data_25439 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25439 _Entry.PDB_ID 2MY1 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 25439 _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 0 0 GLY CA C 0 43.750 43.750 45.857 -2.107 25439 2 1 1 . 1 1 1 1 SER N N 1 117.201 117.201 118.385 -1.184 25439 3 1 1 . 1 1 1 1 SER HA H 1 4.809 4.809 4.924 -0.115 25439 4 1 1 . 1 1 1 1 SER CA C 1 56.525 56.525 56.236 0.289 25439 5 1 1 . 1 1 1 1 SER CB C 1 63.385 63.385 64.373 -0.988 25439 6 1 1 . 1 1 1 1 SER H H 1 8.381 8.381 7.967 0.414 25439 7 1 1 . 1 1 2 2 PRO HA H 2 4.468 4.468 4.468 0.000 25439 8 1 1 . 1 1 2 2 PRO CA C 2 63.292 63.292 62.910 0.383 25439 9 1 1 . 1 1 2 2 PRO CB C 2 32.174 32.174 32.325 -0.151 25439 10 1 1 . 1 1 3 3 ARG N N 3 121.649 121.649 121.048 0.601 25439 11 1 1 . 1 1 3 3 ARG HA H 3 4.324 4.324 4.612 -0.288 25439 12 1 1 . 1 1 3 3 ARG CA C 3 56.226 56.226 56.217 0.010 25439 13 1 1 . 1 1 3 3 ARG CB C 3 30.732 30.732 30.362 0.370 25439 14 1 1 . 1 1 3 3 ARG H H 3 8.428 8.428 8.463 -0.035 25439 15 1 1 . 1 1 4 4 ILE N N 4 122.500 122.500 121.964 0.536 25439 16 1 1 . 1 1 4 4 ILE HA H 4 4.181 4.181 4.309 -0.128 25439 17 1 1 . 1 1 4 4 ILE CA C 4 60.943 60.943 61.666 -0.723 25439 18 1 1 . 1 1 4 4 ILE CB C 4 38.751 38.751 39.825 -1.074 25439 19 1 1 . 1 1 4 4 ILE H H 4 8.165 8.165 8.140 0.025 25439 20 1 1 . 1 1 5 5 LYS N N 5 126.237 126.237 128.900 -2.663 25439 21 1 1 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.642 -0.240 25439 22 1 1 . 1 1 5 5 LYS CA C 5 56.422 56.422 56.444 -0.022 25439 23 1 1 . 1 1 5 5 LYS CB C 5 33.130 33.130 32.837 0.293 25439 24 1 1 . 1 1 5 5 LYS H H 5 8.500 8.500 8.648 -0.148 25439 25 1 1 . 1 1 6 6 THR N N 6 116.495 116.495 114.712 1.783 25439 26 1 1 . 1 1 6 6 THR HA H 6 4.323 4.323 4.561 -0.238 25439 27 1 1 . 1 1 6 6 THR CA C 6 61.918 61.918 61.072 0.846 25439 28 1 1 . 1 1 6 6 THR CB C 6 69.963 69.963 70.502 -0.539 25439 29 1 1 . 1 1 6 6 THR H H 6 8.194 8.194 8.129 0.065 25439 30 1 1 . 1 1 7 7 ARG N N 7 124.128 124.128 122.209 1.919 25439 31 1 1 . 1 1 7 7 ARG HA H 7 4.396 4.396 4.714 -0.318 25439 32 1 1 . 1 1 7 7 ARG CA C 7 56.128 56.128 55.688 0.440 25439 33 1 1 . 1 1 7 7 ARG CB C 7 30.953 30.953 31.318 -0.365 25439 34 1 1 . 1 1 7 7 ARG H H 7 8.458 8.458 8.499 -0.041 25439 35 1 1 . 1 1 8 8 ARG N N 8 123.384 123.384 123.273 0.111 25439 36 1 1 . 1 1 8 8 ARG HA H 8 4.424 4.424 4.928 -0.504 25439 37 1 1 . 1 1 8 8 ARG CA C 8 56.011 56.011 55.044 0.967 25439 38 1 1 . 1 1 8 8 ARG CB C 8 31.058 31.058 31.932 -0.874 25439 39 1 1 . 1 1 8 8 ARG H H 8 8.526 8.526 8.573 -0.047 25439 40 1 1 . 1 1 9 9 SER N N 9 118.446 118.446 115.993 2.453 25439 41 1 1 . 1 1 9 9 SER HA H 9 4.473 4.473 4.440 0.033 25439 42 1 1 . 1 1 9 9 SER CA C 9 58.568 58.568 58.516 0.052 25439 43 1 1 . 1 1 9 9 SER CB C 9 63.986 63.986 64.209 -0.223 25439 44 1 1 . 1 1 9 9 SER H H 9 8.450 8.450 9.031 -0.581 25439 45 1 1 . 1 1 10 10 LYS N N 10 124.117 124.117 122.177 1.940 25439 46 1 1 . 1 1 10 10 LYS HA H 10 4.673 4.673 4.984 -0.311 25439 47 1 1 . 1 1 10 10 LYS CA C 10 54.412 54.412 53.064 1.348 25439 48 1 1 . 1 1 10 10 LYS CB C 10 32.693 32.693 34.362 -1.669 25439 49 1 1 . 1 1 10 10 LYS H H 10 8.426 8.426 8.010 0.416 25439 50 1 1 . 1 1 11 11 PRO HA H 11 4.360 4.360 4.471 -0.111 25439 51 1 1 . 1 1 11 11 PRO CA C 11 62.861 62.861 62.752 0.109 25439 52 1 1 . 1 1 11 11 PRO CB C 11 32.106 32.106 32.257 -0.151 25439 53 1 1 . 1 1 12 12 ALA N N 12 124.420 124.420 122.983 1.437 25439 54 1 1 . 1 1 12 12 ALA HA H 12 2.889 2.889 3.441 -0.552 25439 55 1 1 . 1 1 12 12 ALA CA C 12 49.735 49.735 48.585 1.150 25439 56 1 1 . 1 1 12 12 ALA CB C 12 18.066 18.066 17.494 0.572 25439 57 1 1 . 1 1 12 12 ALA H H 12 7.890 7.890 7.755 0.135 25439 58 1 1 . 1 1 13 13 PRO HA H 13 4.207 4.207 4.447 -0.240 25439 59 1 1 . 1 1 13 13 PRO CA C 13 62.111 62.111 61.826 0.285 25439 60 1 1 . 1 1 13 13 PRO CB C 13 32.582 32.582 32.506 0.076 25439 61 1 1 . 1 1 14 14 ASP N N 14 119.535 119.535 120.496 -0.961 25439 62 1 1 . 1 1 14 14 ASP HA H 14 4.379 4.379 4.290 0.089 25439 63 1 1 . 1 1 14 14 ASP CA C 14 56.427 56.427 57.624 -1.197 25439 64 1 1 . 1 1 14 14 ASP CB C 14 41.177 41.177 40.698 0.479 25439 65 1 1 . 1 1 14 14 ASP H H 14 8.206 8.206 8.720 -0.514 25439 66 1 1 . 1 1 15 15 GLY N N 15 113.273 113.273 108.022 5.251 25439 67 1 1 . 1 1 15 15 GLY CA C 15 45.146 45.146 46.761 -1.615 25439 68 1 1 . 1 1 15 15 GLY H H 15 8.723 8.723 8.515 0.208 25439 69 1 1 . 1 1 16 16 PHE N N 16 123.113 123.113 122.675 0.438 25439 70 1 1 . 1 1 16 16 PHE HA H 16 4.125 4.125 4.267 -0.142 25439 71 1 1 . 1 1 16 16 PHE CA C 16 60.715 60.715 59.424 1.291 25439 72 1 1 . 1 1 16 16 PHE CB C 16 39.639 39.639 39.073 0.566 25439 73 1 1 . 1 1 16 16 PHE H H 16 8.127 8.127 8.290 -0.163 25439 74 1 1 . 1 1 17 17 GLU N N 17 115.695 115.695 119.376 -3.681 25439 75 1 1 . 1 1 17 17 GLU HA H 17 3.768 3.768 3.788 -0.020 25439 76 1 1 . 1 1 17 17 GLU CA C 17 59.234 59.234 59.378 -0.144 25439 77 1 1 . 1 1 17 17 GLU CB C 17 28.495 28.495 29.288 -0.793 25439 78 1 1 . 1 1 17 17 GLU H H 17 9.088 9.088 8.223 0.865 25439 79 1 1 . 1 1 18 18 LYS N N 18 115.887 115.887 117.495 -1.608 25439 80 1 1 . 1 1 18 18 LYS HA H 18 4.165 4.165 4.073 0.092 25439 81 1 1 . 1 1 18 18 LYS CA C 18 58.249 58.249 58.729 -0.480 25439 82 1 1 . 1 1 18 18 LYS CB C 18 32.725 32.725 32.869 -0.144 25439 83 1 1 . 1 1 18 18 LYS H H 18 7.285 7.285 7.762 -0.477 25439 84 1 1 . 1 1 19 19 ILE N N 19 110.277 110.277 111.186 -0.909 25439 85 1 1 . 1 1 19 19 ILE HA H 19 4.722 4.722 4.707 0.015 25439 86 1 1 . 1 1 19 19 ILE CA C 19 61.093 61.093 59.918 1.175 25439 87 1 1 . 1 1 19 19 ILE CB C 19 39.139 39.139 38.203 0.936 25439 88 1 1 . 1 1 19 19 ILE H H 19 7.031 7.031 7.522 -0.491 25439 89 1 1 . 1 1 20 20 LYS N N 20 124.540 124.540 122.737 1.803 25439 90 1 1 . 1 1 20 20 LYS HA H 20 3.603 3.603 3.866 -0.263 25439 91 1 1 . 1 1 20 20 LYS CA C 20 60.917 60.917 59.886 1.031 25439 92 1 1 . 1 1 20 20 LYS CB C 20 30.210 30.210 30.537 -0.327 25439 93 1 1 . 1 1 20 20 LYS H H 20 7.666 7.666 7.532 0.134 25439 94 1 1 . 1 1 21 21 PRO HA H 21 4.292 4.292 4.607 -0.315 25439 95 1 1 . 1 1 21 21 PRO CA C 21 66.990 66.990 65.205 1.785 25439 96 1 1 . 1 1 21 21 PRO CB C 21 30.779 30.779 31.449 -0.670 25439 97 1 1 . 1 1 22 22 THR N N 22 114.917 114.917 115.579 -0.662 25439 98 1 1 . 1 1 22 22 THR HA H 22 3.866 3.866 4.039 -0.173 25439 99 1 1 . 1 1 22 22 THR CA C 22 66.575 66.575 66.672 -0.097 25439 100 1 1 . 1 1 22 22 THR CB C 22 68.731 68.731 68.120 0.611 25439 101 1 1 . 1 1 22 22 THR H H 22 7.331 7.331 8.432 -1.101 25439 102 1 1 . 1 1 23 23 LEU N N 23 120.152 120.152 120.084 0.068 25439 103 1 1 . 1 1 23 23 LEU HA H 23 4.397 4.397 4.151 0.246 25439 104 1 1 . 1 1 23 23 LEU CA C 23 58.740 58.740 57.866 0.874 25439 105 1 1 . 1 1 23 23 LEU CB C 23 40.489 40.489 41.789 -1.300 25439 106 1 1 . 1 1 23 23 LEU H H 23 7.991 7.991 7.573 0.418 25439 107 1 1 . 1 1 24 24 THR N N 24 119.365 119.365 115.468 3.897 25439 108 1 1 . 1 1 24 24 THR HA H 24 4.095 4.095 3.940 0.155 25439 109 1 1 . 1 1 24 24 THR CA C 24 66.834 66.834 66.346 0.488 25439 110 1 1 . 1 1 24 24 THR CB C 24 68.614 68.614 68.051 0.563 25439 111 1 1 . 1 1 24 24 THR H H 24 9.175 9.175 7.558 1.617 25439 112 1 1 . 1 1 25 25 ASP N N 25 122.865 122.865 121.530 1.335 25439 113 1 1 . 1 1 25 25 ASP HA H 25 4.483 4.483 4.317 0.166 25439 114 1 1 . 1 1 25 25 ASP CA C 25 58.158 58.158 57.284 0.874 25439 115 1 1 . 1 1 25 25 ASP CB C 25 40.329 40.329 40.796 -0.467 25439 116 1 1 . 1 1 25 25 ASP H H 25 7.714 7.714 7.722 -0.008 25439 117 1 1 . 1 1 26 26 PHE N N 26 116.182 116.182 118.323 -2.141 25439 118 1 1 . 1 1 26 26 PHE HA H 26 4.457 4.457 4.133 0.324 25439 119 1 1 . 1 1 26 26 PHE CA C 26 62.531 62.531 61.723 0.808 25439 120 1 1 . 1 1 26 26 PHE CB C 26 39.468 39.468 38.892 0.575 25439 121 1 1 . 1 1 26 26 PHE H H 26 7.816 7.816 7.785 0.031 25439 122 1 1 . 1 1 27 27 GLU N N 27 120.107 120.107 118.808 1.299 25439 123 1 1 . 1 1 27 27 GLU HA H 27 4.113 4.113 4.045 0.068 25439 124 1 1 . 1 1 27 27 GLU CA C 27 59.852 59.852 59.718 0.134 25439 125 1 1 . 1 1 27 27 GLU CB C 27 29.692 29.692 29.151 0.541 25439 126 1 1 . 1 1 27 27 GLU H H 27 8.068 8.068 7.984 0.084 25439 127 1 1 . 1 1 28 28 ILE N N 28 121.494 121.494 120.216 1.278 25439 128 1 1 . 1 1 28 28 ILE HA H 28 3.718 3.718 3.724 -0.006 25439 129 1 1 . 1 1 28 28 ILE CA C 28 65.002 65.002 64.969 0.033 25439 130 1 1 . 1 1 28 28 ILE CB C 28 38.023 38.023 37.981 0.042 25439 131 1 1 . 1 1 28 28 ILE H H 28 8.531 8.531 7.545 0.986 25439 132 1 1 . 1 1 29 29 GLN N N 29 118.941 118.941 119.955 -1.014 25439 133 1 1 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.047 0.133 25439 134 1 1 . 1 1 29 29 GLN CA C 29 59.507 59.507 58.884 0.623 25439 135 1 1 . 1 1 29 29 GLN CB C 29 29.783 29.783 28.755 1.028 25439 136 1 1 . 1 1 29 29 GLN H H 29 8.117 8.117 7.469 0.648 25439 137 1 1 . 1 1 30 30 LEU N N 30 121.724 121.724 121.060 0.664 25439 138 1 1 . 1 1 30 30 LEU HA H 30 4.032 4.032 4.025 0.007 25439 139 1 1 . 1 1 30 30 LEU CA C 30 58.333 58.333 58.239 0.094 25439 140 1 1 . 1 1 30 30 LEU CB C 30 42.339 42.339 41.952 0.387 25439 141 1 1 . 1 1 30 30 LEU H H 30 8.677 8.677 8.800 -0.123 25439 142 1 1 . 1 1 31 31 ARG N N 31 120.629 120.629 119.163 1.466 25439 143 1 1 . 1 1 31 31 ARG HA H 31 4.105 4.105 3.988 0.117 25439 144 1 1 . 1 1 31 31 ARG CA C 31 59.340 59.340 60.009 -0.669 25439 145 1 1 . 1 1 31 31 ARG CB C 31 30.044 30.044 29.659 0.385 25439 146 1 1 . 1 1 31 31 ARG H H 31 8.227 8.227 8.551 -0.324 25439 147 1 1 . 1 1 32 32 ASP N N 32 120.233 120.233 120.117 0.116 25439 148 1 1 . 1 1 32 32 ASP HA H 32 4.484 4.484 4.313 0.171 25439 149 1 1 . 1 1 32 32 ASP CA C 32 57.199 57.199 57.943 -0.744 25439 150 1 1 . 1 1 32 32 ASP CB C 32 40.202 40.202 40.547 -0.345 25439 151 1 1 . 1 1 32 32 ASP H H 32 8.407 8.407 7.673 0.734 25439 152 1 1 . 1 1 33 33 ALA N N 33 121.939 121.939 122.454 -0.515 25439 153 1 1 . 1 1 33 33 ALA HA H 33 4.321 4.321 4.027 0.294 25439 154 1 1 . 1 1 33 33 ALA CA C 33 54.207 54.207 54.906 -0.698 25439 155 1 1 . 1 1 33 33 ALA CB C 33 18.738 18.738 18.496 0.242 25439 156 1 1 . 1 1 33 33 ALA H H 33 8.057 8.057 7.412 0.645 25439 157 1 1 . 1 1 34 34 GLN N N 34 114.736 114.736 117.460 -2.724 25439 158 1 1 . 1 1 34 34 GLN HA H 34 4.248 4.248 3.954 0.294 25439 159 1 1 . 1 1 34 34 GLN CA C 34 56.567 56.567 58.831 -2.264 25439 160 1 1 . 1 1 34 34 GLN CB C 34 29.743 29.743 28.677 1.066 25439 161 1 1 . 1 1 34 34 GLN H H 34 7.746 7.746 8.654 -0.908 25439 162 1 1 . 1 1 35 35 LYS N N 35 120.534 120.534 119.004 1.530 25439 163 1 1 . 1 1 35 35 LYS HA H 35 4.232 4.232 4.099 0.133 25439 164 1 1 . 1 1 35 35 LYS CA C 35 57.427 57.427 59.135 -1.708 25439 165 1 1 . 1 1 35 35 LYS CB C 35 32.887 32.887 32.139 0.748 25439 166 1 1 . 1 1 35 35 LYS H H 35 7.570 7.570 8.228 -0.658 25439 167 1 1 . 1 1 36 36 ASP N N 36 120.943 120.943 119.627 1.316 25439 168 1 1 . 1 1 36 36 ASP HA H 36 4.595 4.595 4.610 -0.015 25439 169 1 1 . 1 1 36 36 ASP CA C 36 54.983 54.983 57.129 -2.146 25439 170 1 1 . 1 1 36 36 ASP CB C 36 41.129 41.129 40.521 0.608 25439 171 1 1 . 1 1 36 36 ASP H H 36 8.375 8.375 7.819 0.556 25439 172 1 1 . 1 1 37 37 LYS N N 37 122.598 122.598 118.587 4.011 25439 173 1 1 . 1 1 37 37 LYS HA H 37 4.365 4.365 4.066 0.299 25439 174 1 1 . 1 1 37 37 LYS CA C 37 56.725 56.725 58.739 -2.014 25439 175 1 1 . 1 1 37 37 LYS CB C 37 32.823 32.823 32.667 0.156 25439 176 1 1 . 1 1 37 37 LYS H H 37 8.446 8.446 7.745 0.701 25439 177 1 1 . 1 1 38 38 SER N N 38 115.849 115.849 111.642 4.207 25439 178 1 1 . 1 1 38 38 SER HA H 38 4.423 4.423 4.444 -0.021 25439 179 1 1 . 1 1 38 38 SER CA C 38 59.193 59.193 58.755 0.438 25439 180 1 1 . 1 1 38 38 SER CB C 38 63.744 63.744 64.519 -0.775 25439 181 1 1 . 1 1 38 38 SER H H 38 8.392 8.392 7.667 0.725 25439 182 1 1 . 1 1 39 39 SER N N 39 117.258 117.258 117.595 -0.337 25439 183 1 1 . 1 1 39 39 SER HA H 39 4.445 4.445 4.677 -0.232 25439 184 1 1 . 1 1 39 39 SER CA C 39 58.933 58.933 57.830 1.103 25439 185 1 1 . 1 1 39 39 SER CB C 39 63.711 63.711 65.163 -1.452 25439 186 1 1 . 1 1 39 39 SER H H 39 8.283 8.283 8.160 0.123 25439 187 1 1 . 1 1 40 40 LYS N N 40 122.427 122.427 122.057 0.370 25439 188 1 1 . 1 1 40 40 LYS HA H 40 4.321 4.321 4.001 0.320 25439 189 1 1 . 1 1 40 40 LYS CA C 40 56.847 56.847 57.231 -0.384 25439 190 1 1 . 1 1 40 40 LYS CB C 40 32.764 32.764 31.792 0.972 25439 191 1 1 . 1 1 40 40 LYS H H 40 8.263 8.263 8.764 -0.501 25439 192 1 1 . 1 1 41 41 LEU N N 41 121.281 121.281 118.428 2.853 25439 193 1 1 . 1 1 41 41 LEU HA H 41 4.308 4.308 4.717 -0.409 25439 194 1 1 . 1 1 41 41 LEU CA C 41 55.335 55.335 54.356 0.979 25439 195 1 1 . 1 1 41 41 LEU CB C 41 42.212 42.212 41.919 0.293 25439 196 1 1 . 1 1 41 41 LEU H H 41 8.068 8.068 7.992 0.076 25439 197 1 1 . 1 1 42 42 ALA N N 42 123.964 123.964 124.727 -0.763 25439 198 1 1 . 1 1 42 42 ALA HA H 42 4.274 4.274 4.489 -0.215 25439 199 1 1 . 1 1 42 42 ALA CA C 42 52.851 52.851 52.112 0.739 25439 200 1 1 . 1 1 42 42 ALA CB C 42 19.135 19.135 19.151 -0.015 25439 201 1 1 . 1 1 42 42 ALA H H 42 8.111 8.111 8.255 -0.144 25439 202 1 1 . 1 1 43 43 ALA N N 43 122.146 122.146 121.640 0.506 25439 203 1 1 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.585 -0.288 25439 204 1 1 . 1 1 43 43 ALA CA C 43 52.727 52.727 51.575 1.153 25439 205 1 1 . 1 1 43 43 ALA CB C 43 19.318 19.318 19.997 -0.679 25439 206 1 1 . 1 1 43 43 ALA H H 43 8.101 8.101 7.667 0.434 25439 207 1 1 . 1 1 44 44 LYS N N 44 119.454 119.454 121.017 -1.563 25439 208 1 1 . 1 1 44 44 LYS HA H 44 4.349 4.349 3.954 0.395 25439 209 1 1 . 1 1 44 44 LYS CA C 44 56.267 56.267 56.615 -0.348 25439 210 1 1 . 1 1 44 44 LYS CB C 44 32.825 32.825 31.426 1.399 25439 211 1 1 . 1 1 44 44 LYS H H 44 8.198 8.198 8.619 -0.421 25439 212 1 1 . 1 1 45 45 SER N N 45 116.660 116.660 114.968 1.692 25439 213 1 1 . 1 1 45 45 SER HA H 45 4.368 4.368 4.385 -0.017 25439 214 1 1 . 1 1 45 45 SER CA C 45 58.477 58.477 58.809 -0.332 25439 215 1 1 . 1 1 45 45 SER CB C 45 64.063 64.063 63.864 0.199 25439 216 1 1 . 1 1 45 45 SER H H 45 8.251 8.251 8.385 -0.134 25439 217 1 1 . 1 1 46 46 ASN N N 46 120.516 120.516 119.827 0.689 25439 218 1 1 . 1 1 46 46 ASN HA H 46 4.361 4.361 4.133 0.228 25439 219 1 1 . 1 1 46 46 ASN CA C 46 54.657 54.657 55.707 -1.050 25439 220 1 1 . 1 1 46 46 ASN CB C 46 37.649 37.649 37.501 0.148 25439 221 1 1 . 1 1 46 46 ASN H H 46 8.498 8.498 8.452 0.046 25439 222 1 1 . 1 1 47 47 GLU N N 47 117.964 117.964 118.232 -0.268 25439 223 1 1 . 1 1 47 47 GLU HA H 47 3.350 3.350 3.370 -0.020 25439 224 1 1 . 1 1 47 47 GLU CA C 47 59.213 59.213 59.156 0.057 25439 225 1 1 . 1 1 47 47 GLU CB C 47 28.998 28.998 28.870 0.128 25439 226 1 1 . 1 1 47 47 GLU H H 47 8.016 8.016 8.308 -0.292 25439 227 1 1 . 1 1 48 48 GLN N N 48 119.468 119.468 119.546 -0.078 25439 228 1 1 . 1 1 48 48 GLN HA H 48 4.250 4.250 4.029 0.221 25439 229 1 1 . 1 1 48 48 GLN CA C 48 58.529 58.529 58.714 -0.185 25439 230 1 1 . 1 1 48 48 GLN CB C 48 28.902 28.902 28.261 0.641 25439 231 1 1 . 1 1 48 48 GLN H H 48 7.892 7.892 7.270 0.622 25439 232 1 1 . 1 1 49 49 LEU N N 49 120.145 120.145 119.543 0.602 25439 233 1 1 . 1 1 49 49 LEU HA H 49 4.232 4.232 4.027 0.205 25439 234 1 1 . 1 1 49 49 LEU CA C 49 57.479 57.479 57.494 -0.015 25439 235 1 1 . 1 1 49 49 LEU CB C 49 41.391 41.391 41.621 -0.230 25439 236 1 1 . 1 1 49 49 LEU H H 49 7.699 7.699 7.397 0.302 25439 237 1 1 . 1 1 50 50 TRP N N 50 119.596 119.596 119.000 0.596 25439 238 1 1 . 1 1 50 50 TRP HA H 50 4.520 4.520 4.415 0.105 25439 239 1 1 . 1 1 50 50 TRP CA C 50 58.353 58.353 57.239 1.114 25439 240 1 1 . 1 1 50 50 TRP CB C 50 28.880 28.880 28.116 0.764 25439 241 1 1 . 1 1 50 50 TRP H H 50 8.385 8.385 7.814 0.571 25439 242 1 1 . 1 1 51 51 GLU N N 51 119.362 119.362 119.835 -0.473 25439 243 1 1 . 1 1 51 51 GLU HA H 51 4.145 4.145 4.378 -0.233 25439 244 1 1 . 1 1 51 51 GLU CA C 51 60.035 60.035 59.182 0.853 25439 245 1 1 . 1 1 51 51 GLU CB C 51 29.675 29.675 29.603 0.072 25439 246 1 1 . 1 1 51 51 GLU H H 51 8.223 8.223 7.939 0.284 25439 247 1 1 . 1 1 52 52 ILE N N 52 119.018 119.018 119.424 -0.406 25439 248 1 1 . 1 1 52 52 ILE HA H 52 3.673 3.673 3.729 -0.056 25439 249 1 1 . 1 1 52 52 ILE CA C 52 65.511 65.511 65.131 0.380 25439 250 1 1 . 1 1 52 52 ILE CB C 52 38.532 38.532 38.116 0.416 25439 251 1 1 . 1 1 52 52 ILE H H 52 7.801 7.801 7.463 0.338 25439 252 1 1 . 1 1 53 53 MET N N 53 118.133 118.133 117.092 1.041 25439 253 1 1 . 1 1 53 53 MET HA H 53 4.452 4.452 4.071 0.381 25439 254 1 1 . 1 1 53 53 MET CA C 53 58.216 58.216 58.625 -0.409 25439 255 1 1 . 1 1 53 53 MET CB C 53 31.838 31.838 31.911 -0.073 25439 256 1 1 . 1 1 53 53 MET H H 53 8.411 8.411 7.896 0.515 25439 257 1 1 . 1 1 54 54 GLN N N 54 120.855 120.855 119.246 1.609 25439 258 1 1 . 1 1 54 54 GLN HA H 54 4.333 4.333 3.973 0.360 25439 259 1 1 . 1 1 54 54 GLN CA C 54 59.004 59.004 58.344 0.660 25439 260 1 1 . 1 1 54 54 GLN CB C 54 27.824 27.824 28.873 -1.049 25439 261 1 1 . 1 1 54 54 GLN H H 54 8.860 8.860 8.239 0.621 25439 262 1 1 . 1 1 55 55 LEU N N 55 122.788 122.788 120.044 2.744 25439 263 1 1 . 1 1 55 55 LEU HA H 55 4.302 4.302 4.161 0.141 25439 264 1 1 . 1 1 55 55 LEU CA C 55 58.685 58.685 58.109 0.576 25439 265 1 1 . 1 1 55 55 LEU CB C 55 42.695 42.695 41.894 0.801 25439 266 1 1 . 1 1 55 55 LEU H H 55 8.298 8.298 7.976 0.322 25439 267 1 1 . 1 1 56 56 HIS N N 56 118.426 118.426 117.589 0.837 25439 268 1 1 . 1 1 56 56 HIS HA H 56 4.317 4.317 4.119 0.198 25439 269 1 1 . 1 1 56 56 HIS CA C 56 60.732 60.732 60.331 0.401 25439 270 1 1 . 1 1 56 56 HIS CB C 56 30.530 30.530 29.684 0.846 25439 271 1 1 . 1 1 56 56 HIS H H 56 8.416 8.416 7.811 0.605 25439 272 1 1 . 1 1 57 57 HIS N N 57 121.197 121.197 119.036 2.161 25439 273 1 1 . 1 1 57 57 HIS HA H 57 4.318 4.318 4.507 -0.189 25439 274 1 1 . 1 1 57 57 HIS CA C 57 60.739 60.739 58.920 1.819 25439 275 1 1 . 1 1 57 57 HIS CB C 57 28.726 28.726 30.203 -1.477 25439 276 1 1 . 1 1 57 57 HIS H H 57 8.608 8.608 8.158 0.450 25439 277 1 1 . 1 1 58 58 GLN N N 58 118.739 118.739 118.567 0.172 25439 278 1 1 . 1 1 58 58 GLN HA H 58 4.202 4.202 4.161 0.041 25439 279 1 1 . 1 1 58 58 GLN CA C 58 59.507 59.507 59.252 0.255 25439 280 1 1 . 1 1 58 58 GLN CB C 58 29.111 29.111 28.223 0.888 25439 281 1 1 . 1 1 58 58 GLN H H 58 9.206 9.206 8.569 0.637 25439 282 1 1 . 1 1 59 59 ARG N N 59 122.498 122.498 119.344 3.154 25439 283 1 1 . 1 1 59 59 ARG HA H 59 3.437 3.437 3.886 -0.449 25439 284 1 1 . 1 1 59 59 ARG CA C 59 60.361 60.361 59.029 1.332 25439 285 1 1 . 1 1 59 59 ARG H H 59 8.623 8.623 7.944 0.679 25439 286 1 1 . 1 1 60 60 SER N N 60 114.930 114.930 115.250 -0.320 25439 287 1 1 . 1 1 60 60 SER HA H 60 4.515 4.515 4.309 0.206 25439 288 1 1 . 1 1 60 60 SER CA C 60 64.832 64.832 61.651 3.182 25439 289 1 1 . 1 1 60 60 SER CB C 60 63.583 63.583 63.181 0.402 25439 290 1 1 . 1 1 60 60 SER H H 60 7.993 7.993 8.331 -0.338 25439 291 1 1 . 1 1 61 61 ARG N N 61 124.417 124.417 122.495 1.922 25439 292 1 1 . 1 1 61 61 ARG HA H 61 4.204 4.204 4.075 0.129 25439 293 1 1 . 1 1 61 61 ARG CA C 61 58.852 58.852 59.739 -0.887 25439 294 1 1 . 1 1 61 61 ARG CB C 61 29.077 29.077 30.203 -1.126 25439 295 1 1 . 1 1 61 61 ARG H H 61 9.569 9.569 8.516 1.053 25439 296 1 1 . 1 1 62 62 TYR N N 62 124.484 124.484 121.373 3.111 25439 297 1 1 . 1 1 62 62 TYR HA H 62 4.676 4.676 4.292 0.384 25439 298 1 1 . 1 1 62 62 TYR CA C 62 61.006 61.006 62.270 -1.264 25439 299 1 1 . 1 1 62 62 TYR CB C 62 38.392 38.392 38.771 -0.379 25439 300 1 1 . 1 1 62 62 TYR H H 62 8.622 8.622 8.380 0.242 25439 301 1 1 . 1 1 63 63 ILE N N 63 119.789 119.789 119.012 0.777 25439 302 1 1 . 1 1 63 63 ILE HA H 63 3.492 3.492 3.761 -0.269 25439 303 1 1 . 1 1 63 63 ILE CA C 63 65.693 65.693 65.587 0.106 25439 304 1 1 . 1 1 63 63 ILE CB C 63 38.023 38.023 38.239 -0.216 25439 305 1 1 . 1 1 63 63 ILE H H 63 7.588 7.588 8.432 -0.844 25439 306 1 1 . 1 1 64 64 TYR N N 64 120.485 120.485 121.553 -1.068 25439 307 1 1 . 1 1 64 64 TYR HA H 64 4.577 4.577 4.275 0.302 25439 308 1 1 . 1 1 64 64 TYR CA C 64 61.759 61.759 62.818 -1.059 25439 309 1 1 . 1 1 64 64 TYR CB C 64 39.772 39.772 38.555 1.217 25439 310 1 1 . 1 1 64 64 TYR H H 64 9.166 9.166 9.195 -0.029 25439 311 1 1 . 1 1 65 65 THR N N 65 117.072 117.072 117.502 -0.430 25439 312 1 1 . 1 1 65 65 THR HA H 65 3.562 3.562 4.042 -0.480 25439 313 1 1 . 1 1 65 65 THR CA C 65 67.016 67.016 68.284 -1.268 25439 314 1 1 . 1 1 65 65 THR CB C 65 68.711 68.711 68.741 -0.030 25439 315 1 1 . 1 1 65 65 THR H H 65 8.987 8.987 8.868 0.119 25439 316 1 1 . 1 1 66 66 LEU N N 66 122.107 122.107 120.525 1.582 25439 317 1 1 . 1 1 66 66 LEU HA H 66 3.782 3.782 4.289 -0.507 25439 318 1 1 . 1 1 66 66 LEU CA C 66 58.476 58.476 58.117 0.359 25439 319 1 1 . 1 1 66 66 LEU CB C 66 43.183 43.183 41.025 2.159 25439 320 1 1 . 1 1 66 66 LEU H H 66 8.286 8.286 7.671 0.615 25439 321 1 1 . 1 1 67 67 TYR N N 67 115.264 115.264 119.488 -4.224 25439 322 1 1 . 1 1 67 67 TYR HA H 67 4.344 4.344 4.051 0.293 25439 323 1 1 . 1 1 67 67 TYR CA C 67 60.830 60.830 61.464 -0.634 25439 324 1 1 . 1 1 67 67 TYR CB C 67 40.376 40.376 39.393 0.983 25439 325 1 1 . 1 1 67 67 TYR H H 67 7.983 7.983 8.142 -0.159 25439 326 1 1 . 1 1 68 68 TYR N N 68 113.945 113.945 116.691 -2.746 25439 327 1 1 . 1 1 68 68 TYR HA H 68 3.699 3.699 4.222 -0.523 25439 328 1 1 . 1 1 68 68 TYR CA C 68 62.030 62.030 60.352 1.678 25439 329 1 1 . 1 1 68 68 TYR CB C 68 38.046 38.046 38.763 -0.717 25439 330 1 1 . 1 1 68 68 TYR H H 68 8.297 8.297 8.267 0.030 25439 331 1 1 . 1 1 69 69 LYS N N 69 114.346 114.346 118.654 -4.308 25439 332 1 1 . 1 1 69 69 LYS HA H 69 4.564 4.564 4.405 0.159 25439 333 1 1 . 1 1 69 69 LYS CA C 69 56.821 56.821 56.797 0.024 25439 334 1 1 . 1 1 69 69 LYS CB C 69 31.980 31.980 33.636 -1.656 25439 335 1 1 . 1 1 69 69 LYS H H 69 7.084 7.084 7.582 -0.498 25439 336 1 1 . 1 1 70 70 ARG N N 70 114.676 114.676 119.683 -5.007 25439 337 1 1 . 1 1 70 70 ARG HA H 70 4.251 4.251 4.112 0.139 25439 338 1 1 . 1 1 70 70 ARG CA C 70 56.314 56.314 57.568 -1.254 25439 339 1 1 . 1 1 70 70 ARG CB C 70 31.128 31.128 30.750 0.378 25439 340 1 1 . 1 1 70 70 ARG H H 70 8.178 8.178 8.174 0.004 25439 341 1 1 . 1 1 71 71 LYS N N 71 115.371 115.371 114.834 0.537 25439 342 1 1 . 1 1 71 71 LYS HA H 71 4.036 4.036 3.803 0.233 25439 343 1 1 . 1 1 71 71 LYS CA C 71 57.121 57.121 57.048 0.073 25439 344 1 1 . 1 1 71 71 LYS CB C 71 28.897 28.897 29.771 -0.874 25439 345 1 1 . 1 1 71 71 LYS H H 71 6.843 6.843 7.878 -1.035 25439 346 1 1 . 1 1 72 72 ALA N N 72 117.701 117.701 121.538 -3.837 25439 347 1 1 . 1 1 72 72 ALA HA H 72 4.395 4.395 4.430 -0.035 25439 348 1 1 . 1 1 72 72 ALA CA C 72 52.597 52.597 51.733 0.864 25439 349 1 1 . 1 1 72 72 ALA CB C 72 21.560 21.560 19.745 1.815 25439 350 1 1 . 1 1 72 72 ALA H H 72 8.560 8.560 7.616 0.944 25439 351 1 1 . 1 1 73 73 ILE N N 73 107.605 107.605 117.297 -9.692 25439 352 1 1 . 1 1 73 73 ILE CB C 73 42.724 42.724 41.293 1.431 25439 353 1 1 . 1 1 73 73 ILE H H 73 7.074 7.074 7.346 -0.272 25439 354 1 1 . 1 1 74 74 SER N N 74 118.425 118.425 117.659 0.766 25439 355 1 1 . 1 1 74 74 SER HA H 74 4.484 4.484 4.876 -0.392 25439 356 1 1 . 1 1 74 74 SER CA C 74 57.082 57.082 56.541 0.541 25439 357 1 1 . 1 1 74 74 SER CB C 74 65.396 65.396 64.510 0.886 25439 358 1 1 . 1 1 74 74 SER H H 74 8.797 8.797 8.463 0.334 25439 359 1 1 . 1 1 75 75 LYS N N 75 121.891 121.891 126.666 -4.775 25439 360 1 1 . 1 1 75 75 LYS HA H 75 3.851 3.851 4.219 -0.368 25439 361 1 1 . 1 1 75 75 LYS CA C 75 59.624 59.624 60.116 -0.492 25439 362 1 1 . 1 1 75 75 LYS CB C 75 32.368 32.368 32.620 -0.251 25439 363 1 1 . 1 1 75 75 LYS H H 75 9.024 9.024 9.075 -0.051 25439 364 1 1 . 1 1 76 76 ASP N N 76 115.908 115.908 119.281 -3.373 25439 365 1 1 . 1 1 76 76 ASP HA H 76 4.423 4.423 4.378 0.045 25439 366 1 1 . 1 1 76 76 ASP CA C 76 57.362 57.362 57.577 -0.214 25439 367 1 1 . 1 1 76 76 ASP CB C 76 40.391 40.391 40.251 0.140 25439 368 1 1 . 1 1 76 76 ASP H H 76 8.161 8.161 8.299 -0.138 25439 369 1 1 . 1 1 77 77 LEU N N 77 121.705 121.705 121.418 0.287 25439 370 1 1 . 1 1 77 77 LEU HA H 77 4.180 4.180 4.133 0.047 25439 371 1 1 . 1 1 77 77 LEU CA C 77 57.818 57.818 57.795 0.023 25439 372 1 1 . 1 1 77 77 LEU H H 77 8.345 8.345 7.753 0.592 25439 373 1 1 . 1 1 78 78 TYR N N 78 121.511 121.511 119.831 1.680 25439 374 1 1 . 1 1 78 78 TYR HA H 78 3.789 3.789 3.994 -0.205 25439 375 1 1 . 1 1 78 78 TYR CA C 78 62.857 62.857 60.638 2.219 25439 376 1 1 . 1 1 78 78 TYR CB C 78 38.369 38.369 37.779 0.590 25439 377 1 1 . 1 1 78 78 TYR H H 78 8.598 8.598 8.614 -0.016 25439 378 1 1 . 1 1 79 79 ASP N N 79 117.189 117.189 119.732 -2.543 25439 379 1 1 . 1 1 79 79 ASP HA H 79 4.066 4.066 4.019 0.047 25439 380 1 1 . 1 1 79 79 ASP CA C 79 57.219 57.219 57.339 -0.120 25439 381 1 1 . 1 1 79 79 ASP CB C 79 40.003 40.003 40.730 -0.727 25439 382 1 1 . 1 1 79 79 ASP H H 79 9.106 9.106 8.538 0.568 25439 383 1 1 . 1 1 80 80 TRP N N 80 123.400 123.400 122.616 0.784 25439 384 1 1 . 1 1 80 80 TRP HA H 80 4.160 4.160 4.078 0.082 25439 385 1 1 . 1 1 80 80 TRP CA C 80 62.368 62.368 61.760 0.608 25439 386 1 1 . 1 1 80 80 TRP CB C 80 29.969 29.969 29.326 0.643 25439 387 1 1 . 1 1 80 80 TRP H H 80 7.931 7.931 8.493 -0.562 25439 388 1 1 . 1 1 81 81 LEU N N 81 119.674 119.674 118.793 0.881 25439 389 1 1 . 1 1 81 81 LEU HA H 81 3.971 3.971 2.732 1.239 25439 390 1 1 . 1 1 81 81 LEU CA C 81 58.294 58.294 57.604 0.690 25439 391 1 1 . 1 1 81 81 LEU CB C 81 41.818 41.818 41.599 0.219 25439 392 1 1 . 1 1 81 81 LEU H H 81 8.814 8.814 8.060 0.754 25439 393 1 1 . 1 1 82 82 ILE N N 82 118.746 118.746 118.384 0.362 25439 394 1 1 . 1 1 82 82 ILE HA H 82 3.861 3.861 3.724 0.137 25439 395 1 1 . 1 1 82 82 ILE CA C 82 62.734 62.734 63.099 -0.364 25439 396 1 1 . 1 1 82 82 ILE CB C 82 36.236 36.236 36.274 -0.038 25439 397 1 1 . 1 1 82 82 ILE H H 82 7.886 7.886 7.600 0.286 25439 398 1 1 . 1 1 83 83 LYS N N 83 124.819 124.819 119.178 5.641 25439 399 1 1 . 1 1 83 83 LYS HA H 83 3.911 3.911 4.129 -0.218 25439 400 1 1 . 1 1 83 83 LYS CA C 83 59.643 59.643 57.632 2.011 25439 401 1 1 . 1 1 83 83 LYS CB C 83 32.027 32.027 32.825 -0.798 25439 402 1 1 . 1 1 83 83 LYS H H 83 8.224 8.224 7.669 0.555 25439 403 1 1 . 1 1 84 84 GLU N N 84 115.404 115.404 117.826 -2.422 25439 404 1 1 . 1 1 84 84 GLU HA H 84 3.841 3.841 4.316 -0.475 25439 405 1 1 . 1 1 84 84 GLU CA C 84 55.582 55.582 54.498 1.084 25439 406 1 1 . 1 1 84 84 GLU CB C 84 29.459 29.459 28.576 0.883 25439 407 1 1 . 1 1 84 84 GLU H H 84 8.138 8.138 7.302 0.836 25439 408 1 1 . 1 1 85 85 LYS N N 85 111.563 111.563 118.936 -7.373 25439 409 1 1 . 1 1 85 85 LYS HA H 85 3.820 3.820 3.994 -0.174 25439 410 1 1 . 1 1 85 85 LYS CA C 85 57.890 57.890 57.252 0.638 25439 411 1 1 . 1 1 85 85 LYS CB C 85 28.005 28.005 30.522 -2.517 25439 412 1 1 . 1 1 85 85 LYS H H 85 7.719 7.719 7.833 -0.114 25439 413 1 1 . 1 1 86 86 TYR N N 86 116.916 116.916 118.458 -1.542 25439 414 1 1 . 1 1 86 86 TYR HA H 86 4.137 4.137 4.455 -0.318 25439 415 1 1 . 1 1 86 86 TYR CA C 86 61.228 61.228 59.056 2.172 25439 416 1 1 . 1 1 86 86 TYR CB C 86 39.535 39.535 41.121 -1.586 25439 417 1 1 . 1 1 86 86 TYR H H 86 8.521 8.521 8.086 0.435 25439 418 1 1 . 1 1 87 87 ALA N N 87 113.715 113.715 119.544 -5.829 25439 419 1 1 . 1 1 87 87 ALA HA H 87 4.738 4.738 4.434 0.304 25439 420 1 1 . 1 1 87 87 ALA CA C 87 49.121 49.121 50.407 -1.286 25439 421 1 1 . 1 1 87 87 ALA CB C 87 23.295 23.295 21.274 2.021 25439 422 1 1 . 1 1 87 87 ALA H H 87 6.959 6.959 7.675 -0.716 25439 423 1 1 . 1 1 88 88 ASP N N 88 119.344 119.344 118.826 0.518 25439 424 1 1 . 1 1 88 88 ASP HA H 88 4.544 4.544 4.933 -0.389 25439 425 1 1 . 1 1 88 88 ASP CA C 88 52.714 52.714 53.314 -0.600 25439 426 1 1 . 1 1 88 88 ASP CB C 88 41.845 41.845 43.476 -1.631 25439 427 1 1 . 1 1 88 88 ASP H H 88 7.870 7.870 8.616 -0.746 25439 428 1 1 . 1 1 89 89 LYS N N 89 125.312 125.312 126.039 -0.727 25439 429 1 1 . 1 1 89 89 LYS HA H 89 3.834 3.834 4.244 -0.410 25439 430 1 1 . 1 1 89 89 LYS CA C 89 59.409 59.409 58.658 0.751 25439 431 1 1 . 1 1 89 89 LYS CB C 89 32.848 32.848 32.641 0.207 25439 432 1 1 . 1 1 89 89 LYS H H 89 8.467 8.467 8.740 -0.273 25439 433 1 1 . 1 1 90 90 LEU N N 90 119.899 119.899 121.151 -1.252 25439 434 1 1 . 1 1 90 90 LEU HA H 90 4.023 4.023 4.032 -0.009 25439 435 1 1 . 1 1 90 90 LEU CA C 90 57.049 57.049 57.873 -0.824 25439 436 1 1 . 1 1 90 90 LEU CB C 90 41.099 41.099 41.641 -0.542 25439 437 1 1 . 1 1 90 90 LEU H H 90 8.076 8.076 7.869 0.207 25439 438 1 1 . 1 1 91 91 LEU N N 91 123.148 123.148 120.149 2.999 25439 439 1 1 . 1 1 91 91 LEU HA H 91 3.498 3.498 3.741 -0.243 25439 440 1 1 . 1 1 91 91 LEU CA C 91 56.971 56.971 57.819 -0.848 25439 441 1 1 . 1 1 91 91 LEU CB C 91 41.823 41.823 41.730 0.093 25439 442 1 1 . 1 1 91 91 LEU H H 91 7.120 7.120 7.904 -0.784 25439 443 1 1 . 1 1 92 92 ILE N N 92 116.780 116.780 118.497 -1.717 25439 444 1 1 . 1 1 92 92 ILE HA H 92 3.265 3.265 3.862 -0.597 25439 445 1 1 . 1 1 92 92 ILE CA C 92 65.178 65.178 65.282 -0.104 25439 446 1 1 . 1 1 92 92 ILE CB C 92 38.209 38.209 37.748 0.461 25439 447 1 1 . 1 1 92 92 ILE H H 92 7.384 7.384 7.743 -0.359 25439 448 1 1 . 1 1 93 93 ALA N N 93 117.061 117.061 122.655 -5.594 25439 449 1 1 . 1 1 93 93 ALA HA H 93 3.930 3.930 4.050 -0.120 25439 450 1 1 . 1 1 93 93 ALA CA C 93 54.839 54.839 55.429 -0.590 25439 451 1 1 . 1 1 93 93 ALA CB C 93 18.125 18.125 18.094 0.031 25439 452 1 1 . 1 1 93 93 ALA H H 93 7.437 7.437 8.431 -0.994 25439 453 1 1 . 1 1 94 94 LYS N N 94 116.036 116.036 118.618 -2.582 25439 454 1 1 . 1 1 94 94 LYS HA H 94 3.803 3.803 3.429 0.373 25439 455 1 1 . 1 1 94 94 LYS CA C 94 56.945 56.945 59.040 -2.095 25439 456 1 1 . 1 1 94 94 LYS CB C 94 31.047 31.047 31.709 -0.662 25439 457 1 1 . 1 1 94 94 LYS H H 94 7.012 7.012 7.734 -0.722 25439 458 1 1 . 1 1 95 95 TRP N N 95 118.700 118.700 116.743 1.957 25439 459 1 1 . 1 1 95 95 TRP HA H 95 4.814 4.814 4.544 0.270 25439 460 1 1 . 1 1 95 95 TRP CA C 95 57.136 57.136 58.863 -1.727 25439 461 1 1 . 1 1 95 95 TRP CB C 95 28.171 28.171 29.292 -1.121 25439 462 1 1 . 1 1 95 95 TRP H H 95 7.611 7.611 7.548 0.063 25439 463 1 1 . 1 1 96 96 ARG N N 96 113.031 113.031 116.844 -3.813 25439 464 1 1 . 1 1 96 96 ARG HA H 96 4.233 4.233 4.171 0.062 25439 465 1 1 . 1 1 96 96 ARG CA C 96 56.234 56.234 58.354 -2.120 25439 466 1 1 . 1 1 96 96 ARG CB C 96 30.245 30.245 30.441 -0.196 25439 467 1 1 . 1 1 96 96 ARG H H 96 7.066 7.066 7.655 -0.589 25439 468 1 1 . 1 1 97 97 LYS N N 97 123.252 123.252 118.614 4.638 25439 469 1 1 . 1 1 97 97 LYS HA H 97 4.634 4.634 4.289 0.345 25439 470 1 1 . 1 1 97 97 LYS CA C 97 54.937 54.937 57.233 -2.296 25439 471 1 1 . 1 1 97 97 LYS CB C 97 34.166 34.166 32.808 1.358 25439 472 1 1 . 1 1 97 97 LYS H H 97 8.467 8.467 8.116 0.351 25439 473 1 1 . 1 1 98 98 THR N N 98 119.993 119.993 113.106 6.887 25439 474 1 1 . 1 1 98 98 THR HA H 98 4.224 4.224 4.495 -0.271 25439 475 1 1 . 1 1 98 98 THR CA C 98 64.670 64.670 61.861 2.809 25439 476 1 1 . 1 1 98 98 THR CB C 98 69.200 69.200 68.907 0.293 25439 477 1 1 . 1 1 98 98 THR H H 98 8.329 8.329 8.289 0.040 25439 478 1 1 . 1 1 99 99 GLY N N 99 116.645 116.645 113.516 3.129 25439 479 1 1 . 1 1 99 99 GLY CA C 99 45.047 45.047 44.988 0.059 25439 480 1 1 . 1 1 99 99 GLY H H 99 9.273 9.273 8.838 0.435 25439 481 1 1 . 1 1 100 100 TYR N N 100 120.784 120.784 120.453 0.331 25439 482 1 1 . 1 1 100 100 TYR HA H 100 4.704 4.704 4.738 -0.034 25439 483 1 1 . 1 1 100 100 TYR CA C 100 57.697 57.697 56.315 1.382 25439 484 1 1 . 1 1 100 100 TYR CB C 100 39.413 39.413 36.934 2.479 25439 485 1 1 . 1 1 100 100 TYR H H 100 8.457 8.457 8.179 0.278 25439 486 1 1 . 1 1 101 101 GLU N N 101 119.482 119.482 121.143 -1.661 25439 487 1 1 . 1 1 101 101 GLU HA H 101 4.601 4.601 4.484 0.117 25439 488 1 1 . 1 1 101 101 GLU CA C 101 61.207 61.207 57.625 3.582 25439 489 1 1 . 1 1 101 101 GLU CB C 101 29.648 29.648 30.558 -0.910 25439 490 1 1 . 1 1 101 101 GLU H H 101 9.836 9.836 8.350 1.486 25439 491 1 1 . 1 1 102 102 LYS N N 102 115.179 115.179 121.117 -5.938 25439 492 1 1 . 1 1 102 102 LYS HA H 102 4.295 4.295 4.608 -0.313 25439 493 1 1 . 1 1 102 102 LYS CA C 102 54.207 54.207 55.036 -0.829 25439 494 1 1 . 1 1 102 102 LYS CB C 102 32.489 32.489 31.747 0.741 25439 495 1 1 . 1 1 102 102 LYS H H 102 8.291 8.291 8.063 0.228 25439 496 1 1 . 1 1 103 103 LEU N N 103 119.637 119.637 122.221 -2.584 25439 497 1 1 . 1 1 103 103 LEU HA H 103 4.385 4.385 4.869 -0.484 25439 498 1 1 . 1 1 103 103 LEU CA C 103 56.549 56.549 54.377 2.172 25439 499 1 1 . 1 1 103 103 LEU CB C 103 43.864 43.864 44.365 -0.501 25439 500 1 1 . 1 1 103 103 LEU H H 103 7.642 7.642 7.993 -0.351 25439 501 1 1 . 1 1 104 104 CYS N N 104 129.651 129.651 121.786 7.865 25439 502 1 1 . 1 1 104 104 CYS HA H 104 4.498 4.498 5.137 -0.639 25439 503 1 1 . 1 1 104 104 CYS CA C 104 58.076 58.076 58.529 -0.453 25439 504 1 1 . 1 1 104 104 CYS CB C 104 32.301 32.301 28.170 4.131 25439 505 1 1 . 1 1 104 104 CYS H H 104 8.638 8.638 8.969 -0.331 25439 506 1 1 . 1 1 105 105 CYS N N 105 120.206 120.206 118.331 1.875 25439 507 1 1 . 1 1 105 105 CYS HA H 105 4.806 4.806 4.865 -0.059 25439 508 1 1 . 1 1 105 105 CYS CA C 105 58.271 58.271 56.923 1.348 25439 509 1 1 . 1 1 105 105 CYS CB C 105 32.062 32.062 30.294 1.768 25439 510 1 1 . 1 1 105 105 CYS H H 105 8.158 8.158 8.083 0.075 25439 511 1 1 . 1 1 106 106 LEU N N 106 115.513 115.513 120.761 -5.248 25439 512 1 1 . 1 1 106 106 LEU HA H 106 4.054 4.054 4.276 -0.222 25439 513 1 1 . 1 1 106 106 LEU CA C 106 56.110 56.110 56.727 -0.617 25439 514 1 1 . 1 1 106 106 LEU CB C 106 41.227 41.227 42.310 -1.083 25439 515 1 1 . 1 1 106 106 LEU H H 106 8.466 8.466 8.311 0.155 25439 516 1 1 . 1 1 107 107 ARG N N 107 122.711 122.711 118.774 3.937 25439 517 1 1 . 1 1 107 107 ARG HA H 107 3.993 3.993 4.298 -0.305 25439 518 1 1 . 1 1 107 107 ARG CA C 107 58.311 58.311 56.400 1.911 25439 519 1 1 . 1 1 107 107 ARG CB C 107 28.965 28.965 29.426 -0.461 25439 520 1 1 . 1 1 107 107 ARG H H 107 8.131 8.131 8.170 -0.039 25439 521 1 1 . 1 1 108 108 CYS N N 108 119.055 119.055 117.974 1.081 25439 522 1 1 . 1 1 108 108 CYS HA H 108 4.101 4.101 4.719 -0.618 25439 523 1 1 . 1 1 108 108 CYS CA C 108 63.936 63.936 57.442 6.494 25439 524 1 1 . 1 1 108 108 CYS CB C 108 30.934 30.934 27.444 3.490 25439 525 1 1 . 1 1 108 108 CYS H H 108 8.010 8.010 7.906 0.104 25439 526 1 1 . 1 1 109 109 ILE N N 109 107.315 107.315 113.443 -6.128 25439 527 1 1 . 1 1 109 109 ILE HA H 109 4.684 4.684 4.453 0.231 25439 528 1 1 . 1 1 109 109 ILE CA C 109 60.483 60.483 61.029 -0.546 25439 529 1 1 . 1 1 109 109 ILE CB C 109 38.320 38.320 39.051 -0.731 25439 530 1 1 . 1 1 109 109 ILE H H 109 7.105 7.105 7.479 -0.374 25439 531 1 1 . 1 1 110 110 GLN N N 110 122.468 122.468 120.700 1.768 25439 532 1 1 . 1 1 110 110 GLN HA H 110 4.268 4.268 4.736 -0.468 25439 533 1 1 . 1 1 110 110 GLN CA C 110 55.981 55.981 54.638 1.343 25439 534 1 1 . 1 1 110 110 GLN CB C 110 29.656 29.656 32.549 -2.893 25439 535 1 1 . 1 1 110 110 GLN H H 110 7.156 7.156 8.115 -0.959 25439 536 1 1 . 1 1 111 111 LYS N N 111 124.650 124.650 120.568 4.082 25439 537 1 1 . 1 1 111 111 LYS HA H 111 4.246 4.246 4.994 -0.748 25439 538 1 1 . 1 1 111 111 LYS CA C 111 56.546 56.546 54.953 1.593 25439 539 1 1 . 1 1 111 111 LYS CB C 111 32.846 32.846 35.320 -2.474 25439 540 1 1 . 1 1 111 111 LYS H H 111 8.522 8.522 8.351 0.171 25439 541 1 1 . 1 1 112 112 ASN N N 112 120.972 120.972 119.592 1.380 25439 542 1 1 . 1 1 112 112 ASN HA H 112 4.778 4.778 4.914 -0.136 25439 543 1 1 . 1 1 112 112 ASN CA C 112 52.902 52.902 52.132 0.770 25439 544 1 1 . 1 1 112 112 ASN CB C 112 39.328 39.328 41.284 -1.956 25439 545 1 1 . 1 1 112 112 ASN H H 112 8.360 8.360 8.622 -0.262 25439 546 1 1 . 1 1 113 113 GLU N N 113 121.710 121.710 119.309 2.401 25439 547 1 1 . 1 1 113 113 GLU HA H 113 4.248 4.248 4.526 -0.278 25439 548 1 1 . 1 1 113 113 GLU CA C 113 58.611 58.611 56.147 2.464 25439 549 1 1 . 1 1 113 113 GLU CB C 113 29.590 29.590 30.552 -0.962 25439 550 1 1 . 1 1 113 113 GLU H H 113 9.023 9.023 8.754 0.269 25439 551 1 1 . 1 1 114 114 THR N N 114 112.186 112.186 114.868 -2.682 25439 552 1 1 . 1 1 114 114 THR HA H 114 4.321 4.321 4.550 -0.229 25439 553 1 1 . 1 1 114 114 THR CA C 114 63.161 63.161 62.650 0.511 25439 554 1 1 . 1 1 114 114 THR CB C 114 69.481 69.481 69.598 -0.117 25439 555 1 1 . 1 1 114 114 THR H H 114 8.112 8.112 8.408 -0.296 25439 556 1 1 . 1 1 115 115 ASN N N 115 119.112 119.112 119.161 -0.049 25439 557 1 1 . 1 1 115 115 ASN HA H 115 4.829 4.829 4.770 0.059 25439 558 1 1 . 1 1 115 115 ASN CA C 115 53.110 53.110 53.774 -0.664 25439 559 1 1 . 1 1 115 115 ASN CB C 115 38.659 38.659 39.852 -1.193 25439 560 1 1 . 1 1 115 115 ASN H H 115 8.047 8.047 8.497 -0.450 25439 561 1 1 . 1 1 116 116 ASN N N 116 117.175 117.175 117.584 -0.409 25439 562 1 1 . 1 1 116 116 ASN HA H 116 4.615 4.615 4.863 -0.248 25439 563 1 1 . 1 1 116 116 ASN CA C 116 53.965 53.965 51.944 2.021 25439 564 1 1 . 1 1 116 116 ASN CB C 116 38.173 38.173 39.991 -1.818 25439 565 1 1 . 1 1 116 116 ASN H H 116 8.364 8.364 8.158 0.206 25439 566 1 1 . 1 1 117 117 GLY N N 117 107.294 107.294 106.987 0.307 25439 567 1 1 . 1 1 117 117 GLY CA C 117 45.882 45.882 44.986 0.896 25439 568 1 1 . 1 1 117 117 GLY H H 117 8.264 8.264 8.326 -0.062 25439 569 1 1 . 1 1 118 118 SER N N 118 115.475 115.475 122.008 -6.533 25439 570 1 1 . 1 1 118 118 SER HA H 118 4.586 4.586 4.739 -0.153 25439 571 1 1 . 1 1 118 118 SER CA C 118 57.974 57.974 57.309 0.665 25439 572 1 1 . 1 1 118 118 SER CB C 118 64.479 64.479 63.542 0.936 25439 573 1 1 . 1 1 118 118 SER H H 118 7.905 7.905 8.612 -0.707 25439 574 1 1 . 1 1 119 119 THR N N 119 111.360 111.360 116.039 -4.679 25439 575 1 1 . 1 1 119 119 THR HA H 119 4.450 4.450 4.739 -0.289 25439 576 1 1 . 1 1 119 119 THR CA C 119 61.215 61.215 60.387 0.828 25439 577 1 1 . 1 1 119 119 THR CB C 119 70.569 70.569 71.265 -0.696 25439 578 1 1 . 1 1 119 119 THR H H 119 8.044 8.044 7.663 0.381 25439 579 1 1 . 1 1 120 120 CYS N N 120 122.708 122.708 120.870 1.838 25439 580 1 1 . 1 1 120 120 CYS HA H 120 4.255 4.255 4.794 -0.539 25439 581 1 1 . 1 1 120 120 CYS CA C 120 61.469 61.469 57.266 4.203 25439 582 1 1 . 1 1 120 120 CYS CB C 120 30.892 30.892 29.563 1.329 25439 583 1 1 . 1 1 120 120 CYS H H 120 8.045 8.045 8.491 -0.446 25439 584 1 1 . 1 1 121 121 ILE N N 121 132.463 132.463 123.723 8.740 25439 585 1 1 . 1 1 121 121 ILE HA H 121 4.025 4.025 3.810 0.215 25439 586 1 1 . 1 1 121 121 ILE CA C 121 63.353 63.353 63.112 0.241 25439 587 1 1 . 1 1 121 121 ILE CB C 121 38.222 38.222 37.559 0.662 25439 588 1 1 . 1 1 121 121 ILE H H 121 8.237 8.237 8.412 -0.175 25439 589 1 1 . 1 1 122 122 CYS N N 122 123.931 123.931 118.114 5.817 25439 590 1 1 . 1 1 122 122 CYS HA H 122 4.233 4.233 4.228 0.005 25439 591 1 1 . 1 1 122 122 CYS CA C 122 60.230 60.230 60.522 -0.292 25439 592 1 1 . 1 1 122 122 CYS CB C 122 30.602 30.602 25.982 4.620 25439 593 1 1 . 1 1 122 122 CYS H H 122 9.355 9.355 7.492 1.863 25439 594 1 1 . 1 1 123 123 ARG N N 123 119.561 119.561 120.711 -1.150 25439 595 1 1 . 1 1 123 123 ARG HA H 123 4.150 4.150 4.379 -0.229 25439 596 1 1 . 1 1 123 123 ARG CA C 123 53.177 53.177 57.659 -4.482 25439 597 1 1 . 1 1 123 123 ARG CB C 123 27.961 27.961 30.199 -2.238 25439 598 1 1 . 1 1 123 123 ARG H H 123 7.677 7.677 7.642 0.035 25439 599 1 1 . 1 1 124 124 VAL N N 124 122.794 122.794 121.877 0.917 25439 600 1 1 . 1 1 124 124 VAL HA H 124 4.081 4.081 4.101 -0.020 25439 601 1 1 . 1 1 124 124 VAL CA C 124 60.647 60.647 60.821 -0.174 25439 602 1 1 . 1 1 124 124 VAL CB C 124 32.857 32.857 31.016 1.841 25439 603 1 1 . 1 1 124 124 VAL H H 124 7.578 7.578 7.436 0.142 25439 604 1 1 . 1 1 125 125 PRO HA H 125 4.263 4.263 4.543 -0.280 25439 605 1 1 . 1 1 125 125 PRO CA C 125 63.268 63.268 62.567 0.701 25439 606 1 1 . 1 1 125 125 PRO CB C 125 32.379 32.379 32.897 -0.518 25439 607 1 1 . 1 1 126 126 ARG N N 126 128.350 128.350 119.295 9.055 25439 608 1 1 . 1 1 126 126 ARG HA H 126 3.912 3.912 4.102 -0.190 25439 609 1 1 . 1 1 126 126 ARG CA C 126 59.653 59.653 59.387 0.266 25439 610 1 1 . 1 1 126 126 ARG CB C 126 29.339 29.339 29.175 0.164 25439 611 1 1 . 1 1 126 126 ARG H H 126 9.534 9.534 8.779 0.755 25439 612 1 1 . 1 1 127 127 ALA N N 127 119.169 119.169 122.459 -3.290 25439 613 1 1 . 1 1 127 127 ALA HA H 127 4.192 4.192 4.127 0.065 25439 614 1 1 . 1 1 127 127 ALA CA C 127 55.227 55.227 55.129 0.098 25439 615 1 1 . 1 1 127 127 ALA CB C 127 18.363 18.363 17.988 0.375 25439 616 1 1 . 1 1 127 127 ALA H H 127 9.263 9.263 8.380 0.883 25439 617 1 1 . 1 1 128 128 GLN N N 128 117.345 117.345 118.164 -0.819 25439 618 1 1 . 1 1 128 128 GLN HA H 128 4.209 4.209 4.084 0.125 25439 619 1 1 . 1 1 128 128 GLN CA C 128 58.506 58.506 58.846 -0.340 25439 620 1 1 . 1 1 128 128 GLN CB C 128 28.220 28.220 28.374 -0.154 25439 621 1 1 . 1 1 128 128 GLN H H 128 7.448 7.448 8.412 -0.964 25439 622 1 1 . 1 1 129 129 LEU N N 129 120.561 120.561 120.525 0.036 25439 623 1 1 . 1 1 129 129 LEU HA H 129 4.088 4.088 3.890 0.198 25439 624 1 1 . 1 1 129 129 LEU CA C 129 57.952 57.952 57.960 -0.008 25439 625 1 1 . 1 1 129 129 LEU CB C 129 41.817 41.817 41.865 -0.048 25439 626 1 1 . 1 1 129 129 LEU H H 129 7.622 7.622 7.544 0.078 25439 627 1 1 . 1 1 130 130 GLU N N 130 119.122 119.122 118.801 0.321 25439 628 1 1 . 1 1 130 130 GLU HA H 130 3.956 3.956 3.892 0.064 25439 629 1 1 . 1 1 130 130 GLU CA C 130 59.353 59.353 59.872 -0.519 25439 630 1 1 . 1 1 130 130 GLU CB C 130 29.337 29.337 29.361 -0.024 25439 631 1 1 . 1 1 130 130 GLU H H 130 8.656 8.656 8.641 0.015 25439 632 1 1 . 1 1 131 131 GLU N N 131 121.469 121.469 119.101 2.368 25439 633 1 1 . 1 1 131 131 GLU HA H 131 4.163 4.163 3.985 0.178 25439 634 1 1 . 1 1 131 131 GLU CA C 131 59.288 59.288 59.983 -0.695 25439 635 1 1 . 1 1 131 131 GLU CB C 131 29.422 29.422 29.524 -0.102 25439 636 1 1 . 1 1 131 131 GLU H H 131 7.922 7.922 7.743 0.179 25439 637 1 1 . 1 1 132 132 GLU N N 132 119.241 119.241 118.261 0.980 25439 638 1 1 . 1 1 132 132 GLU HA H 132 3.998 3.998 4.033 -0.035 25439 639 1 1 . 1 1 132 132 GLU CA C 132 59.327 59.327 59.462 -0.135 25439 640 1 1 . 1 1 132 132 GLU CB C 132 29.421 29.421 28.908 0.513 25439 641 1 1 . 1 1 132 132 GLU H H 132 8.099 8.099 7.738 0.361 25439 642 1 1 . 1 1 133 133 ALA N N 133 121.302 121.302 122.156 -0.854 25439 643 1 1 . 1 1 133 133 ALA HA H 133 4.053 4.053 4.034 0.019 25439 644 1 1 . 1 1 133 133 ALA CA C 133 54.973 54.973 55.172 -0.199 25439 645 1 1 . 1 1 133 133 ALA CB C 133 18.154 18.154 18.339 -0.185 25439 646 1 1 . 1 1 133 133 ALA H H 133 7.795 7.795 7.477 0.318 25439 647 1 1 . 1 1 134 134 ARG N N 134 118.757 118.757 118.684 0.073 25439 648 1 1 . 1 1 134 134 ARG HA H 134 4.143 4.143 4.017 0.126 25439 649 1 1 . 1 1 134 134 ARG CA C 134 59.438 59.438 59.357 0.081 25439 650 1 1 . 1 1 134 134 ARG CB C 134 30.148 30.148 30.210 -0.062 25439 651 1 1 . 1 1 134 134 ARG H H 134 8.145 8.145 7.745 0.400 25439 652 1 1 . 1 1 135 135 LYS N N 135 119.496 119.496 119.390 0.106 25439 653 1 1 . 1 1 135 135 LYS HA H 135 4.073 4.073 4.151 -0.078 25439 654 1 1 . 1 1 135 135 LYS CA C 135 59.327 59.327 58.469 0.858 25439 655 1 1 . 1 1 135 135 LYS CB C 135 32.539 32.539 32.391 0.149 25439 656 1 1 . 1 1 135 135 LYS H H 135 8.036 8.036 7.953 0.083 25439 657 1 1 . 1 1 136 136 LYS N N 136 116.645 116.645 116.996 -0.351 25439 658 1 1 . 1 1 136 136 LYS HA H 136 4.362 4.362 4.472 -0.110 25439 659 1 1 . 1 1 136 136 LYS CA C 136 56.575 56.575 55.368 1.207 25439 660 1 1 . 1 1 136 136 LYS CB C 136 33.629 33.629 32.321 1.308 25439 661 1 1 . 1 1 136 136 LYS H H 136 7.682 7.682 7.582 0.100 25439 662 1 1 . 1 1 137 137 GLY N N 137 109.349 109.349 109.030 0.319 25439 663 1 1 . 1 1 137 137 GLY CA C 137 46.358 46.358 46.241 0.117 25439 664 1 1 . 1 1 137 137 GLY H H 137 8.064 8.064 7.636 0.428 25439 665 1 1 . 1 1 138 138 THR N N 138 112.870 112.870 112.249 0.621 25439 666 1 1 . 1 1 138 138 THR HA H 138 4.735 4.735 4.623 0.112 25439 667 1 1 . 1 1 138 138 THR CA C 138 59.308 59.308 60.312 -1.004 25439 668 1 1 . 1 1 138 138 THR CB C 138 70.755 70.755 70.171 0.584 25439 669 1 1 . 1 1 138 138 THR H H 138 8.111 8.111 8.055 0.056 25439 670 1 1 . 1 1 139 139 GLN N N 139 118.177 118.177 119.136 -0.959 25439 671 1 1 . 1 1 139 139 GLN HA H 139 4.609 4.609 4.680 -0.071 25439 672 1 1 . 1 1 139 139 GLN CA C 139 54.435 54.435 55.370 -0.935 25439 673 1 1 . 1 1 139 139 GLN CB C 139 30.777 30.777 30.782 -0.005 25439 674 1 1 . 1 1 139 139 GLN H H 139 8.227 8.227 8.288 -0.061 25439 675 1 1 . 1 1 140 140 VAL N N 140 123.601 123.601 118.902 4.699 25439 676 1 1 . 1 1 140 140 VAL HA H 140 3.790 3.790 4.387 -0.597 25439 677 1 1 . 1 1 140 140 VAL CA C 140 63.934 63.934 62.254 1.680 25439 678 1 1 . 1 1 140 140 VAL CB C 140 32.154 32.154 34.228 -2.074 25439 679 1 1 . 1 1 140 140 VAL H H 140 8.839 8.839 8.153 0.686 25439 680 1 1 . 1 1 141 141 SER HA H 141 4.524 4.524 4.573 -0.049 25439 681 1 1 . 1 1 141 141 SER CA C 141 57.841 57.841 57.959 -0.117 25439 682 1 1 . 1 1 141 141 SER CB C 141 64.174 64.174 63.656 0.518 25439 683 1 1 . 1 1 142 142 PHE N N 142 123.726 123.726 124.919 -1.193 25439 684 1 1 . 1 1 142 142 PHE HA H 142 4.458 4.458 4.753 -0.295 25439 685 1 1 . 1 1 142 142 PHE CA C 142 58.673 58.673 57.869 0.804 25439 686 1 1 . 1 1 142 142 PHE CB C 142 40.055 40.055 41.165 -1.110 25439 687 1 1 . 1 1 142 142 PHE H H 142 7.534 7.534 8.155 -0.621 25439 688 1 1 . 1 1 143 143 HIS N N 143 126.548 126.548 118.816 7.732 25439 689 1 1 . 1 1 143 143 HIS HA H 143 4.336 4.336 4.332 0.004 25439 690 1 1 . 1 1 143 143 HIS CA C 143 56.837 56.837 56.272 0.565 25439 691 1 1 . 1 1 143 143 HIS CB C 143 31.949 31.949 32.315 -0.366 25439 692 1 1 . 1 1 143 143 HIS H H 143 8.308 8.308 7.252 1.056 25439 693 1 1 . 1 1 144 144 GLN N N 144 115.094 115.094 116.467 -1.373 25439 694 1 1 . 1 1 144 144 GLN HA H 144 4.433 4.433 4.669 -0.236 25439 695 1 1 . 1 1 144 144 GLN CA C 144 54.210 54.210 53.343 0.867 25439 696 1 1 . 1 1 144 144 GLN CB C 144 32.925 32.925 31.718 1.207 25439 697 1 1 . 1 1 144 144 GLN H H 144 7.203 7.203 7.039 0.164 25439 698 1 1 . 1 1 145 145 CYS N N 145 123.088 123.088 118.022 5.066 25439 699 1 1 . 1 1 145 145 CYS HA H 145 4.961 4.961 5.129 -0.168 25439 700 1 1 . 1 1 145 145 CYS CA C 145 57.978 57.978 57.050 0.929 25439 701 1 1 . 1 1 145 145 CYS CB C 145 33.555 33.555 29.824 3.731 25439 702 1 1 . 1 1 145 145 CYS H H 145 8.668 8.668 8.255 0.413 25439 703 1 1 . 1 1 146 146 VAL N N 146 113.265 113.265 118.088 -4.823 25439 704 1 1 . 1 1 146 146 VAL HA H 146 4.238 4.238 4.183 0.055 25439 705 1 1 . 1 1 146 146 VAL CA C 146 64.001 64.001 65.383 -1.382 25439 706 1 1 . 1 1 146 146 VAL CB C 146 32.157 32.157 32.067 0.090 25439 707 1 1 . 1 1 146 146 VAL H H 146 8.198 8.198 8.325 -0.127 25439 708 1 1 . 1 1 147 147 HIS N N 147 120.556 120.556 118.930 1.626 25439 709 1 1 . 1 1 147 147 HIS HA H 147 4.604 4.604 4.323 0.281 25439 710 1 1 . 1 1 147 147 HIS CA C 147 58.708 58.708 58.194 0.514 25439 711 1 1 . 1 1 147 147 HIS CB C 147 32.204 32.204 29.223 2.982 25439 712 1 1 . 1 1 147 147 HIS H H 147 7.151 7.151 8.270 -1.119 25439 713 1 1 . 1 1 148 148 CYS N N 148 112.110 112.110 112.306 -0.196 25439 714 1 1 . 1 1 148 148 CYS HA H 148 4.889 4.889 4.759 0.130 25439 715 1 1 . 1 1 148 148 CYS CA C 148 57.952 57.952 55.516 2.436 25439 716 1 1 . 1 1 148 148 CYS CB C 148 32.956 32.956 30.274 2.682 25439 717 1 1 . 1 1 148 148 CYS H H 148 7.413 7.413 7.283 0.130 25439 718 1 1 . 1 1 149 149 GLY N N 149 112.797 112.797 108.287 4.510 25439 719 1 1 . 1 1 149 149 GLY CA C 149 45.327 45.327 44.439 0.888 25439 720 1 1 . 1 1 149 149 GLY H H 149 6.949 6.949 8.331 -1.382 25439 721 1 1 . 1 1 150 150 CYS N N 150 127.277 127.277 120.118 7.159 25439 722 1 1 . 1 1 150 150 CYS HA H 150 3.932 3.932 4.552 -0.620 25439 723 1 1 . 1 1 150 150 CYS CA C 150 61.362 61.362 57.202 4.160 25439 724 1 1 . 1 1 150 150 CYS CB C 150 30.632 30.632 29.934 0.698 25439 725 1 1 . 1 1 150 150 CYS H H 150 8.240 8.240 7.135 1.105 25439 726 1 1 . 1 1 151 151 ARG N N 151 125.476 125.476 126.799 -1.323 25439 727 1 1 . 1 1 151 151 ARG HA H 151 4.775 4.775 4.285 0.490 25439 728 1 1 . 1 1 151 151 ARG CA C 151 56.164 56.164 55.038 1.126 25439 729 1 1 . 1 1 151 151 ARG CB C 151 30.354 30.354 29.652 0.702 25439 730 1 1 . 1 1 151 151 ARG H H 151 8.492 8.492 8.691 -0.199 25439 731 1 1 . 1 1 152 152 GLY N N 152 117.275 117.275 108.247 9.028 25439 732 1 1 . 1 1 152 152 GLY CA C 152 45.523 45.523 45.428 0.095 25439 733 1 1 . 1 1 152 152 GLY H H 152 9.812 9.812 7.578 2.234 25439 734 1 1 . 1 1 153 153 CYS N N 153 126.187 126.187 118.814 7.373 25439 735 1 1 . 1 1 153 153 CYS HA H 153 4.842 4.842 4.797 0.045 25439 736 1 1 . 1 1 153 153 CYS CA C 153 57.130 57.130 55.732 1.398 25439 737 1 1 . 1 1 153 153 CYS CB C 153 31.368 31.368 27.880 3.488 25439 738 1 1 . 1 1 153 153 CYS H H 153 8.930 8.930 8.133 0.797 25439 739 1 1 . 1 1 154 154 ALA N N 154 125.869 125.869 126.797 -0.928 25439 740 1 1 . 1 1 154 154 ALA HA H 154 4.159 4.159 5.035 -0.876 25439 741 1 1 . 1 1 154 154 ALA CA C 154 53.187 53.187 51.295 1.892 25439 742 1 1 . 1 1 154 154 ALA CB C 154 18.937 18.937 20.725 -1.788 25439 743 1 1 . 1 1 154 154 ALA H H 154 8.616 8.616 8.537 0.079 25439 744 1 1 . 1 1 155 155 SER N N 155 116.724 116.724 119.926 -3.202 25439 745 1 1 . 1 1 155 155 SER HA H 155 4.283 4.283 4.269 0.014 25439 746 1 1 . 1 1 155 155 SER CA C 155 60.136 60.136 60.631 -0.495 25439 747 1 1 . 1 1 155 155 SER CB C 155 63.575 63.575 63.728 -0.153 25439 748 1 1 . 1 1 155 155 SER H H 155 9.358 9.358 8.722 0.636 25439 749 1 1 . 1 1 156 156 THR N N 156 111.893 111.893 115.508 -3.615 25439 750 1 1 . 1 1 156 156 THR HA H 156 4.358 4.358 4.076 0.282 25439 751 1 1 . 1 1 156 156 THR CA C 156 61.264 61.264 64.363 -3.099 25439 752 1 1 . 1 1 156 156 THR CB C 156 69.999 69.999 69.043 0.956 25439 753 1 1 . 1 1 156 156 THR H H 156 7.638 7.638 8.230 -0.592 25439 754 1 2 . 1 1 0 0 GLY CA C 0 43.750 43.750 44.582 -0.832 25439 755 1 2 . 1 1 1 1 SER N N 1 117.201 117.201 117.408 -0.207 25439 756 1 2 . 1 1 1 1 SER HA H 1 4.809 4.809 4.920 -0.111 25439 757 1 2 . 1 1 1 1 SER CA C 1 56.525 56.525 56.988 -0.463 25439 758 1 2 . 1 1 1 1 SER CB C 1 63.385 63.385 63.581 -0.196 25439 759 1 2 . 1 1 1 1 SER H H 1 8.381 8.381 8.465 -0.084 25439 760 1 2 . 1 1 2 2 PRO HA H 2 4.468 4.468 4.432 0.036 25439 761 1 2 . 1 1 2 2 PRO CA C 2 63.292 63.292 64.379 -1.087 25439 762 1 2 . 1 1 2 2 PRO CB C 2 32.174 32.174 32.259 -0.085 25439 763 1 2 . 1 1 3 3 ARG N N 3 121.649 121.649 117.462 4.187 25439 764 1 2 . 1 1 3 3 ARG HA H 3 4.324 4.324 4.549 -0.225 25439 765 1 2 . 1 1 3 3 ARG CA C 3 56.226 56.226 56.092 0.134 25439 766 1 2 . 1 1 3 3 ARG CB C 3 30.732 30.732 31.442 -0.710 25439 767 1 2 . 1 1 3 3 ARG H H 3 8.428 8.428 8.318 0.110 25439 768 1 2 . 1 1 4 4 ILE N N 4 122.500 122.500 120.084 2.416 25439 769 1 2 . 1 1 4 4 ILE HA H 4 4.181 4.181 4.431 -0.250 25439 770 1 2 . 1 1 4 4 ILE CA C 4 60.943 60.943 60.290 0.653 25439 771 1 2 . 1 1 4 4 ILE CB C 4 38.751 38.751 40.118 -1.367 25439 772 1 2 . 1 1 4 4 ILE H H 4 8.165 8.165 7.751 0.414 25439 773 1 2 . 1 1 5 5 LYS N N 5 126.237 126.237 126.082 0.155 25439 774 1 2 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.673 -0.271 25439 775 1 2 . 1 1 5 5 LYS CA C 5 56.422 56.422 55.727 0.695 25439 776 1 2 . 1 1 5 5 LYS CB C 5 33.130 33.130 33.543 -0.413 25439 777 1 2 . 1 1 5 5 LYS H H 5 8.500 8.500 8.380 0.120 25439 778 1 2 . 1 1 6 6 THR N N 6 116.495 116.495 115.229 1.266 25439 779 1 2 . 1 1 6 6 THR HA H 6 4.323 4.323 4.513 -0.190 25439 780 1 2 . 1 1 6 6 THR CA C 6 61.918 61.918 61.761 0.157 25439 781 1 2 . 1 1 6 6 THR CB C 6 69.963 69.963 70.156 -0.193 25439 782 1 2 . 1 1 6 6 THR H H 6 8.194 8.194 8.351 -0.157 25439 783 1 2 . 1 1 7 7 ARG N N 7 124.128 124.128 125.372 -1.244 25439 784 1 2 . 1 1 7 7 ARG HA H 7 4.396 4.396 4.598 -0.202 25439 785 1 2 . 1 1 7 7 ARG CA C 7 56.128 56.128 56.326 -0.198 25439 786 1 2 . 1 1 7 7 ARG CB C 7 30.953 30.953 30.467 0.486 25439 787 1 2 . 1 1 7 7 ARG H H 7 8.458 8.458 8.629 -0.171 25439 788 1 2 . 1 1 8 8 ARG N N 8 123.384 123.384 122.225 1.159 25439 789 1 2 . 1 1 8 8 ARG HA H 8 4.424 4.424 4.403 0.021 25439 790 1 2 . 1 1 8 8 ARG CA C 8 56.011 56.011 56.276 -0.265 25439 791 1 2 . 1 1 8 8 ARG CB C 8 31.058 31.058 30.963 0.095 25439 792 1 2 . 1 1 8 8 ARG H H 8 8.526 8.526 8.590 -0.064 25439 793 1 2 . 1 1 9 9 SER N N 9 118.446 118.446 114.171 4.275 25439 794 1 2 . 1 1 9 9 SER HA H 9 4.473 4.473 4.663 -0.190 25439 795 1 2 . 1 1 9 9 SER CA C 9 58.568 58.568 57.261 1.307 25439 796 1 2 . 1 1 9 9 SER CB C 9 63.986 63.986 65.505 -1.519 25439 797 1 2 . 1 1 9 9 SER H H 9 8.450 8.450 7.933 0.517 25439 798 1 2 . 1 1 10 10 LYS N N 10 124.117 124.117 120.238 3.879 25439 799 1 2 . 1 1 10 10 LYS HA H 10 4.673 4.673 4.955 -0.282 25439 800 1 2 . 1 1 10 10 LYS CA C 10 54.412 54.412 53.508 0.904 25439 801 1 2 . 1 1 10 10 LYS CB C 10 32.693 32.693 33.888 -1.195 25439 802 1 2 . 1 1 10 10 LYS H H 10 8.426 8.426 8.756 -0.330 25439 803 1 2 . 1 1 11 11 PRO HA H 11 4.360 4.360 4.481 -0.121 25439 804 1 2 . 1 1 11 11 PRO CA C 11 62.861 62.861 62.796 0.065 25439 805 1 2 . 1 1 11 11 PRO CB C 11 32.106 32.106 32.162 -0.056 25439 806 1 2 . 1 1 12 12 ALA N N 12 124.420 124.420 123.011 1.409 25439 807 1 2 . 1 1 12 12 ALA HA H 12 2.889 2.889 3.291 -0.402 25439 808 1 2 . 1 1 12 12 ALA CA C 12 49.735 49.735 48.812 0.923 25439 809 1 2 . 1 1 12 12 ALA CB C 12 18.066 18.066 17.102 0.964 25439 810 1 2 . 1 1 12 12 ALA H H 12 7.890 7.890 7.756 0.134 25439 811 1 2 . 1 1 13 13 PRO HA H 13 4.207 4.207 4.428 -0.221 25439 812 1 2 . 1 1 13 13 PRO CA C 13 62.111 62.111 61.733 0.378 25439 813 1 2 . 1 1 13 13 PRO CB C 13 32.582 32.582 32.435 0.147 25439 814 1 2 . 1 1 14 14 ASP N N 14 119.535 119.535 120.382 -0.847 25439 815 1 2 . 1 1 14 14 ASP HA H 14 4.379 4.379 4.286 0.093 25439 816 1 2 . 1 1 14 14 ASP CA C 14 56.427 56.427 57.626 -1.199 25439 817 1 2 . 1 1 14 14 ASP CB C 14 41.177 41.177 40.501 0.676 25439 818 1 2 . 1 1 14 14 ASP H H 14 8.206 8.206 8.712 -0.506 25439 819 1 2 . 1 1 15 15 GLY N N 15 113.273 113.273 107.888 5.385 25439 820 1 2 . 1 1 15 15 GLY CA C 15 45.146 45.146 46.767 -1.621 25439 821 1 2 . 1 1 15 15 GLY H H 15 8.723 8.723 8.494 0.229 25439 822 1 2 . 1 1 16 16 PHE N N 16 123.113 123.113 122.705 0.408 25439 823 1 2 . 1 1 16 16 PHE HA H 16 4.125 4.125 4.258 -0.133 25439 824 1 2 . 1 1 16 16 PHE CA C 16 60.715 60.715 59.530 1.185 25439 825 1 2 . 1 1 16 16 PHE CB C 16 39.639 39.639 39.135 0.504 25439 826 1 2 . 1 1 16 16 PHE H H 16 8.127 8.127 8.296 -0.169 25439 827 1 2 . 1 1 17 17 GLU N N 17 115.695 115.695 119.442 -3.747 25439 828 1 2 . 1 1 17 17 GLU HA H 17 3.768 3.768 3.879 -0.111 25439 829 1 2 . 1 1 17 17 GLU CA C 17 59.234 59.234 59.236 -0.002 25439 830 1 2 . 1 1 17 17 GLU CB C 17 28.495 28.495 29.227 -0.732 25439 831 1 2 . 1 1 17 17 GLU H H 17 9.088 9.088 8.170 0.918 25439 832 1 2 . 1 1 18 18 LYS N N 18 115.887 115.887 117.799 -1.912 25439 833 1 2 . 1 1 18 18 LYS HA H 18 4.165 4.165 4.070 0.095 25439 834 1 2 . 1 1 18 18 LYS CA C 18 58.249 58.249 58.853 -0.605 25439 835 1 2 . 1 1 18 18 LYS CB C 18 32.725 32.725 32.889 -0.164 25439 836 1 2 . 1 1 18 18 LYS H H 18 7.285 7.285 7.707 -0.422 25439 837 1 2 . 1 1 19 19 ILE N N 19 110.277 110.277 111.396 -1.119 25439 838 1 2 . 1 1 19 19 ILE HA H 19 4.722 4.722 4.654 0.068 25439 839 1 2 . 1 1 19 19 ILE CA C 19 61.093 61.093 59.965 1.128 25439 840 1 2 . 1 1 19 19 ILE CB C 19 39.139 39.139 38.135 1.004 25439 841 1 2 . 1 1 19 19 ILE H H 19 7.031 7.031 7.474 -0.443 25439 842 1 2 . 1 1 20 20 LYS N N 20 124.540 124.540 122.716 1.824 25439 843 1 2 . 1 1 20 20 LYS HA H 20 3.603 3.603 3.782 -0.179 25439 844 1 2 . 1 1 20 20 LYS CA C 20 60.917 60.917 59.770 1.147 25439 845 1 2 . 1 1 20 20 LYS CB C 20 30.210 30.210 30.476 -0.266 25439 846 1 2 . 1 1 20 20 LYS H H 20 7.666 7.666 7.531 0.135 25439 847 1 2 . 1 1 21 21 PRO HA H 21 4.292 4.292 4.533 -0.241 25439 848 1 2 . 1 1 21 21 PRO CA C 21 66.990 66.990 65.447 1.543 25439 849 1 2 . 1 1 21 21 PRO CB C 21 30.779 30.779 31.365 -0.586 25439 850 1 2 . 1 1 22 22 THR N N 22 114.917 114.917 115.385 -0.468 25439 851 1 2 . 1 1 22 22 THR HA H 22 3.866 3.866 4.044 -0.178 25439 852 1 2 . 1 1 22 22 THR CA C 22 66.575 66.575 66.562 0.013 25439 853 1 2 . 1 1 22 22 THR CB C 22 68.731 68.731 68.485 0.246 25439 854 1 2 . 1 1 22 22 THR H H 22 7.331 7.331 8.297 -0.966 25439 855 1 2 . 1 1 23 23 LEU N N 23 120.152 120.152 120.561 -0.409 25439 856 1 2 . 1 1 23 23 LEU HA H 23 4.397 4.397 3.956 0.441 25439 857 1 2 . 1 1 23 23 LEU CA C 23 58.740 58.740 57.812 0.928 25439 858 1 2 . 1 1 23 23 LEU CB C 23 40.489 40.489 41.850 -1.361 25439 859 1 2 . 1 1 23 23 LEU H H 23 7.991 7.991 7.468 0.523 25439 860 1 2 . 1 1 24 24 THR N N 24 119.365 119.365 115.636 3.729 25439 861 1 2 . 1 1 24 24 THR HA H 24 4.095 4.095 3.938 0.157 25439 862 1 2 . 1 1 24 24 THR CA C 24 66.834 66.834 67.216 -0.382 25439 863 1 2 . 1 1 24 24 THR CB C 24 68.614 68.614 68.384 0.230 25439 864 1 2 . 1 1 24 24 THR H H 24 9.175 9.175 7.441 1.734 25439 865 1 2 . 1 1 25 25 ASP N N 25 122.865 122.865 121.776 1.089 25439 866 1 2 . 1 1 25 25 ASP HA H 25 4.483 4.483 4.387 0.096 25439 867 1 2 . 1 1 25 25 ASP CA C 25 58.158 58.158 57.939 0.219 25439 868 1 2 . 1 1 25 25 ASP CB C 25 40.329 40.329 40.384 -0.055 25439 869 1 2 . 1 1 25 25 ASP H H 25 7.714 7.714 7.877 -0.163 25439 870 1 2 . 1 1 26 26 PHE N N 26 116.182 116.182 118.286 -2.104 25439 871 1 2 . 1 1 26 26 PHE HA H 26 4.457 4.457 4.167 0.290 25439 872 1 2 . 1 1 26 26 PHE CA C 26 62.531 62.531 61.902 0.629 25439 873 1 2 . 1 1 26 26 PHE CB C 26 39.468 39.468 38.899 0.569 25439 874 1 2 . 1 1 26 26 PHE H H 26 7.816 7.816 7.923 -0.107 25439 875 1 2 . 1 1 27 27 GLU N N 27 120.107 120.107 119.109 0.998 25439 876 1 2 . 1 1 27 27 GLU HA H 27 4.113 4.113 4.037 0.076 25439 877 1 2 . 1 1 27 27 GLU CA C 27 59.852 59.852 59.953 -0.101 25439 878 1 2 . 1 1 27 27 GLU CB C 27 29.692 29.692 29.089 0.603 25439 879 1 2 . 1 1 27 27 GLU H H 27 8.068 8.068 7.887 0.181 25439 880 1 2 . 1 1 28 28 ILE N N 28 121.494 121.494 119.970 1.524 25439 881 1 2 . 1 1 28 28 ILE HA H 28 3.718 3.718 3.755 -0.037 25439 882 1 2 . 1 1 28 28 ILE CA C 28 65.002 65.002 65.061 -0.059 25439 883 1 2 . 1 1 28 28 ILE CB C 28 38.023 38.023 37.883 0.140 25439 884 1 2 . 1 1 28 28 ILE H H 28 8.531 8.531 7.361 1.170 25439 885 1 2 . 1 1 29 29 GLN N N 29 118.941 118.941 120.174 -1.233 25439 886 1 2 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.046 0.134 25439 887 1 2 . 1 1 29 29 GLN CA C 29 59.507 59.507 58.775 0.732 25439 888 1 2 . 1 1 29 29 GLN CB C 29 29.783 29.783 28.641 1.142 25439 889 1 2 . 1 1 29 29 GLN H H 29 8.117 8.117 7.589 0.528 25439 890 1 2 . 1 1 30 30 LEU N N 30 121.724 121.724 121.035 0.689 25439 891 1 2 . 1 1 30 30 LEU HA H 30 4.032 4.032 3.978 0.054 25439 892 1 2 . 1 1 30 30 LEU CA C 30 58.333 58.333 58.355 -0.022 25439 893 1 2 . 1 1 30 30 LEU CB C 30 42.339 42.339 41.944 0.395 25439 894 1 2 . 1 1 30 30 LEU H H 30 8.677 8.677 8.791 -0.114 25439 895 1 2 . 1 1 31 31 ARG N N 31 120.629 120.629 119.647 0.982 25439 896 1 2 . 1 1 31 31 ARG HA H 31 4.105 4.105 3.873 0.232 25439 897 1 2 . 1 1 31 31 ARG CA C 31 59.340 59.340 60.230 -0.890 25439 898 1 2 . 1 1 31 31 ARG CB C 31 30.044 30.044 29.758 0.286 25439 899 1 2 . 1 1 31 31 ARG H H 31 8.227 8.227 8.560 -0.333 25439 900 1 2 . 1 1 32 32 ASP N N 32 120.233 120.233 119.803 0.430 25439 901 1 2 . 1 1 32 32 ASP HA H 32 4.484 4.484 4.379 0.105 25439 902 1 2 . 1 1 32 32 ASP CA C 32 57.199 57.199 57.600 -0.401 25439 903 1 2 . 1 1 32 32 ASP CB C 32 40.202 40.202 40.544 -0.342 25439 904 1 2 . 1 1 32 32 ASP H H 32 8.407 8.407 7.732 0.675 25439 905 1 2 . 1 1 33 33 ALA N N 33 121.939 121.939 122.308 -0.369 25439 906 1 2 . 1 1 33 33 ALA HA H 33 4.321 4.321 4.032 0.289 25439 907 1 2 . 1 1 33 33 ALA CA C 33 54.207 54.207 55.179 -0.973 25439 908 1 2 . 1 1 33 33 ALA CB C 33 18.738 18.738 18.286 0.452 25439 909 1 2 . 1 1 33 33 ALA H H 33 8.057 8.057 7.521 0.536 25439 910 1 2 . 1 1 34 34 GLN N N 34 114.736 114.736 117.501 -2.765 25439 911 1 2 . 1 1 34 34 GLN HA H 34 4.248 4.248 4.028 0.220 25439 912 1 2 . 1 1 34 34 GLN CA C 34 56.567 56.567 58.968 -2.401 25439 913 1 2 . 1 1 34 34 GLN CB C 34 29.743 29.743 28.623 1.120 25439 914 1 2 . 1 1 34 34 GLN H H 34 7.746 7.746 8.598 -0.852 25439 915 1 2 . 1 1 35 35 LYS N N 35 120.534 120.534 119.189 1.345 25439 916 1 2 . 1 1 35 35 LYS HA H 35 4.232 4.232 4.251 -0.019 25439 917 1 2 . 1 1 35 35 LYS CA C 35 57.427 57.427 58.467 -1.040 25439 918 1 2 . 1 1 35 35 LYS CB C 35 32.887 32.887 32.634 0.253 25439 919 1 2 . 1 1 35 35 LYS H H 35 7.570 7.570 8.112 -0.542 25439 920 1 2 . 1 1 36 36 ASP N N 36 120.943 120.943 121.030 -0.087 25439 921 1 2 . 1 1 36 36 ASP HA H 36 4.595 4.595 4.366 0.229 25439 922 1 2 . 1 1 36 36 ASP CA C 36 54.983 54.983 57.336 -2.353 25439 923 1 2 . 1 1 36 36 ASP CB C 36 41.129 41.129 40.849 0.280 25439 924 1 2 . 1 1 36 36 ASP H H 36 8.375 8.375 8.516 -0.141 25439 925 1 2 . 1 1 37 37 LYS N N 37 122.598 122.598 119.336 3.262 25439 926 1 2 . 1 1 37 37 LYS HA H 37 4.365 4.365 4.068 0.297 25439 927 1 2 . 1 1 37 37 LYS CA C 37 56.725 56.725 58.451 -1.726 25439 928 1 2 . 1 1 37 37 LYS CB C 37 32.823 32.823 32.544 0.279 25439 929 1 2 . 1 1 37 37 LYS H H 37 8.446 8.446 7.771 0.675 25439 930 1 2 . 1 1 38 38 SER N N 38 115.849 115.849 111.931 3.918 25439 931 1 2 . 1 1 38 38 SER HA H 38 4.423 4.423 4.645 -0.222 25439 932 1 2 . 1 1 38 38 SER CA C 38 59.193 59.193 58.195 0.998 25439 933 1 2 . 1 1 38 38 SER CB C 38 63.744 63.744 63.323 0.421 25439 934 1 2 . 1 1 38 38 SER H H 38 8.392 8.392 7.640 0.752 25439 935 1 2 . 1 1 39 39 SER N N 39 117.258 117.258 116.667 0.591 25439 936 1 2 . 1 1 39 39 SER HA H 39 4.445 4.445 4.498 -0.053 25439 937 1 2 . 1 1 39 39 SER CA C 39 58.933 58.933 58.468 0.465 25439 938 1 2 . 1 1 39 39 SER CB C 39 63.711 63.711 64.115 -0.404 25439 939 1 2 . 1 1 39 39 SER H H 39 8.283 8.283 8.054 0.229 25439 940 1 2 . 1 1 40 40 LYS N N 40 122.427 122.427 123.679 -1.252 25439 941 1 2 . 1 1 40 40 LYS HA H 40 4.321 4.321 4.476 -0.155 25439 942 1 2 . 1 1 40 40 LYS CA C 40 56.847 56.847 55.358 1.489 25439 943 1 2 . 1 1 40 40 LYS CB C 40 32.764 32.764 33.093 -0.329 25439 944 1 2 . 1 1 40 40 LYS H H 40 8.263 8.263 7.871 0.392 25439 945 1 2 . 1 1 41 41 LEU N N 41 121.281 121.281 124.883 -3.602 25439 946 1 2 . 1 1 41 41 LEU HA H 41 4.308 4.308 4.558 -0.250 25439 947 1 2 . 1 1 41 41 LEU CA C 41 55.335 55.335 54.923 0.412 25439 948 1 2 . 1 1 41 41 LEU CB C 41 42.212 42.212 42.236 -0.024 25439 949 1 2 . 1 1 41 41 LEU H H 41 8.068 8.068 8.729 -0.661 25439 950 1 2 . 1 1 42 42 ALA N N 42 123.964 123.964 123.595 0.369 25439 951 1 2 . 1 1 42 42 ALA HA H 42 4.274 4.274 4.556 -0.282 25439 952 1 2 . 1 1 42 42 ALA CA C 42 52.851 52.851 52.374 0.477 25439 953 1 2 . 1 1 42 42 ALA CB C 42 19.135 19.135 19.366 -0.231 25439 954 1 2 . 1 1 42 42 ALA H H 42 8.111 8.111 8.196 -0.085 25439 955 1 2 . 1 1 43 43 ALA N N 43 122.146 122.146 122.242 -0.096 25439 956 1 2 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.543 -0.246 25439 957 1 2 . 1 1 43 43 ALA CA C 43 52.727 52.727 51.695 1.032 25439 958 1 2 . 1 1 43 43 ALA CB C 43 19.318 19.318 19.976 -0.658 25439 959 1 2 . 1 1 43 43 ALA H H 43 8.101 8.101 7.555 0.546 25439 960 1 2 . 1 1 44 44 LYS N N 44 119.454 119.454 118.786 0.668 25439 961 1 2 . 1 1 44 44 LYS HA H 44 4.349 4.349 3.990 0.359 25439 962 1 2 . 1 1 44 44 LYS CA C 44 56.267 56.267 56.945 -0.678 25439 963 1 2 . 1 1 44 44 LYS CB C 44 32.825 32.825 30.838 1.987 25439 964 1 2 . 1 1 44 44 LYS H H 44 8.198 8.198 8.463 -0.265 25439 965 1 2 . 1 1 45 45 SER N N 45 116.660 116.660 112.856 3.804 25439 966 1 2 . 1 1 45 45 SER HA H 45 4.368 4.368 4.445 -0.077 25439 967 1 2 . 1 1 45 45 SER CA C 45 58.477 58.477 58.237 0.240 25439 968 1 2 . 1 1 45 45 SER CB C 45 64.063 64.063 64.468 -0.405 25439 969 1 2 . 1 1 45 45 SER H H 45 8.251 8.251 8.200 0.051 25439 970 1 2 . 1 1 46 46 ASN N N 46 120.516 120.516 120.740 -0.224 25439 971 1 2 . 1 1 46 46 ASN HA H 46 4.361 4.361 4.220 0.141 25439 972 1 2 . 1 1 46 46 ASN CA C 46 54.657 54.657 56.021 -1.364 25439 973 1 2 . 1 1 46 46 ASN CB C 46 37.649 37.649 37.934 -0.285 25439 974 1 2 . 1 1 46 46 ASN H H 46 8.498 8.498 8.516 -0.018 25439 975 1 2 . 1 1 47 47 GLU N N 47 117.964 117.964 117.253 0.711 25439 976 1 2 . 1 1 47 47 GLU HA H 47 3.350 3.350 2.971 0.379 25439 977 1 2 . 1 1 47 47 GLU CA C 47 59.213 59.213 58.944 0.269 25439 978 1 2 . 1 1 47 47 GLU CB C 47 28.998 28.998 28.931 0.067 25439 979 1 2 . 1 1 47 47 GLU H H 47 8.016 8.016 8.348 -0.332 25439 980 1 2 . 1 1 48 48 GLN N N 48 119.468 119.468 119.188 0.280 25439 981 1 2 . 1 1 48 48 GLN HA H 48 4.250 4.250 4.280 -0.030 25439 982 1 2 . 1 1 48 48 GLN CA C 48 58.529 58.529 58.176 0.353 25439 983 1 2 . 1 1 48 48 GLN CB C 48 28.902 28.902 28.200 0.703 25439 984 1 2 . 1 1 48 48 GLN H H 48 7.892 7.892 7.356 0.536 25439 985 1 2 . 1 1 49 49 LEU N N 49 120.145 120.145 120.023 0.122 25439 986 1 2 . 1 1 49 49 LEU HA H 49 4.232 4.232 3.929 0.303 25439 987 1 2 . 1 1 49 49 LEU CA C 49 57.479 57.479 57.901 -0.422 25439 988 1 2 . 1 1 49 49 LEU CB C 49 41.391 41.391 41.852 -0.461 25439 989 1 2 . 1 1 49 49 LEU H H 49 7.699 7.699 7.326 0.373 25439 990 1 2 . 1 1 50 50 TRP N N 50 119.596 119.596 117.733 1.863 25439 991 1 2 . 1 1 50 50 TRP HA H 50 4.520 4.520 4.503 0.017 25439 992 1 2 . 1 1 50 50 TRP CA C 50 58.353 58.353 57.376 0.977 25439 993 1 2 . 1 1 50 50 TRP CB C 50 28.880 28.880 27.893 0.987 25439 994 1 2 . 1 1 50 50 TRP H H 50 8.385 8.385 7.495 0.890 25439 995 1 2 . 1 1 51 51 GLU N N 51 119.362 119.362 118.860 0.502 25439 996 1 2 . 1 1 51 51 GLU HA H 51 4.145 4.145 4.087 0.058 25439 997 1 2 . 1 1 51 51 GLU CA C 51 60.035 60.035 59.399 0.636 25439 998 1 2 . 1 1 51 51 GLU CB C 51 29.675 29.675 29.271 0.404 25439 999 1 2 . 1 1 51 51 GLU H H 51 8.223 8.223 7.810 0.413 25439 1000 1 2 . 1 1 52 52 ILE N N 52 119.018 119.018 120.151 -1.133 25439 1001 1 2 . 1 1 52 52 ILE HA H 52 3.673 3.673 3.716 -0.043 25439 1002 1 2 . 1 1 52 52 ILE CA C 52 65.511 65.511 65.295 0.216 25439 1003 1 2 . 1 1 52 52 ILE CB C 52 38.532 38.532 38.188 0.344 25439 1004 1 2 . 1 1 52 52 ILE H H 52 7.801 7.801 7.581 0.220 25439 1005 1 2 . 1 1 53 53 MET N N 53 118.133 118.133 116.751 1.382 25439 1006 1 2 . 1 1 53 53 MET HA H 53 4.452 4.452 4.065 0.387 25439 1007 1 2 . 1 1 53 53 MET CA C 53 58.216 58.216 58.677 -0.461 25439 1008 1 2 . 1 1 53 53 MET CB C 53 31.838 31.838 31.877 -0.039 25439 1009 1 2 . 1 1 53 53 MET H H 53 8.411 8.411 7.509 0.902 25439 1010 1 2 . 1 1 54 54 GLN N N 54 120.855 120.855 118.777 2.078 25439 1011 1 2 . 1 1 54 54 GLN HA H 54 4.333 4.333 4.070 0.263 25439 1012 1 2 . 1 1 54 54 GLN CA C 54 59.004 59.004 58.640 0.364 25439 1013 1 2 . 1 1 54 54 GLN CB C 54 27.824 27.824 28.832 -1.008 25439 1014 1 2 . 1 1 54 54 GLN H H 54 8.860 8.860 8.564 0.296 25439 1015 1 2 . 1 1 55 55 LEU N N 55 122.788 122.788 120.045 2.743 25439 1016 1 2 . 1 1 55 55 LEU HA H 55 4.302 4.302 4.170 0.132 25439 1017 1 2 . 1 1 55 55 LEU CA C 55 58.685 58.685 57.933 0.752 25439 1018 1 2 . 1 1 55 55 LEU CB C 55 42.695 42.695 41.748 0.946 25439 1019 1 2 . 1 1 55 55 LEU H H 55 8.298 8.298 8.152 0.146 25439 1020 1 2 . 1 1 56 56 HIS N N 56 118.426 118.426 118.134 0.292 25439 1021 1 2 . 1 1 56 56 HIS HA H 56 4.317 4.317 4.228 0.089 25439 1022 1 2 . 1 1 56 56 HIS CA C 56 60.732 60.732 59.733 0.999 25439 1023 1 2 . 1 1 56 56 HIS CB C 56 30.530 30.530 29.447 1.083 25439 1024 1 2 . 1 1 56 56 HIS H H 56 8.416 8.416 7.799 0.617 25439 1025 1 2 . 1 1 57 57 HIS N N 57 121.197 121.197 119.312 1.885 25439 1026 1 2 . 1 1 57 57 HIS HA H 57 4.318 4.318 4.456 -0.138 25439 1027 1 2 . 1 1 57 57 HIS CA C 57 60.739 60.739 58.711 2.028 25439 1028 1 2 . 1 1 57 57 HIS CB C 57 28.726 28.726 30.096 -1.370 25439 1029 1 2 . 1 1 57 57 HIS H H 57 8.608 8.608 8.259 0.349 25439 1030 1 2 . 1 1 58 58 GLN N N 58 118.739 118.739 118.425 0.314 25439 1031 1 2 . 1 1 58 58 GLN HA H 58 4.202 4.202 4.175 0.027 25439 1032 1 2 . 1 1 58 58 GLN CA C 58 59.507 59.507 59.249 0.258 25439 1033 1 2 . 1 1 58 58 GLN CB C 58 29.111 29.111 28.563 0.548 25439 1034 1 2 . 1 1 58 58 GLN H H 58 9.206 9.206 8.307 0.899 25439 1035 1 2 . 1 1 59 59 ARG N N 59 122.498 122.498 120.258 2.240 25439 1036 1 2 . 1 1 59 59 ARG HA H 59 3.437 3.437 3.714 -0.277 25439 1037 1 2 . 1 1 59 59 ARG CA C 59 60.361 60.361 59.417 0.944 25439 1038 1 2 . 1 1 59 59 ARG H H 59 8.623 8.623 8.268 0.355 25439 1039 1 2 . 1 1 60 60 SER N N 60 114.930 114.930 115.448 -0.518 25439 1040 1 2 . 1 1 60 60 SER HA H 60 4.515 4.515 4.239 0.276 25439 1041 1 2 . 1 1 60 60 SER CA C 60 64.832 64.832 62.099 2.733 25439 1042 1 2 . 1 1 60 60 SER CB C 60 63.583 63.583 62.809 0.775 25439 1043 1 2 . 1 1 60 60 SER H H 60 7.993 7.993 8.471 -0.478 25439 1044 1 2 . 1 1 61 61 ARG N N 61 124.417 124.417 122.535 1.882 25439 1045 1 2 . 1 1 61 61 ARG HA H 61 4.204 4.204 4.032 0.172 25439 1046 1 2 . 1 1 61 61 ARG CA C 61 58.852 58.852 59.716 -0.864 25439 1047 1 2 . 1 1 61 61 ARG CB C 61 29.077 29.077 30.163 -1.086 25439 1048 1 2 . 1 1 61 61 ARG H H 61 9.569 9.569 8.550 1.019 25439 1049 1 2 . 1 1 62 62 TYR N N 62 124.484 124.484 121.095 3.389 25439 1050 1 2 . 1 1 62 62 TYR HA H 62 4.676 4.676 4.284 0.392 25439 1051 1 2 . 1 1 62 62 TYR CA C 62 61.006 61.006 61.985 -0.979 25439 1052 1 2 . 1 1 62 62 TYR CB C 62 38.392 38.392 38.703 -0.311 25439 1053 1 2 . 1 1 62 62 TYR H H 62 8.622 8.622 8.157 0.465 25439 1054 1 2 . 1 1 63 63 ILE N N 63 119.789 119.789 119.070 0.719 25439 1055 1 2 . 1 1 63 63 ILE HA H 63 3.492 3.492 3.751 -0.259 25439 1056 1 2 . 1 1 63 63 ILE CA C 63 65.693 65.693 65.668 0.025 25439 1057 1 2 . 1 1 63 63 ILE CB C 63 38.023 38.023 38.232 -0.209 25439 1058 1 2 . 1 1 63 63 ILE H H 63 7.588 7.588 8.361 -0.773 25439 1059 1 2 . 1 1 64 64 TYR N N 64 120.485 120.485 121.206 -0.721 25439 1060 1 2 . 1 1 64 64 TYR HA H 64 4.577 4.577 4.241 0.336 25439 1061 1 2 . 1 1 64 64 TYR CA C 64 61.759 61.759 62.525 -0.766 25439 1062 1 2 . 1 1 64 64 TYR CB C 64 39.772 39.772 38.597 1.175 25439 1063 1 2 . 1 1 64 64 TYR H H 64 9.166 9.166 9.148 0.018 25439 1064 1 2 . 1 1 65 65 THR N N 65 117.072 117.072 117.333 -0.261 25439 1065 1 2 . 1 1 65 65 THR HA H 65 3.562 3.562 4.006 -0.444 25439 1066 1 2 . 1 1 65 65 THR CA C 65 67.016 67.016 67.567 -0.551 25439 1067 1 2 . 1 1 65 65 THR CB C 65 68.711 68.711 68.868 -0.157 25439 1068 1 2 . 1 1 65 65 THR H H 65 8.987 8.987 8.848 0.139 25439 1069 1 2 . 1 1 66 66 LEU N N 66 122.107 122.107 120.423 1.684 25439 1070 1 2 . 1 1 66 66 LEU HA H 66 3.782 3.782 4.250 -0.468 25439 1071 1 2 . 1 1 66 66 LEU CA C 66 58.476 58.476 58.068 0.408 25439 1072 1 2 . 1 1 66 66 LEU CB C 66 43.183 43.183 41.007 2.176 25439 1073 1 2 . 1 1 66 66 LEU H H 66 8.286 8.286 7.695 0.591 25439 1074 1 2 . 1 1 67 67 TYR N N 67 115.264 115.264 119.463 -4.199 25439 1075 1 2 . 1 1 67 67 TYR HA H 67 4.344 4.344 4.053 0.291 25439 1076 1 2 . 1 1 67 67 TYR CA C 67 60.830 60.830 61.441 -0.611 25439 1077 1 2 . 1 1 67 67 TYR CB C 67 40.376 40.376 39.430 0.946 25439 1078 1 2 . 1 1 67 67 TYR H H 67 7.983 7.983 8.191 -0.208 25439 1079 1 2 . 1 1 68 68 TYR N N 68 113.945 113.945 116.548 -2.603 25439 1080 1 2 . 1 1 68 68 TYR HA H 68 3.699 3.699 4.227 -0.528 25439 1081 1 2 . 1 1 68 68 TYR CA C 68 62.030 62.030 60.156 1.874 25439 1082 1 2 . 1 1 68 68 TYR CB C 68 38.046 38.046 38.719 -0.673 25439 1083 1 2 . 1 1 68 68 TYR H H 68 8.297 8.297 8.227 0.070 25439 1084 1 2 . 1 1 69 69 LYS N N 69 114.346 114.346 118.617 -4.271 25439 1085 1 2 . 1 1 69 69 LYS HA H 69 4.564 4.564 4.385 0.179 25439 1086 1 2 . 1 1 69 69 LYS CA C 69 56.821 56.821 56.745 0.076 25439 1087 1 2 . 1 1 69 69 LYS CB C 69 31.980 31.980 33.654 -1.674 25439 1088 1 2 . 1 1 69 69 LYS H H 69 7.084 7.084 7.592 -0.508 25439 1089 1 2 . 1 1 70 70 ARG N N 70 114.676 114.676 119.831 -5.155 25439 1090 1 2 . 1 1 70 70 ARG HA H 70 4.251 4.251 4.136 0.115 25439 1091 1 2 . 1 1 70 70 ARG CA C 70 56.314 56.314 57.447 -1.133 25439 1092 1 2 . 1 1 70 70 ARG CB C 70 31.128 31.128 30.700 0.428 25439 1093 1 2 . 1 1 70 70 ARG H H 70 8.178 8.178 8.156 0.022 25439 1094 1 2 . 1 1 71 71 LYS N N 71 115.371 115.371 115.766 -0.395 25439 1095 1 2 . 1 1 71 71 LYS HA H 71 4.036 4.036 3.794 0.242 25439 1096 1 2 . 1 1 71 71 LYS CA C 71 57.121 57.121 57.204 -0.083 25439 1097 1 2 . 1 1 71 71 LYS CB C 71 28.897 28.897 30.457 -1.560 25439 1098 1 2 . 1 1 71 71 LYS H H 71 6.843 6.843 7.849 -1.006 25439 1099 1 2 . 1 1 72 72 ALA N N 72 117.701 117.701 120.988 -3.287 25439 1100 1 2 . 1 1 72 72 ALA HA H 72 4.395 4.395 4.470 -0.075 25439 1101 1 2 . 1 1 72 72 ALA CA C 72 52.597 52.597 51.634 0.963 25439 1102 1 2 . 1 1 72 72 ALA CB C 72 21.560 21.560 20.032 1.528 25439 1103 1 2 . 1 1 72 72 ALA H H 72 8.560 8.560 7.653 0.907 25439 1104 1 2 . 1 1 73 73 ILE N N 73 107.605 107.605 115.968 -8.363 25439 1105 1 2 . 1 1 73 73 ILE CB C 73 42.724 42.724 41.891 0.833 25439 1106 1 2 . 1 1 73 73 ILE H H 73 7.074 7.074 7.508 -0.434 25439 1107 1 2 . 1 1 74 74 SER N N 74 118.425 118.425 118.151 0.274 25439 1108 1 2 . 1 1 74 74 SER HA H 74 4.484 4.484 4.889 -0.405 25439 1109 1 2 . 1 1 74 74 SER CA C 74 57.082 57.082 57.088 -0.006 25439 1110 1 2 . 1 1 74 74 SER CB C 74 65.396 65.396 64.833 0.563 25439 1111 1 2 . 1 1 74 74 SER H H 74 8.797 8.797 8.517 0.280 25439 1112 1 2 . 1 1 75 75 LYS N N 75 121.891 121.891 124.825 -2.934 25439 1113 1 2 . 1 1 75 75 LYS HA H 75 3.851 3.851 4.175 -0.324 25439 1114 1 2 . 1 1 75 75 LYS CA C 75 59.624 59.624 60.076 -0.452 25439 1115 1 2 . 1 1 75 75 LYS CB C 75 32.368 32.368 32.522 -0.154 25439 1116 1 2 . 1 1 75 75 LYS H H 75 9.024 9.024 9.107 -0.083 25439 1117 1 2 . 1 1 76 76 ASP N N 76 115.908 115.908 118.548 -2.640 25439 1118 1 2 . 1 1 76 76 ASP HA H 76 4.423 4.423 4.410 0.013 25439 1119 1 2 . 1 1 76 76 ASP CA C 76 57.362 57.362 57.336 0.026 25439 1120 1 2 . 1 1 76 76 ASP CB C 76 40.391 40.391 40.231 0.160 25439 1121 1 2 . 1 1 76 76 ASP H H 76 8.161 8.161 8.486 -0.325 25439 1122 1 2 . 1 1 77 77 LEU N N 77 121.705 121.705 121.373 0.332 25439 1123 1 2 . 1 1 77 77 LEU HA H 77 4.180 4.180 4.117 0.063 25439 1124 1 2 . 1 1 77 77 LEU CA C 77 57.818 57.818 57.832 -0.014 25439 1125 1 2 . 1 1 77 77 LEU H H 77 8.345 8.345 7.738 0.607 25439 1126 1 2 . 1 1 78 78 TYR N N 78 121.511 121.511 119.922 1.589 25439 1127 1 2 . 1 1 78 78 TYR HA H 78 3.789 3.789 4.001 -0.212 25439 1128 1 2 . 1 1 78 78 TYR CA C 78 62.857 62.857 60.636 2.221 25439 1129 1 2 . 1 1 78 78 TYR CB C 78 38.369 38.369 37.753 0.616 25439 1130 1 2 . 1 1 78 78 TYR H H 78 8.598 8.598 8.631 -0.033 25439 1131 1 2 . 1 1 79 79 ASP N N 79 117.189 117.189 119.725 -2.536 25439 1132 1 2 . 1 1 79 79 ASP HA H 79 4.066 4.066 4.017 0.049 25439 1133 1 2 . 1 1 79 79 ASP CA C 79 57.219 57.219 56.892 0.327 25439 1134 1 2 . 1 1 79 79 ASP CB C 79 40.003 40.003 40.601 -0.598 25439 1135 1 2 . 1 1 79 79 ASP H H 79 9.106 9.106 8.537 0.569 25439 1136 1 2 . 1 1 80 80 TRP N N 80 123.400 123.400 122.574 0.826 25439 1137 1 2 . 1 1 80 80 TRP HA H 80 4.160 4.160 4.117 0.043 25439 1138 1 2 . 1 1 80 80 TRP CA C 80 62.368 62.368 61.862 0.506 25439 1139 1 2 . 1 1 80 80 TRP CB C 80 29.969 29.969 29.358 0.611 25439 1140 1 2 . 1 1 80 80 TRP H H 80 7.931 7.931 8.478 -0.547 25439 1141 1 2 . 1 1 81 81 LEU N N 81 119.674 119.674 118.741 0.933 25439 1142 1 2 . 1 1 81 81 LEU HA H 81 3.971 3.971 2.702 1.269 25439 1143 1 2 . 1 1 81 81 LEU CA C 81 58.294 58.294 57.590 0.704 25439 1144 1 2 . 1 1 81 81 LEU CB C 81 41.818 41.818 41.539 0.279 25439 1145 1 2 . 1 1 81 81 LEU H H 81 8.814 8.814 8.235 0.579 25439 1146 1 2 . 1 1 82 82 ILE N N 82 118.746 118.746 119.178 -0.432 25439 1147 1 2 . 1 1 82 82 ILE HA H 82 3.861 3.861 3.890 -0.029 25439 1148 1 2 . 1 1 82 82 ILE CA C 82 62.734 62.734 64.166 -1.432 25439 1149 1 2 . 1 1 82 82 ILE CB C 82 36.236 36.236 37.979 -1.743 25439 1150 1 2 . 1 1 82 82 ILE H H 82 7.886 7.886 7.595 0.291 25439 1151 1 2 . 1 1 83 83 LYS N N 83 124.819 124.819 118.913 5.906 25439 1152 1 2 . 1 1 83 83 LYS HA H 83 3.911 3.911 4.104 -0.193 25439 1153 1 2 . 1 1 83 83 LYS CA C 83 59.643 59.643 57.950 1.692 25439 1154 1 2 . 1 1 83 83 LYS CB C 83 32.027 32.027 32.726 -0.699 25439 1155 1 2 . 1 1 83 83 LYS H H 83 8.224 8.224 7.563 0.661 25439 1156 1 2 . 1 1 84 84 GLU N N 84 115.404 115.404 118.560 -3.156 25439 1157 1 2 . 1 1 84 84 GLU HA H 84 3.841 3.841 4.213 -0.372 25439 1158 1 2 . 1 1 84 84 GLU CA C 84 55.582 55.582 55.166 0.416 25439 1159 1 2 . 1 1 84 84 GLU CB C 84 29.459 29.459 28.473 0.986 25439 1160 1 2 . 1 1 84 84 GLU H H 84 8.138 8.138 7.205 0.933 25439 1161 1 2 . 1 1 85 85 LYS N N 85 111.563 111.563 118.223 -6.660 25439 1162 1 2 . 1 1 85 85 LYS HA H 85 3.820 3.820 3.940 -0.120 25439 1163 1 2 . 1 1 85 85 LYS CA C 85 57.890 57.890 57.354 0.536 25439 1164 1 2 . 1 1 85 85 LYS CB C 85 28.005 28.005 30.342 -2.337 25439 1165 1 2 . 1 1 85 85 LYS H H 85 7.719 7.719 7.948 -0.229 25439 1166 1 2 . 1 1 86 86 TYR N N 86 116.916 116.916 118.262 -1.346 25439 1167 1 2 . 1 1 86 86 TYR HA H 86 4.137 4.137 4.471 -0.334 25439 1168 1 2 . 1 1 86 86 TYR CA C 86 61.228 61.228 59.050 2.178 25439 1169 1 2 . 1 1 86 86 TYR CB C 86 39.535 39.535 40.536 -1.001 25439 1170 1 2 . 1 1 86 86 TYR H H 86 8.521 8.521 7.867 0.654 25439 1171 1 2 . 1 1 87 87 ALA N N 87 113.715 113.715 118.303 -4.588 25439 1172 1 2 . 1 1 87 87 ALA HA H 87 4.738 4.738 4.657 0.081 25439 1173 1 2 . 1 1 87 87 ALA CA C 87 49.121 49.121 50.715 -1.594 25439 1174 1 2 . 1 1 87 87 ALA CB C 87 23.295 23.295 21.787 1.508 25439 1175 1 2 . 1 1 87 87 ALA H H 87 6.959 6.959 7.887 -0.928 25439 1176 1 2 . 1 1 88 88 ASP N N 88 119.344 119.344 119.466 -0.122 25439 1177 1 2 . 1 1 88 88 ASP HA H 88 4.544 4.544 4.895 -0.351 25439 1178 1 2 . 1 1 88 88 ASP CA C 88 52.714 52.714 53.310 -0.596 25439 1179 1 2 . 1 1 88 88 ASP CB C 88 41.845 41.845 43.310 -1.465 25439 1180 1 2 . 1 1 88 88 ASP H H 88 7.870 7.870 8.666 -0.796 25439 1181 1 2 . 1 1 89 89 LYS N N 89 125.312 125.312 126.478 -1.166 25439 1182 1 2 . 1 1 89 89 LYS HA H 89 3.834 3.834 4.129 -0.295 25439 1183 1 2 . 1 1 89 89 LYS CA C 89 59.409 59.409 59.805 -0.396 25439 1184 1 2 . 1 1 89 89 LYS CB C 89 32.848 32.848 32.571 0.277 25439 1185 1 2 . 1 1 89 89 LYS H H 89 8.467 8.467 8.758 -0.291 25439 1186 1 2 . 1 1 90 90 LEU N N 90 119.899 119.899 120.568 -0.669 25439 1187 1 2 . 1 1 90 90 LEU HA H 90 4.023 4.023 4.074 -0.051 25439 1188 1 2 . 1 1 90 90 LEU CA C 90 57.049 57.049 57.862 -0.813 25439 1189 1 2 . 1 1 90 90 LEU CB C 90 41.099 41.099 41.461 -0.362 25439 1190 1 2 . 1 1 90 90 LEU H H 90 8.076 8.076 8.010 0.066 25439 1191 1 2 . 1 1 91 91 LEU N N 91 123.148 123.148 120.213 2.935 25439 1192 1 2 . 1 1 91 91 LEU HA H 91 3.498 3.498 3.782 -0.284 25439 1193 1 2 . 1 1 91 91 LEU CA C 91 56.971 56.971 57.816 -0.845 25439 1194 1 2 . 1 1 91 91 LEU CB C 91 41.823 41.823 41.665 0.158 25439 1195 1 2 . 1 1 91 91 LEU H H 91 7.120 7.120 7.762 -0.642 25439 1196 1 2 . 1 1 92 92 ILE N N 92 116.780 116.780 118.614 -1.834 25439 1197 1 2 . 1 1 92 92 ILE HA H 92 3.265 3.265 3.874 -0.609 25439 1198 1 2 . 1 1 92 92 ILE CA C 92 65.178 65.178 65.387 -0.209 25439 1199 1 2 . 1 1 92 92 ILE CB C 92 38.209 38.209 37.801 0.408 25439 1200 1 2 . 1 1 92 92 ILE H H 92 7.384 7.384 7.747 -0.363 25439 1201 1 2 . 1 1 93 93 ALA N N 93 117.061 117.061 122.452 -5.391 25439 1202 1 2 . 1 1 93 93 ALA HA H 93 3.930 3.930 4.052 -0.122 25439 1203 1 2 . 1 1 93 93 ALA CA C 93 54.839 54.839 55.521 -0.682 25439 1204 1 2 . 1 1 93 93 ALA CB C 93 18.125 18.125 18.147 -0.022 25439 1205 1 2 . 1 1 93 93 ALA H H 93 7.437 7.437 8.727 -1.290 25439 1206 1 2 . 1 1 94 94 LYS N N 94 116.036 116.036 118.834 -2.798 25439 1207 1 2 . 1 1 94 94 LYS HA H 94 3.803 3.803 3.521 0.282 25439 1208 1 2 . 1 1 94 94 LYS CA C 94 56.945 56.945 58.434 -1.489 25439 1209 1 2 . 1 1 94 94 LYS CB C 94 31.047 31.047 31.552 -0.505 25439 1210 1 2 . 1 1 94 94 LYS H H 94 7.012 7.012 7.588 -0.576 25439 1211 1 2 . 1 1 95 95 TRP N N 95 118.700 118.700 116.546 2.154 25439 1212 1 2 . 1 1 95 95 TRP HA H 95 4.814 4.814 4.520 0.294 25439 1213 1 2 . 1 1 95 95 TRP CA C 95 57.136 57.136 59.264 -2.128 25439 1214 1 2 . 1 1 95 95 TRP CB C 95 28.171 28.171 29.035 -0.864 25439 1215 1 2 . 1 1 95 95 TRP H H 95 7.611 7.611 7.457 0.154 25439 1216 1 2 . 1 1 96 96 ARG N N 96 113.031 113.031 116.482 -3.451 25439 1217 1 2 . 1 1 96 96 ARG HA H 96 4.233 4.233 4.239 -0.006 25439 1218 1 2 . 1 1 96 96 ARG CA C 96 56.234 56.234 58.163 -1.929 25439 1219 1 2 . 1 1 96 96 ARG CB C 96 30.245 30.245 30.664 -0.419 25439 1220 1 2 . 1 1 96 96 ARG H H 96 7.066 7.066 7.529 -0.463 25439 1221 1 2 . 1 1 97 97 LYS N N 97 123.252 123.252 119.117 4.135 25439 1222 1 2 . 1 1 97 97 LYS HA H 97 4.634 4.634 4.276 0.358 25439 1223 1 2 . 1 1 97 97 LYS CA C 97 54.937 54.937 57.029 -2.092 25439 1224 1 2 . 1 1 97 97 LYS CB C 97 34.166 34.166 32.836 1.330 25439 1225 1 2 . 1 1 97 97 LYS H H 97 8.467 8.467 8.016 0.451 25439 1226 1 2 . 1 1 98 98 THR N N 98 119.993 119.993 114.781 5.212 25439 1227 1 2 . 1 1 98 98 THR HA H 98 4.224 4.224 4.438 -0.214 25439 1228 1 2 . 1 1 98 98 THR CA C 98 64.670 64.670 62.388 2.282 25439 1229 1 2 . 1 1 98 98 THR CB C 98 69.200 69.200 69.342 -0.142 25439 1230 1 2 . 1 1 98 98 THR H H 98 8.329 8.329 8.287 0.042 25439 1231 1 2 . 1 1 99 99 GLY N N 99 116.645 116.645 113.340 3.305 25439 1232 1 2 . 1 1 99 99 GLY CA C 99 45.047 45.047 44.851 0.196 25439 1233 1 2 . 1 1 99 99 GLY H H 99 9.273 9.273 8.734 0.539 25439 1234 1 2 . 1 1 100 100 TYR N N 100 120.784 120.784 118.853 1.931 25439 1235 1 2 . 1 1 100 100 TYR HA H 100 4.704 4.704 4.801 -0.097 25439 1236 1 2 . 1 1 100 100 TYR CA C 100 57.697 57.697 56.162 1.535 25439 1237 1 2 . 1 1 100 100 TYR CB C 100 39.413 39.413 37.606 1.807 25439 1238 1 2 . 1 1 100 100 TYR H H 100 8.457 8.457 8.128 0.329 25439 1239 1 2 . 1 1 101 101 GLU N N 101 119.482 119.482 122.520 -3.038 25439 1240 1 2 . 1 1 101 101 GLU HA H 101 4.601 4.601 4.532 0.069 25439 1241 1 2 . 1 1 101 101 GLU CA C 101 61.207 61.207 56.889 4.318 25439 1242 1 2 . 1 1 101 101 GLU CB C 101 29.648 29.648 30.574 -0.926 25439 1243 1 2 . 1 1 101 101 GLU H H 101 9.836 9.836 8.589 1.247 25439 1244 1 2 . 1 1 102 102 LYS N N 102 115.179 115.179 120.982 -5.803 25439 1245 1 2 . 1 1 102 102 LYS HA H 102 4.295 4.295 4.699 -0.404 25439 1246 1 2 . 1 1 102 102 LYS CA C 102 54.207 54.207 55.604 -1.397 25439 1247 1 2 . 1 1 102 102 LYS CB C 102 32.489 32.489 32.816 -0.327 25439 1248 1 2 . 1 1 102 102 LYS H H 102 8.291 8.291 8.191 0.100 25439 1249 1 2 . 1 1 103 103 LEU N N 103 119.637 119.637 117.133 2.504 25439 1250 1 2 . 1 1 103 103 LEU HA H 103 4.385 4.385 5.007 -0.622 25439 1251 1 2 . 1 1 103 103 LEU CA C 103 56.549 56.549 53.776 2.773 25439 1252 1 2 . 1 1 103 103 LEU CB C 103 43.864 43.864 44.533 -0.669 25439 1253 1 2 . 1 1 103 103 LEU H H 103 7.642 7.642 7.678 -0.036 25439 1254 1 2 . 1 1 104 104 CYS N N 104 129.651 129.651 116.537 13.114 25439 1255 1 2 . 1 1 104 104 CYS HA H 104 4.498 4.498 4.981 -0.483 25439 1256 1 2 . 1 1 104 104 CYS CA C 104 58.076 58.076 58.474 -0.398 25439 1257 1 2 . 1 1 104 104 CYS CB C 104 32.301 32.301 28.076 4.225 25439 1258 1 2 . 1 1 104 104 CYS H H 104 8.638 8.638 8.827 -0.189 25439 1259 1 2 . 1 1 105 105 CYS N N 105 120.206 120.206 118.295 1.911 25439 1260 1 2 . 1 1 105 105 CYS HA H 105 4.806 4.806 4.808 -0.002 25439 1261 1 2 . 1 1 105 105 CYS CA C 105 58.271 58.271 57.031 1.240 25439 1262 1 2 . 1 1 105 105 CYS CB C 105 32.062 32.062 30.001 2.061 25439 1263 1 2 . 1 1 105 105 CYS H H 105 8.158 8.158 8.007 0.151 25439 1264 1 2 . 1 1 106 106 LEU N N 106 115.513 115.513 120.989 -5.476 25439 1265 1 2 . 1 1 106 106 LEU HA H 106 4.054 4.054 4.225 -0.171 25439 1266 1 2 . 1 1 106 106 LEU CA C 106 56.110 56.110 56.504 -0.394 25439 1267 1 2 . 1 1 106 106 LEU CB C 106 41.227 41.227 42.352 -1.125 25439 1268 1 2 . 1 1 106 106 LEU H H 106 8.466 8.466 8.172 0.294 25439 1269 1 2 . 1 1 107 107 ARG N N 107 122.711 122.711 119.276 3.435 25439 1270 1 2 . 1 1 107 107 ARG HA H 107 3.993 3.993 4.624 -0.631 25439 1271 1 2 . 1 1 107 107 ARG CA C 107 58.311 58.311 56.385 1.926 25439 1272 1 2 . 1 1 107 107 ARG CB C 107 28.965 28.965 29.332 -0.367 25439 1273 1 2 . 1 1 107 107 ARG H H 107 8.131 8.131 8.202 -0.071 25439 1274 1 2 . 1 1 108 108 CYS N N 108 119.055 119.055 117.852 1.203 25439 1275 1 2 . 1 1 108 108 CYS HA H 108 4.101 4.101 4.736 -0.635 25439 1276 1 2 . 1 1 108 108 CYS CA C 108 63.936 63.936 57.687 6.249 25439 1277 1 2 . 1 1 108 108 CYS CB C 108 30.934 30.934 27.341 3.593 25439 1278 1 2 . 1 1 108 108 CYS H H 108 8.010 8.010 7.936 0.074 25439 1279 1 2 . 1 1 109 109 ILE N N 109 107.315 107.315 113.519 -6.204 25439 1280 1 2 . 1 1 109 109 ILE HA H 109 4.684 4.684 4.474 0.210 25439 1281 1 2 . 1 1 109 109 ILE CA C 109 60.483 60.483 61.039 -0.556 25439 1282 1 2 . 1 1 109 109 ILE CB C 109 38.320 38.320 38.866 -0.546 25439 1283 1 2 . 1 1 109 109 ILE H H 109 7.105 7.105 7.559 -0.454 25439 1284 1 2 . 1 1 110 110 GLN N N 110 122.468 122.468 121.179 1.289 25439 1285 1 2 . 1 1 110 110 GLN HA H 110 4.268 4.268 4.493 -0.225 25439 1286 1 2 . 1 1 110 110 GLN CA C 110 55.981 55.981 55.546 0.435 25439 1287 1 2 . 1 1 110 110 GLN CB C 110 29.656 29.656 29.154 0.502 25439 1288 1 2 . 1 1 110 110 GLN H H 110 7.156 7.156 8.106 -0.950 25439 1289 1 2 . 1 1 111 111 LYS N N 111 124.650 124.650 124.700 -0.050 25439 1290 1 2 . 1 1 111 111 LYS HA H 111 4.246 4.246 4.326 -0.080 25439 1291 1 2 . 1 1 111 111 LYS CA C 111 56.546 56.546 57.070 -0.524 25439 1292 1 2 . 1 1 111 111 LYS CB C 111 32.846 32.846 33.578 -0.732 25439 1293 1 2 . 1 1 111 111 LYS H H 111 8.522 8.522 8.483 0.039 25439 1294 1 2 . 1 1 112 112 ASN N N 112 120.972 120.972 117.391 3.581 25439 1295 1 2 . 1 1 112 112 ASN HA H 112 4.778 4.778 4.724 0.054 25439 1296 1 2 . 1 1 112 112 ASN CA C 112 52.902 52.902 52.994 -0.092 25439 1297 1 2 . 1 1 112 112 ASN CB C 112 39.328 39.328 39.883 -0.555 25439 1298 1 2 . 1 1 112 112 ASN H H 112 8.360 8.360 8.171 0.189 25439 1299 1 2 . 1 1 113 113 GLU N N 113 121.710 121.710 117.770 3.940 25439 1300 1 2 . 1 1 113 113 GLU HA H 113 4.248 4.248 4.119 0.129 25439 1301 1 2 . 1 1 113 113 GLU CA C 113 58.611 58.611 57.416 1.195 25439 1302 1 2 . 1 1 113 113 GLU CB C 113 29.590 29.590 28.816 0.774 25439 1303 1 2 . 1 1 113 113 GLU H H 113 9.023 9.023 8.750 0.273 25439 1304 1 2 . 1 1 114 114 THR N N 114 112.186 112.186 112.534 -0.348 25439 1305 1 2 . 1 1 114 114 THR HA H 114 4.321 4.321 4.646 -0.325 25439 1306 1 2 . 1 1 114 114 THR CA C 114 63.161 63.161 61.620 1.541 25439 1307 1 2 . 1 1 114 114 THR CB C 114 69.481 69.481 70.763 -1.282 25439 1308 1 2 . 1 1 114 114 THR H H 114 8.112 8.112 7.768 0.344 25439 1309 1 2 . 1 1 115 115 ASN N N 115 119.112 119.112 118.520 0.592 25439 1310 1 2 . 1 1 115 115 ASN HA H 115 4.829 4.829 4.871 -0.042 25439 1311 1 2 . 1 1 115 115 ASN CA C 115 53.110 53.110 53.256 -0.146 25439 1312 1 2 . 1 1 115 115 ASN CB C 115 38.659 38.659 39.233 -0.574 25439 1313 1 2 . 1 1 115 115 ASN H H 115 8.047 8.047 8.658 -0.611 25439 1314 1 2 . 1 1 116 116 ASN N N 116 117.175 117.175 118.219 -1.044 25439 1315 1 2 . 1 1 116 116 ASN HA H 116 4.615 4.615 4.954 -0.339 25439 1316 1 2 . 1 1 116 116 ASN CA C 116 53.965 53.965 53.024 0.941 25439 1317 1 2 . 1 1 116 116 ASN CB C 116 38.173 38.173 39.822 -1.649 25439 1318 1 2 . 1 1 116 116 ASN H H 116 8.364 8.364 8.413 -0.049 25439 1319 1 2 . 1 1 117 117 GLY N N 117 107.294 107.294 108.387 -1.093 25439 1320 1 2 . 1 1 117 117 GLY CA C 117 45.882 45.882 44.998 0.884 25439 1321 1 2 . 1 1 117 117 GLY H H 117 8.264 8.264 8.205 0.059 25439 1322 1 2 . 1 1 118 118 SER N N 118 115.475 115.475 113.584 1.891 25439 1323 1 2 . 1 1 118 118 SER HA H 118 4.586 4.586 4.616 -0.030 25439 1324 1 2 . 1 1 118 118 SER CA C 118 57.974 57.974 57.562 0.412 25439 1325 1 2 . 1 1 118 118 SER CB C 118 64.479 64.479 64.847 -0.368 25439 1326 1 2 . 1 1 118 118 SER H H 118 7.905 7.905 8.278 -0.373 25439 1327 1 2 . 1 1 119 119 THR N N 119 111.360 111.360 114.468 -3.108 25439 1328 1 2 . 1 1 119 119 THR HA H 119 4.450 4.450 4.640 -0.190 25439 1329 1 2 . 1 1 119 119 THR CA C 119 61.215 61.215 61.160 0.055 25439 1330 1 2 . 1 1 119 119 THR CB C 119 70.569 70.569 70.712 -0.143 25439 1331 1 2 . 1 1 119 119 THR H H 119 8.044 8.044 8.103 -0.059 25439 1332 1 2 . 1 1 120 120 CYS N N 120 122.708 122.708 121.033 1.675 25439 1333 1 2 . 1 1 120 120 CYS HA H 120 4.255 4.255 4.698 -0.443 25439 1334 1 2 . 1 1 120 120 CYS CA C 120 61.469 61.469 57.934 3.535 25439 1335 1 2 . 1 1 120 120 CYS CB C 120 30.892 30.892 28.959 1.933 25439 1336 1 2 . 1 1 120 120 CYS H H 120 8.045 8.045 8.544 -0.499 25439 1337 1 2 . 1 1 121 121 ILE N N 121 132.463 132.463 123.924 8.539 25439 1338 1 2 . 1 1 121 121 ILE HA H 121 4.025 4.025 3.865 0.161 25439 1339 1 2 . 1 1 121 121 ILE CA C 121 63.353 63.353 63.046 0.307 25439 1340 1 2 . 1 1 121 121 ILE CB C 121 38.222 38.222 37.718 0.504 25439 1341 1 2 . 1 1 121 121 ILE H H 121 8.237 8.237 8.425 -0.188 25439 1342 1 2 . 1 1 122 122 CYS N N 122 123.931 123.931 117.979 5.952 25439 1343 1 2 . 1 1 122 122 CYS HA H 122 4.233 4.233 3.855 0.378 25439 1344 1 2 . 1 1 122 122 CYS CA C 122 60.230 60.230 60.405 -0.175 25439 1345 1 2 . 1 1 122 122 CYS CB C 122 30.602 30.602 25.801 4.801 25439 1346 1 2 . 1 1 122 122 CYS H H 122 9.355 9.355 7.485 1.870 25439 1347 1 2 . 1 1 123 123 ARG N N 123 119.561 119.561 121.312 -1.751 25439 1348 1 2 . 1 1 123 123 ARG HA H 123 4.150 4.150 4.299 -0.149 25439 1349 1 2 . 1 1 123 123 ARG CA C 123 53.177 53.177 58.263 -5.086 25439 1350 1 2 . 1 1 123 123 ARG CB C 123 27.961 27.961 30.225 -2.264 25439 1351 1 2 . 1 1 123 123 ARG H H 123 7.677 7.677 7.914 -0.237 25439 1352 1 2 . 1 1 124 124 VAL N N 124 122.794 122.794 120.827 1.967 25439 1353 1 2 . 1 1 124 124 VAL HA H 124 4.081 4.081 4.090 -0.009 25439 1354 1 2 . 1 1 124 124 VAL CA C 124 60.647 60.647 60.611 0.036 25439 1355 1 2 . 1 1 124 124 VAL CB C 124 32.857 32.857 31.275 1.582 25439 1356 1 2 . 1 1 124 124 VAL H H 124 7.578 7.578 7.271 0.307 25439 1357 1 2 . 1 1 125 125 PRO HA H 125 4.263 4.263 4.540 -0.277 25439 1358 1 2 . 1 1 125 125 PRO CA C 125 63.268 63.268 62.411 0.857 25439 1359 1 2 . 1 1 125 125 PRO CB C 125 32.379 32.379 32.818 -0.439 25439 1360 1 2 . 1 1 126 126 ARG N N 126 128.350 128.350 118.885 9.465 25439 1361 1 2 . 1 1 126 126 ARG HA H 126 3.912 3.912 4.088 -0.176 25439 1362 1 2 . 1 1 126 126 ARG CA C 126 59.653 59.653 59.029 0.624 25439 1363 1 2 . 1 1 126 126 ARG CB C 126 29.339 29.339 29.907 -0.567 25439 1364 1 2 . 1 1 126 126 ARG H H 126 9.534 9.534 8.744 0.790 25439 1365 1 2 . 1 1 127 127 ALA N N 127 119.169 119.169 121.598 -2.429 25439 1366 1 2 . 1 1 127 127 ALA HA H 127 4.192 4.192 4.036 0.156 25439 1367 1 2 . 1 1 127 127 ALA CA C 127 55.227 55.227 55.113 0.114 25439 1368 1 2 . 1 1 127 127 ALA CB C 127 18.363 18.363 18.108 0.255 25439 1369 1 2 . 1 1 127 127 ALA H H 127 9.263 9.263 8.494 0.769 25439 1370 1 2 . 1 1 128 128 GLN N N 128 117.345 117.345 118.245 -0.900 25439 1371 1 2 . 1 1 128 128 GLN HA H 128 4.209 4.209 4.041 0.168 25439 1372 1 2 . 1 1 128 128 GLN CA C 128 58.506 58.506 58.801 -0.295 25439 1373 1 2 . 1 1 128 128 GLN CB C 128 28.220 28.220 28.465 -0.245 25439 1374 1 2 . 1 1 128 128 GLN H H 128 7.448 7.448 8.149 -0.701 25439 1375 1 2 . 1 1 129 129 LEU N N 129 120.561 120.561 120.410 0.151 25439 1376 1 2 . 1 1 129 129 LEU HA H 129 4.088 4.088 4.130 -0.042 25439 1377 1 2 . 1 1 129 129 LEU CA C 129 57.952 57.952 57.598 0.354 25439 1378 1 2 . 1 1 129 129 LEU CB C 129 41.817 41.817 41.984 -0.167 25439 1379 1 2 . 1 1 129 129 LEU H H 129 7.622 7.622 7.551 0.071 25439 1380 1 2 . 1 1 130 130 GLU N N 130 119.122 119.122 118.820 0.302 25439 1381 1 2 . 1 1 130 130 GLU HA H 130 3.956 3.956 3.890 0.066 25439 1382 1 2 . 1 1 130 130 GLU CA C 130 59.353 59.353 59.843 -0.490 25439 1383 1 2 . 1 1 130 130 GLU CB C 130 29.337 29.337 29.329 0.008 25439 1384 1 2 . 1 1 130 130 GLU H H 130 8.656 8.656 8.552 0.104 25439 1385 1 2 . 1 1 131 131 GLU N N 131 121.469 121.469 118.941 2.528 25439 1386 1 2 . 1 1 131 131 GLU HA H 131 4.163 4.163 4.013 0.150 25439 1387 1 2 . 1 1 131 131 GLU CA C 131 59.288 59.288 59.685 -0.397 25439 1388 1 2 . 1 1 131 131 GLU CB C 131 29.422 29.422 29.348 0.075 25439 1389 1 2 . 1 1 131 131 GLU H H 131 7.922 7.922 7.838 0.084 25439 1390 1 2 . 1 1 132 132 GLU N N 132 119.241 119.241 119.519 -0.278 25439 1391 1 2 . 1 1 132 132 GLU HA H 132 3.998 3.998 4.020 -0.022 25439 1392 1 2 . 1 1 132 132 GLU CA C 132 59.327 59.327 59.406 -0.079 25439 1393 1 2 . 1 1 132 132 GLU CB C 132 29.421 29.421 28.992 0.429 25439 1394 1 2 . 1 1 132 132 GLU H H 132 8.099 8.099 7.575 0.524 25439 1395 1 2 . 1 1 133 133 ALA N N 133 121.302 121.302 121.880 -0.578 25439 1396 1 2 . 1 1 133 133 ALA HA H 133 4.053 4.053 4.045 0.008 25439 1397 1 2 . 1 1 133 133 ALA CA C 133 54.973 54.973 55.155 -0.182 25439 1398 1 2 . 1 1 133 133 ALA CB C 133 18.154 18.154 18.282 -0.128 25439 1399 1 2 . 1 1 133 133 ALA H H 133 7.795 7.795 7.607 0.188 25439 1400 1 2 . 1 1 134 134 ARG N N 134 118.757 118.757 117.728 1.029 25439 1401 1 2 . 1 1 134 134 ARG HA H 134 4.143 4.143 4.044 0.099 25439 1402 1 2 . 1 1 134 134 ARG CA C 134 59.438 59.438 58.924 0.514 25439 1403 1 2 . 1 1 134 134 ARG CB C 134 30.148 30.148 30.329 -0.181 25439 1404 1 2 . 1 1 134 134 ARG H H 134 8.145 8.145 7.865 0.280 25439 1405 1 2 . 1 1 135 135 LYS N N 135 119.496 119.496 118.043 1.453 25439 1406 1 2 . 1 1 135 135 LYS HA H 135 4.073 4.073 4.159 -0.086 25439 1407 1 2 . 1 1 135 135 LYS CA C 135 59.327 59.327 58.628 0.699 25439 1408 1 2 . 1 1 135 135 LYS CB C 135 32.539 32.539 32.672 -0.133 25439 1409 1 2 . 1 1 135 135 LYS H H 135 8.036 8.036 7.816 0.220 25439 1410 1 2 . 1 1 136 136 LYS N N 136 116.645 116.645 116.519 0.126 25439 1411 1 2 . 1 1 136 136 LYS HA H 136 4.362 4.362 4.311 0.051 25439 1412 1 2 . 1 1 136 136 LYS CA C 136 56.575 56.575 56.646 -0.071 25439 1413 1 2 . 1 1 136 136 LYS CB C 136 33.629 33.629 33.301 0.328 25439 1414 1 2 . 1 1 136 136 LYS H H 136 7.682 7.682 8.013 -0.331 25439 1415 1 2 . 1 1 137 137 GLY N N 137 109.349 109.349 108.678 0.671 25439 1416 1 2 . 1 1 137 137 GLY CA C 137 46.358 46.358 45.346 1.012 25439 1417 1 2 . 1 1 137 137 GLY H H 137 8.064 8.064 8.227 -0.163 25439 1418 1 2 . 1 1 138 138 THR N N 138 112.870 112.870 113.832 -0.962 25439 1419 1 2 . 1 1 138 138 THR HA H 138 4.735 4.735 4.645 0.090 25439 1420 1 2 . 1 1 138 138 THR CA C 138 59.308 59.308 60.634 -1.326 25439 1421 1 2 . 1 1 138 138 THR CB C 138 70.755 70.755 70.637 0.118 25439 1422 1 2 . 1 1 138 138 THR H H 138 8.111 8.111 8.201 -0.090 25439 1423 1 2 . 1 1 139 139 GLN N N 139 118.177 118.177 119.554 -1.377 25439 1424 1 2 . 1 1 139 139 GLN HA H 139 4.609 4.609 4.584 0.025 25439 1425 1 2 . 1 1 139 139 GLN CA C 139 54.435 54.435 54.819 -0.384 25439 1426 1 2 . 1 1 139 139 GLN CB C 139 30.777 30.777 31.005 -0.228 25439 1427 1 2 . 1 1 139 139 GLN H H 139 8.227 8.227 8.418 -0.191 25439 1428 1 2 . 1 1 140 140 VAL N N 140 123.601 123.601 121.327 2.274 25439 1429 1 2 . 1 1 140 140 VAL HA H 140 3.790 3.790 4.447 -0.657 25439 1430 1 2 . 1 1 140 140 VAL CA C 140 63.934 63.934 61.095 2.839 25439 1431 1 2 . 1 1 140 140 VAL CB C 140 32.154 32.154 33.672 -1.518 25439 1432 1 2 . 1 1 140 140 VAL H H 140 8.839 8.839 8.275 0.564 25439 1433 1 2 . 1 1 141 141 SER HA H 141 4.524 4.524 4.600 -0.076 25439 1434 1 2 . 1 1 141 141 SER CA C 141 57.841 57.841 57.844 -0.003 25439 1435 1 2 . 1 1 141 141 SER CB C 141 64.174 64.174 63.579 0.595 25439 1436 1 2 . 1 1 142 142 PHE N N 142 123.726 123.726 126.014 -2.288 25439 1437 1 2 . 1 1 142 142 PHE HA H 142 4.458 4.458 4.735 -0.277 25439 1438 1 2 . 1 1 142 142 PHE CA C 142 58.673 58.673 57.836 0.838 25439 1439 1 2 . 1 1 142 142 PHE CB C 142 40.055 40.055 41.392 -1.337 25439 1440 1 2 . 1 1 142 142 PHE H H 142 7.534 7.534 8.221 -0.687 25439 1441 1 2 . 1 1 143 143 HIS N N 143 126.548 126.548 118.835 7.713 25439 1442 1 2 . 1 1 143 143 HIS HA H 143 4.336 4.336 4.448 -0.112 25439 1443 1 2 . 1 1 143 143 HIS CA C 143 56.837 56.837 56.004 0.833 25439 1444 1 2 . 1 1 143 143 HIS CB C 143 31.949 31.949 32.356 -0.407 25439 1445 1 2 . 1 1 143 143 HIS H H 143 8.308 8.308 7.176 1.132 25439 1446 1 2 . 1 1 144 144 GLN N N 144 115.094 115.094 116.306 -1.212 25439 1447 1 2 . 1 1 144 144 GLN HA H 144 4.433 4.433 4.462 -0.029 25439 1448 1 2 . 1 1 144 144 GLN CA C 144 54.210 54.210 53.315 0.895 25439 1449 1 2 . 1 1 144 144 GLN CB C 144 32.925 32.925 31.708 1.217 25439 1450 1 2 . 1 1 144 144 GLN H H 144 7.203 7.203 6.938 0.265 25439 1451 1 2 . 1 1 145 145 CYS N N 145 123.088 123.088 117.955 5.133 25439 1452 1 2 . 1 1 145 145 CYS HA H 145 4.961 4.961 5.056 -0.095 25439 1453 1 2 . 1 1 145 145 CYS CA C 145 57.978 57.978 57.086 0.892 25439 1454 1 2 . 1 1 145 145 CYS CB C 145 33.555 33.555 29.766 3.789 25439 1455 1 2 . 1 1 145 145 CYS H H 145 8.668 8.668 8.502 0.166 25439 1456 1 2 . 1 1 146 146 VAL N N 146 113.265 113.265 118.030 -4.765 25439 1457 1 2 . 1 1 146 146 VAL HA H 146 4.238 4.238 4.188 0.050 25439 1458 1 2 . 1 1 146 146 VAL CA C 146 64.001 64.001 65.221 -1.220 25439 1459 1 2 . 1 1 146 146 VAL CB C 146 32.157 32.157 32.079 0.078 25439 1460 1 2 . 1 1 146 146 VAL H H 146 8.198 8.198 8.314 -0.116 25439 1461 1 2 . 1 1 147 147 HIS N N 147 120.556 120.556 119.132 1.424 25439 1462 1 2 . 1 1 147 147 HIS HA H 147 4.604 4.604 4.328 0.276 25439 1463 1 2 . 1 1 147 147 HIS CA C 147 58.708 58.708 58.138 0.570 25439 1464 1 2 . 1 1 147 147 HIS CB C 147 32.204 32.204 29.200 3.004 25439 1465 1 2 . 1 1 147 147 HIS H H 147 7.151 7.151 8.281 -1.130 25439 1466 1 2 . 1 1 148 148 CYS N N 148 112.110 112.110 112.191 -0.081 25439 1467 1 2 . 1 1 148 148 CYS HA H 148 4.889 4.889 4.846 0.043 25439 1468 1 2 . 1 1 148 148 CYS CA C 148 57.952 57.952 55.542 2.410 25439 1469 1 2 . 1 1 148 148 CYS CB C 148 32.956 32.956 30.210 2.746 25439 1470 1 2 . 1 1 148 148 CYS H H 148 7.413 7.413 7.301 0.112 25439 1471 1 2 . 1 1 149 149 GLY N N 149 112.797 112.797 108.252 4.545 25439 1472 1 2 . 1 1 149 149 GLY CA C 149 45.327 45.327 44.380 0.946 25439 1473 1 2 . 1 1 149 149 GLY H H 149 6.949 6.949 8.327 -1.378 25439 1474 1 2 . 1 1 150 150 CYS N N 150 127.277 127.277 120.315 6.962 25439 1475 1 2 . 1 1 150 150 CYS HA H 150 3.932 3.932 4.557 -0.625 25439 1476 1 2 . 1 1 150 150 CYS CA C 150 61.362 61.362 57.365 3.997 25439 1477 1 2 . 1 1 150 150 CYS CB C 150 30.632 30.632 29.629 1.003 25439 1478 1 2 . 1 1 150 150 CYS H H 150 8.240 8.240 7.176 1.064 25439 1479 1 2 . 1 1 151 151 ARG N N 151 125.476 125.476 126.951 -1.475 25439 1480 1 2 . 1 1 151 151 ARG HA H 151 4.775 4.775 4.335 0.440 25439 1481 1 2 . 1 1 151 151 ARG CA C 151 56.164 56.164 55.399 0.765 25439 1482 1 2 . 1 1 151 151 ARG CB C 151 30.354 30.354 29.829 0.525 25439 1483 1 2 . 1 1 151 151 ARG H H 151 8.492 8.492 8.688 -0.196 25439 1484 1 2 . 1 1 152 152 GLY N N 152 117.275 117.275 108.342 8.933 25439 1485 1 2 . 1 1 152 152 GLY CA C 152 45.523 45.523 45.167 0.356 25439 1486 1 2 . 1 1 152 152 GLY H H 152 9.812 9.812 7.881 1.931 25439 1487 1 2 . 1 1 153 153 CYS N N 153 126.187 126.187 118.927 7.260 25439 1488 1 2 . 1 1 153 153 CYS HA H 153 4.842 4.842 4.837 0.005 25439 1489 1 2 . 1 1 153 153 CYS CA C 153 57.130 57.130 55.837 1.293 25439 1490 1 2 . 1 1 153 153 CYS CB C 153 31.368 31.368 27.744 3.624 25439 1491 1 2 . 1 1 153 153 CYS H H 153 8.930 8.930 8.304 0.626 25439 1492 1 2 . 1 1 154 154 ALA N N 154 125.869 125.869 125.467 0.402 25439 1493 1 2 . 1 1 154 154 ALA HA H 154 4.159 4.159 4.831 -0.672 25439 1494 1 2 . 1 1 154 154 ALA CA C 154 53.187 53.187 51.556 1.631 25439 1495 1 2 . 1 1 154 154 ALA CB C 154 18.937 18.937 21.543 -2.606 25439 1496 1 2 . 1 1 154 154 ALA H H 154 8.616 8.616 8.455 0.161 25439 1497 1 2 . 1 1 155 155 SER N N 155 116.724 116.724 117.381 -0.657 25439 1498 1 2 . 1 1 155 155 SER HA H 155 4.283 4.283 4.668 -0.385 25439 1499 1 2 . 1 1 155 155 SER CA C 155 60.136 60.136 58.311 1.825 25439 1500 1 2 . 1 1 155 155 SER CB C 155 63.575 63.575 63.422 0.153 25439 1501 1 2 . 1 1 155 155 SER H H 155 9.358 9.358 8.628 0.730 25439 1502 1 2 . 1 1 156 156 THR N N 156 111.893 111.893 113.163 -1.270 25439 1503 1 2 . 1 1 156 156 THR HA H 156 4.358 4.358 4.389 -0.031 25439 1504 1 2 . 1 1 156 156 THR CA C 156 61.264 61.264 62.516 -1.252 25439 1505 1 2 . 1 1 156 156 THR CB C 156 69.999 69.999 69.802 0.197 25439 1506 1 2 . 1 1 156 156 THR H H 156 7.638 7.638 7.713 -0.075 25439 1507 1 3 . 1 1 0 0 GLY CA C 0 43.750 43.750 45.281 -1.530 25439 1508 1 3 . 1 1 1 1 SER N N 1 117.201 117.201 116.626 0.575 25439 1509 1 3 . 1 1 1 1 SER HA H 1 4.809 4.809 4.944 -0.135 25439 1510 1 3 . 1 1 1 1 SER CA C 1 56.525 56.525 56.989 -0.464 25439 1511 1 3 . 1 1 1 1 SER CB C 1 63.385 63.385 64.390 -1.005 25439 1512 1 3 . 1 1 1 1 SER H H 1 8.381 8.381 8.437 -0.056 25439 1513 1 3 . 1 1 2 2 PRO HA H 2 4.468 4.468 4.775 -0.307 25439 1514 1 3 . 1 1 2 2 PRO CA C 2 63.292 63.292 62.736 0.556 25439 1515 1 3 . 1 1 2 2 PRO CB C 2 32.174 32.174 32.711 -0.537 25439 1516 1 3 . 1 1 3 3 ARG N N 3 121.649 121.649 119.435 2.214 25439 1517 1 3 . 1 1 3 3 ARG HA H 3 4.324 4.324 4.716 -0.392 25439 1518 1 3 . 1 1 3 3 ARG CA C 3 56.226 56.226 55.355 0.871 25439 1519 1 3 . 1 1 3 3 ARG CB C 3 30.732 30.732 32.446 -1.714 25439 1520 1 3 . 1 1 3 3 ARG H H 3 8.428 8.428 8.334 0.094 25439 1521 1 3 . 1 1 4 4 ILE N N 4 122.500 122.500 123.458 -0.958 25439 1522 1 3 . 1 1 4 4 ILE HA H 4 4.181 4.181 4.400 -0.219 25439 1523 1 3 . 1 1 4 4 ILE CA C 4 60.943 60.943 61.275 -0.332 25439 1524 1 3 . 1 1 4 4 ILE CB C 4 38.751 38.751 38.000 0.751 25439 1525 1 3 . 1 1 4 4 ILE H H 4 8.165 8.165 8.501 -0.336 25439 1526 1 3 . 1 1 5 5 LYS N N 5 126.237 126.237 126.410 -0.173 25439 1527 1 3 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.749 -0.347 25439 1528 1 3 . 1 1 5 5 LYS CA C 5 56.422 56.422 55.376 1.046 25439 1529 1 3 . 1 1 5 5 LYS CB C 5 33.130 33.130 34.703 -1.573 25439 1530 1 3 . 1 1 5 5 LYS H H 5 8.500 8.500 8.469 0.031 25439 1531 1 3 . 1 1 6 6 THR N N 6 116.495 116.495 115.233 1.262 25439 1532 1 3 . 1 1 6 6 THR HA H 6 4.323 4.323 4.536 -0.213 25439 1533 1 3 . 1 1 6 6 THR CA C 6 61.918 61.918 61.680 0.238 25439 1534 1 3 . 1 1 6 6 THR CB C 6 69.963 69.963 68.828 1.135 25439 1535 1 3 . 1 1 6 6 THR H H 6 8.194 8.194 8.311 -0.117 25439 1536 1 3 . 1 1 7 7 ARG N N 7 124.128 124.128 126.055 -1.927 25439 1537 1 3 . 1 1 7 7 ARG HA H 7 4.396 4.396 4.537 -0.141 25439 1538 1 3 . 1 1 7 7 ARG CA C 7 56.128 56.128 56.270 -0.142 25439 1539 1 3 . 1 1 7 7 ARG CB C 7 30.953 30.953 31.133 -0.180 25439 1540 1 3 . 1 1 7 7 ARG H H 7 8.458 8.458 8.522 -0.064 25439 1541 1 3 . 1 1 8 8 ARG N N 8 123.384 123.384 122.727 0.657 25439 1542 1 3 . 1 1 8 8 ARG HA H 8 4.424 4.424 4.585 -0.161 25439 1543 1 3 . 1 1 8 8 ARG CA C 8 56.011 56.011 55.860 0.151 25439 1544 1 3 . 1 1 8 8 ARG CB C 8 31.058 31.058 31.943 -0.885 25439 1545 1 3 . 1 1 8 8 ARG H H 8 8.526 8.526 8.312 0.214 25439 1546 1 3 . 1 1 9 9 SER N N 9 118.446 118.446 117.215 1.231 25439 1547 1 3 . 1 1 9 9 SER HA H 9 4.473 4.473 4.672 -0.199 25439 1548 1 3 . 1 1 9 9 SER CA C 9 58.568 58.568 57.852 0.716 25439 1549 1 3 . 1 1 9 9 SER CB C 9 63.986 63.986 64.627 -0.641 25439 1550 1 3 . 1 1 9 9 SER H H 9 8.450 8.450 8.430 0.020 25439 1551 1 3 . 1 1 10 10 LYS N N 10 124.117 124.117 122.471 1.646 25439 1552 1 3 . 1 1 10 10 LYS HA H 10 4.673 4.673 4.818 -0.145 25439 1553 1 3 . 1 1 10 10 LYS CA C 10 54.412 54.412 53.923 0.489 25439 1554 1 3 . 1 1 10 10 LYS CB C 10 32.693 32.693 34.525 -1.832 25439 1555 1 3 . 1 1 10 10 LYS H H 10 8.426 8.426 8.482 -0.056 25439 1556 1 3 . 1 1 11 11 PRO HA H 11 4.360 4.360 4.507 -0.147 25439 1557 1 3 . 1 1 11 11 PRO CA C 11 62.861 62.861 62.642 0.219 25439 1558 1 3 . 1 1 11 11 PRO CB C 11 32.106 32.106 32.396 -0.290 25439 1559 1 3 . 1 1 12 12 ALA N N 12 124.420 124.420 122.763 1.657 25439 1560 1 3 . 1 1 12 12 ALA HA H 12 2.889 2.889 3.149 -0.260 25439 1561 1 3 . 1 1 12 12 ALA CA C 12 49.735 49.735 49.271 0.464 25439 1562 1 3 . 1 1 12 12 ALA CB C 12 18.066 18.066 16.830 1.236 25439 1563 1 3 . 1 1 12 12 ALA H H 12 7.890 7.890 7.701 0.189 25439 1564 1 3 . 1 1 13 13 PRO HA H 13 4.207 4.207 4.434 -0.227 25439 1565 1 3 . 1 1 13 13 PRO CA C 13 62.111 62.111 61.687 0.424 25439 1566 1 3 . 1 1 13 13 PRO CB C 13 32.582 32.582 32.462 0.120 25439 1567 1 3 . 1 1 14 14 ASP N N 14 119.535 119.535 120.723 -1.188 25439 1568 1 3 . 1 1 14 14 ASP HA H 14 4.379 4.379 4.280 0.099 25439 1569 1 3 . 1 1 14 14 ASP CA C 14 56.427 56.427 56.671 -0.244 25439 1570 1 3 . 1 1 14 14 ASP CB C 14 41.177 41.177 40.600 0.577 25439 1571 1 3 . 1 1 14 14 ASP H H 14 8.206 8.206 8.743 -0.537 25439 1572 1 3 . 1 1 15 15 GLY N N 15 113.273 113.273 107.854 5.419 25439 1573 1 3 . 1 1 15 15 GLY CA C 15 45.146 45.146 46.933 -1.787 25439 1574 1 3 . 1 1 15 15 GLY H H 15 8.723 8.723 8.243 0.480 25439 1575 1 3 . 1 1 16 16 PHE N N 16 123.113 123.113 122.539 0.574 25439 1576 1 3 . 1 1 16 16 PHE HA H 16 4.125 4.125 4.248 -0.123 25439 1577 1 3 . 1 1 16 16 PHE CA C 16 60.715 60.715 59.596 1.119 25439 1578 1 3 . 1 1 16 16 PHE CB C 16 39.639 39.639 39.075 0.564 25439 1579 1 3 . 1 1 16 16 PHE H H 16 8.127 8.127 8.265 -0.138 25439 1580 1 3 . 1 1 17 17 GLU N N 17 115.695 115.695 119.370 -3.675 25439 1581 1 3 . 1 1 17 17 GLU HA H 17 3.768 3.768 3.821 -0.053 25439 1582 1 3 . 1 1 17 17 GLU CA C 17 59.234 59.234 59.369 -0.135 25439 1583 1 3 . 1 1 17 17 GLU CB C 17 28.495 28.495 29.325 -0.830 25439 1584 1 3 . 1 1 17 17 GLU H H 17 9.088 9.088 8.219 0.869 25439 1585 1 3 . 1 1 18 18 LYS N N 18 115.887 115.887 117.324 -1.437 25439 1586 1 3 . 1 1 18 18 LYS HA H 18 4.165 4.165 4.070 0.095 25439 1587 1 3 . 1 1 18 18 LYS CA C 18 58.249 58.249 58.705 -0.456 25439 1588 1 3 . 1 1 18 18 LYS CB C 18 32.725 32.725 32.823 -0.098 25439 1589 1 3 . 1 1 18 18 LYS H H 18 7.285 7.285 7.775 -0.490 25439 1590 1 3 . 1 1 19 19 ILE N N 19 110.277 110.277 111.219 -0.942 25439 1591 1 3 . 1 1 19 19 ILE HA H 19 4.722 4.722 4.673 0.049 25439 1592 1 3 . 1 1 19 19 ILE CA C 19 61.093 61.093 60.014 1.079 25439 1593 1 3 . 1 1 19 19 ILE CB C 19 39.139 39.139 38.117 1.022 25439 1594 1 3 . 1 1 19 19 ILE H H 19 7.031 7.031 7.479 -0.448 25439 1595 1 3 . 1 1 20 20 LYS N N 20 124.540 124.540 122.960 1.580 25439 1596 1 3 . 1 1 20 20 LYS HA H 20 3.603 3.603 3.747 -0.144 25439 1597 1 3 . 1 1 20 20 LYS CA C 20 60.917 60.917 59.449 1.468 25439 1598 1 3 . 1 1 20 20 LYS CB C 20 30.210 30.210 30.780 -0.571 25439 1599 1 3 . 1 1 20 20 LYS H H 20 7.666 7.666 7.519 0.147 25439 1600 1 3 . 1 1 21 21 PRO HA H 21 4.292 4.292 4.522 -0.230 25439 1601 1 3 . 1 1 21 21 PRO CA C 21 66.990 66.990 64.989 2.001 25439 1602 1 3 . 1 1 21 21 PRO CB C 21 30.779 30.779 31.878 -1.099 25439 1603 1 3 . 1 1 22 22 THR N N 22 114.917 114.917 115.397 -0.480 25439 1604 1 3 . 1 1 22 22 THR HA H 22 3.866 3.866 4.068 -0.202 25439 1605 1 3 . 1 1 22 22 THR CA C 22 66.575 66.575 66.549 0.026 25439 1606 1 3 . 1 1 22 22 THR CB C 22 68.731 68.731 68.536 0.195 25439 1607 1 3 . 1 1 22 22 THR H H 22 7.331 7.331 8.317 -0.986 25439 1608 1 3 . 1 1 23 23 LEU N N 23 120.152 120.152 120.427 -0.275 25439 1609 1 3 . 1 1 23 23 LEU HA H 23 4.397 4.397 3.962 0.435 25439 1610 1 3 . 1 1 23 23 LEU CA C 23 58.740 58.740 57.761 0.979 25439 1611 1 3 . 1 1 23 23 LEU CB C 23 40.489 40.489 41.983 -1.494 25439 1612 1 3 . 1 1 23 23 LEU H H 23 7.991 7.991 7.608 0.383 25439 1613 1 3 . 1 1 24 24 THR N N 24 119.365 119.365 114.629 4.736 25439 1614 1 3 . 1 1 24 24 THR HA H 24 4.095 4.095 3.948 0.147 25439 1615 1 3 . 1 1 24 24 THR CA C 24 66.834 66.834 66.792 0.042 25439 1616 1 3 . 1 1 24 24 THR CB C 24 68.614 68.614 68.522 0.092 25439 1617 1 3 . 1 1 24 24 THR H H 24 9.175 9.175 7.496 1.679 25439 1618 1 3 . 1 1 25 25 ASP N N 25 122.865 122.865 121.797 1.068 25439 1619 1 3 . 1 1 25 25 ASP HA H 25 4.483 4.483 4.375 0.108 25439 1620 1 3 . 1 1 25 25 ASP CA C 25 58.158 58.158 57.182 0.976 25439 1621 1 3 . 1 1 25 25 ASP CB C 25 40.329 40.329 40.737 -0.408 25439 1622 1 3 . 1 1 25 25 ASP H H 25 7.714 7.714 7.836 -0.122 25439 1623 1 3 . 1 1 26 26 PHE N N 26 116.182 116.182 118.893 -2.711 25439 1624 1 3 . 1 1 26 26 PHE HA H 26 4.457 4.457 4.194 0.263 25439 1625 1 3 . 1 1 26 26 PHE CA C 26 62.531 62.531 61.672 0.859 25439 1626 1 3 . 1 1 26 26 PHE CB C 26 39.468 39.468 38.948 0.520 25439 1627 1 3 . 1 1 26 26 PHE H H 26 7.816 7.816 7.833 -0.017 25439 1628 1 3 . 1 1 27 27 GLU N N 27 120.107 120.107 118.458 1.649 25439 1629 1 3 . 1 1 27 27 GLU HA H 27 4.113 4.113 4.094 0.019 25439 1630 1 3 . 1 1 27 27 GLU CA C 27 59.852 59.852 59.362 0.490 25439 1631 1 3 . 1 1 27 27 GLU CB C 27 29.692 29.692 29.180 0.512 25439 1632 1 3 . 1 1 27 27 GLU H H 27 8.068 8.068 7.932 0.136 25439 1633 1 3 . 1 1 28 28 ILE N N 28 121.494 121.494 119.401 2.093 25439 1634 1 3 . 1 1 28 28 ILE HA H 28 3.718 3.718 3.882 -0.164 25439 1635 1 3 . 1 1 28 28 ILE CA C 28 65.002 65.002 64.323 0.679 25439 1636 1 3 . 1 1 28 28 ILE CB C 28 38.023 38.023 38.199 -0.176 25439 1637 1 3 . 1 1 28 28 ILE H H 28 8.531 8.531 7.726 0.805 25439 1638 1 3 . 1 1 29 29 GLN N N 29 118.941 118.941 120.234 -1.293 25439 1639 1 3 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.107 0.073 25439 1640 1 3 . 1 1 29 29 GLN CA C 29 59.507 59.507 58.926 0.581 25439 1641 1 3 . 1 1 29 29 GLN CB C 29 29.783 29.783 28.704 1.079 25439 1642 1 3 . 1 1 29 29 GLN H H 29 8.117 8.117 7.607 0.510 25439 1643 1 3 . 1 1 30 30 LEU N N 30 121.724 121.724 120.228 1.496 25439 1644 1 3 . 1 1 30 30 LEU HA H 30 4.032 4.032 4.164 -0.132 25439 1645 1 3 . 1 1 30 30 LEU CA C 30 58.333 58.333 57.718 0.615 25439 1646 1 3 . 1 1 30 30 LEU CB C 30 42.339 42.339 42.158 0.181 25439 1647 1 3 . 1 1 30 30 LEU H H 30 8.677 8.677 8.501 0.176 25439 1648 1 3 . 1 1 31 31 ARG N N 31 120.629 120.629 118.930 1.699 25439 1649 1 3 . 1 1 31 31 ARG HA H 31 4.105 4.105 4.010 0.095 25439 1650 1 3 . 1 1 31 31 ARG CA C 31 59.340 59.340 59.321 0.019 25439 1651 1 3 . 1 1 31 31 ARG CB C 31 30.044 30.044 29.392 0.652 25439 1652 1 3 . 1 1 31 31 ARG H H 31 8.227 8.227 7.959 0.268 25439 1653 1 3 . 1 1 32 32 ASP N N 32 120.233 120.233 120.731 -0.498 25439 1654 1 3 . 1 1 32 32 ASP HA H 32 4.484 4.484 4.437 0.047 25439 1655 1 3 . 1 1 32 32 ASP CA C 32 57.199 57.199 57.348 -0.149 25439 1656 1 3 . 1 1 32 32 ASP CB C 32 40.202 40.202 40.670 -0.468 25439 1657 1 3 . 1 1 32 32 ASP H H 32 8.407 8.407 7.674 0.733 25439 1658 1 3 . 1 1 33 33 ALA N N 33 121.939 121.939 122.687 -0.748 25439 1659 1 3 . 1 1 33 33 ALA HA H 33 4.321 4.321 3.878 0.443 25439 1660 1 3 . 1 1 33 33 ALA CA C 33 54.207 54.207 55.132 -0.925 25439 1661 1 3 . 1 1 33 33 ALA CB C 33 18.738 18.738 18.359 0.379 25439 1662 1 3 . 1 1 33 33 ALA H H 33 8.057 8.057 7.456 0.601 25439 1663 1 3 . 1 1 34 34 GLN N N 34 114.736 114.736 117.688 -2.952 25439 1664 1 3 . 1 1 34 34 GLN HA H 34 4.248 4.248 4.016 0.232 25439 1665 1 3 . 1 1 34 34 GLN CA C 34 56.567 56.567 58.895 -2.329 25439 1666 1 3 . 1 1 34 34 GLN CB C 34 29.743 29.743 28.555 1.188 25439 1667 1 3 . 1 1 34 34 GLN H H 34 7.746 7.746 7.986 -0.240 25439 1668 1 3 . 1 1 35 35 LYS N N 35 120.534 120.534 119.037 1.497 25439 1669 1 3 . 1 1 35 35 LYS HA H 35 4.232 4.232 4.025 0.207 25439 1670 1 3 . 1 1 35 35 LYS CA C 35 57.427 57.427 58.968 -1.541 25439 1671 1 3 . 1 1 35 35 LYS CB C 35 32.887 32.887 31.847 1.040 25439 1672 1 3 . 1 1 35 35 LYS H H 35 7.570 7.570 7.941 -0.371 25439 1673 1 3 . 1 1 36 36 ASP N N 36 120.943 120.943 119.236 1.707 25439 1674 1 3 . 1 1 36 36 ASP HA H 36 4.595 4.595 4.355 0.240 25439 1675 1 3 . 1 1 36 36 ASP CA C 36 54.983 54.983 57.673 -2.690 25439 1676 1 3 . 1 1 36 36 ASP CB C 36 41.129 41.129 40.794 0.335 25439 1677 1 3 . 1 1 36 36 ASP H H 36 8.375 8.375 7.737 0.638 25439 1678 1 3 . 1 1 37 37 LYS N N 37 122.598 122.598 116.002 6.596 25439 1679 1 3 . 1 1 37 37 LYS HA H 37 4.365 4.365 4.071 0.294 25439 1680 1 3 . 1 1 37 37 LYS CA C 37 56.725 56.725 58.255 -1.530 25439 1681 1 3 . 1 1 37 37 LYS CB C 37 32.823 32.823 32.053 0.770 25439 1682 1 3 . 1 1 37 37 LYS H H 37 8.446 8.446 7.765 0.681 25439 1683 1 3 . 1 1 38 38 SER N N 38 115.849 115.849 112.258 3.591 25439 1684 1 3 . 1 1 38 38 SER HA H 38 4.423 4.423 4.526 -0.103 25439 1685 1 3 . 1 1 38 38 SER CA C 38 59.193 59.193 59.585 -0.392 25439 1686 1 3 . 1 1 38 38 SER CB C 38 63.744 63.744 64.172 -0.428 25439 1687 1 3 . 1 1 38 38 SER H H 38 8.392 8.392 7.633 0.759 25439 1688 1 3 . 1 1 39 39 SER N N 39 117.258 117.258 115.924 1.334 25439 1689 1 3 . 1 1 39 39 SER HA H 39 4.445 4.445 4.500 -0.055 25439 1690 1 3 . 1 1 39 39 SER CA C 39 58.933 58.933 59.561 -0.628 25439 1691 1 3 . 1 1 39 39 SER CB C 39 63.711 63.711 64.177 -0.466 25439 1692 1 3 . 1 1 39 39 SER H H 39 8.283 8.283 8.389 -0.106 25439 1693 1 3 . 1 1 40 40 LYS N N 40 122.427 122.427 122.099 0.328 25439 1694 1 3 . 1 1 40 40 LYS HA H 40 4.321 4.321 4.395 -0.074 25439 1695 1 3 . 1 1 40 40 LYS CA C 40 56.847 56.847 55.349 1.498 25439 1696 1 3 . 1 1 40 40 LYS CB C 40 32.764 32.764 32.951 -0.187 25439 1697 1 3 . 1 1 40 40 LYS H H 40 8.263 8.263 7.791 0.472 25439 1698 1 3 . 1 1 41 41 LEU N N 41 121.281 121.281 125.572 -4.291 25439 1699 1 3 . 1 1 41 41 LEU HA H 41 4.308 4.308 4.721 -0.413 25439 1700 1 3 . 1 1 41 41 LEU CA C 41 55.335 55.335 54.346 0.989 25439 1701 1 3 . 1 1 41 41 LEU CB C 41 42.212 42.212 42.309 -0.097 25439 1702 1 3 . 1 1 41 41 LEU H H 41 8.068 8.068 8.564 -0.496 25439 1703 1 3 . 1 1 42 42 ALA N N 42 123.964 123.964 123.889 0.075 25439 1704 1 3 . 1 1 42 42 ALA HA H 42 4.274 4.274 4.543 -0.269 25439 1705 1 3 . 1 1 42 42 ALA CA C 42 52.851 52.851 52.523 0.328 25439 1706 1 3 . 1 1 42 42 ALA CB C 42 19.135 19.135 19.976 -0.841 25439 1707 1 3 . 1 1 42 42 ALA H H 42 8.111 8.111 8.490 -0.379 25439 1708 1 3 . 1 1 43 43 ALA N N 43 122.146 122.146 121.911 0.235 25439 1709 1 3 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.582 -0.285 25439 1710 1 3 . 1 1 43 43 ALA CA C 43 52.727 52.727 51.489 1.238 25439 1711 1 3 . 1 1 43 43 ALA CB C 43 19.318 19.318 20.055 -0.737 25439 1712 1 3 . 1 1 43 43 ALA H H 43 8.101 8.101 7.718 0.383 25439 1713 1 3 . 1 1 44 44 LYS N N 44 119.454 119.454 121.200 -1.746 25439 1714 1 3 . 1 1 44 44 LYS HA H 44 4.349 4.349 3.907 0.442 25439 1715 1 3 . 1 1 44 44 LYS CA C 44 56.267 56.267 57.157 -0.890 25439 1716 1 3 . 1 1 44 44 LYS CB C 44 32.825 32.825 30.820 2.005 25439 1717 1 3 . 1 1 44 44 LYS H H 44 8.198 8.198 8.706 -0.508 25439 1718 1 3 . 1 1 45 45 SER N N 45 116.660 116.660 112.638 4.022 25439 1719 1 3 . 1 1 45 45 SER HA H 45 4.368 4.368 4.393 -0.025 25439 1720 1 3 . 1 1 45 45 SER CA C 45 58.477 58.477 58.671 -0.194 25439 1721 1 3 . 1 1 45 45 SER CB C 45 64.063 64.063 64.468 -0.405 25439 1722 1 3 . 1 1 45 45 SER H H 45 8.251 8.251 8.448 -0.197 25439 1723 1 3 . 1 1 46 46 ASN N N 46 120.516 120.516 120.544 -0.028 25439 1724 1 3 . 1 1 46 46 ASN HA H 46 4.361 4.361 4.295 0.066 25439 1725 1 3 . 1 1 46 46 ASN CA C 46 54.657 54.657 56.262 -1.605 25439 1726 1 3 . 1 1 46 46 ASN CB C 46 37.649 37.649 37.946 -0.297 25439 1727 1 3 . 1 1 46 46 ASN H H 46 8.498 8.498 8.579 -0.081 25439 1728 1 3 . 1 1 47 47 GLU N N 47 117.964 117.964 117.978 -0.014 25439 1729 1 3 . 1 1 47 47 GLU HA H 47 3.350 3.350 2.923 0.427 25439 1730 1 3 . 1 1 47 47 GLU CA C 47 59.213 59.213 58.839 0.374 25439 1731 1 3 . 1 1 47 47 GLU CB C 47 28.998 28.998 28.886 0.112 25439 1732 1 3 . 1 1 47 47 GLU H H 47 8.016 8.016 8.231 -0.215 25439 1733 1 3 . 1 1 48 48 GLN N N 48 119.468 119.468 119.203 0.265 25439 1734 1 3 . 1 1 48 48 GLN HA H 48 4.250 4.250 4.044 0.206 25439 1735 1 3 . 1 1 48 48 GLN CA C 48 58.529 58.529 58.409 0.120 25439 1736 1 3 . 1 1 48 48 GLN CB C 48 28.902 28.902 27.861 1.041 25439 1737 1 3 . 1 1 48 48 GLN H H 48 7.892 7.892 7.246 0.646 25439 1738 1 3 . 1 1 49 49 LEU N N 49 120.145 120.145 119.578 0.567 25439 1739 1 3 . 1 1 49 49 LEU HA H 49 4.232 4.232 4.107 0.124 25439 1740 1 3 . 1 1 49 49 LEU CA C 49 57.479 57.479 58.666 -1.187 25439 1741 1 3 . 1 1 49 49 LEU CB C 49 41.391 41.391 40.982 0.409 25439 1742 1 3 . 1 1 49 49 LEU H H 49 7.699 7.699 7.446 0.253 25439 1743 1 3 . 1 1 50 50 TRP N N 50 119.596 119.596 116.728 2.868 25439 1744 1 3 . 1 1 50 50 TRP HA H 50 4.520 4.520 4.422 0.098 25439 1745 1 3 . 1 1 50 50 TRP CA C 50 58.353 58.353 58.285 0.069 25439 1746 1 3 . 1 1 50 50 TRP CB C 50 28.880 28.880 27.830 1.050 25439 1747 1 3 . 1 1 50 50 TRP H H 50 8.385 8.385 7.303 1.082 25439 1748 1 3 . 1 1 51 51 GLU N N 51 119.362 119.362 118.619 0.743 25439 1749 1 3 . 1 1 51 51 GLU HA H 51 4.145 4.145 4.157 -0.012 25439 1750 1 3 . 1 1 51 51 GLU CA C 51 60.035 60.035 59.618 0.417 25439 1751 1 3 . 1 1 51 51 GLU CB C 51 29.675 29.675 29.212 0.463 25439 1752 1 3 . 1 1 51 51 GLU H H 51 8.223 8.223 7.825 0.398 25439 1753 1 3 . 1 1 52 52 ILE N N 52 119.018 119.018 119.621 -0.603 25439 1754 1 3 . 1 1 52 52 ILE HA H 52 3.673 3.673 3.760 -0.087 25439 1755 1 3 . 1 1 52 52 ILE CA C 52 65.511 65.511 65.259 0.252 25439 1756 1 3 . 1 1 52 52 ILE CB C 52 38.532 38.532 37.993 0.539 25439 1757 1 3 . 1 1 52 52 ILE H H 52 7.801 7.801 7.310 0.491 25439 1758 1 3 . 1 1 53 53 MET N N 53 118.133 118.133 117.719 0.414 25439 1759 1 3 . 1 1 53 53 MET HA H 53 4.452 4.452 4.082 0.370 25439 1760 1 3 . 1 1 53 53 MET CA C 53 58.216 58.216 58.266 -0.050 25439 1761 1 3 . 1 1 53 53 MET CB C 53 31.838 31.838 31.619 0.218 25439 1762 1 3 . 1 1 53 53 MET H H 53 8.411 8.411 7.939 0.472 25439 1763 1 3 . 1 1 54 54 GLN N N 54 120.855 120.855 119.062 1.793 25439 1764 1 3 . 1 1 54 54 GLN HA H 54 4.333 4.333 3.969 0.364 25439 1765 1 3 . 1 1 54 54 GLN CA C 54 59.004 59.004 59.361 -0.357 25439 1766 1 3 . 1 1 54 54 GLN CB C 54 27.824 27.824 28.779 -0.955 25439 1767 1 3 . 1 1 54 54 GLN H H 54 8.860 8.860 8.284 0.576 25439 1768 1 3 . 1 1 55 55 LEU N N 55 122.788 122.788 119.062 3.726 25439 1769 1 3 . 1 1 55 55 LEU HA H 55 4.302 4.302 4.194 0.108 25439 1770 1 3 . 1 1 55 55 LEU CA C 55 58.685 58.685 57.943 0.742 25439 1771 1 3 . 1 1 55 55 LEU CB C 55 42.695 42.695 41.795 0.900 25439 1772 1 3 . 1 1 55 55 LEU H H 55 8.298 8.298 7.885 0.413 25439 1773 1 3 . 1 1 56 56 HIS N N 56 118.426 118.426 118.143 0.283 25439 1774 1 3 . 1 1 56 56 HIS HA H 56 4.317 4.317 4.236 0.081 25439 1775 1 3 . 1 1 56 56 HIS CA C 56 60.732 60.732 60.053 0.678 25439 1776 1 3 . 1 1 56 56 HIS CB C 56 30.530 30.530 29.495 1.035 25439 1777 1 3 . 1 1 56 56 HIS H H 56 8.416 8.416 7.953 0.463 25439 1778 1 3 . 1 1 57 57 HIS N N 57 121.197 121.197 119.760 1.437 25439 1779 1 3 . 1 1 57 57 HIS HA H 57 4.318 4.318 4.524 -0.206 25439 1780 1 3 . 1 1 57 57 HIS CA C 57 60.739 60.739 58.673 2.066 25439 1781 1 3 . 1 1 57 57 HIS CB C 57 28.726 28.726 30.139 -1.413 25439 1782 1 3 . 1 1 57 57 HIS H H 57 8.608 8.608 8.107 0.501 25439 1783 1 3 . 1 1 58 58 GLN N N 58 118.739 118.739 118.822 -0.083 25439 1784 1 3 . 1 1 58 58 GLN HA H 58 4.202 4.202 4.199 0.003 25439 1785 1 3 . 1 1 58 58 GLN CA C 58 59.507 59.507 59.445 0.062 25439 1786 1 3 . 1 1 58 58 GLN CB C 58 29.111 29.111 28.643 0.468 25439 1787 1 3 . 1 1 58 58 GLN H H 58 9.206 9.206 8.213 0.993 25439 1788 1 3 . 1 1 59 59 ARG N N 59 122.498 122.498 120.562 1.936 25439 1789 1 3 . 1 1 59 59 ARG HA H 59 3.437 3.437 3.715 -0.278 25439 1790 1 3 . 1 1 59 59 ARG CA C 59 60.361 60.361 59.350 1.011 25439 1791 1 3 . 1 1 59 59 ARG H H 59 8.623 8.623 8.648 -0.025 25439 1792 1 3 . 1 1 60 60 SER N N 60 114.930 114.930 115.286 -0.356 25439 1793 1 3 . 1 1 60 60 SER HA H 60 4.515 4.515 4.225 0.290 25439 1794 1 3 . 1 1 60 60 SER CA C 60 64.832 64.832 61.593 3.239 25439 1795 1 3 . 1 1 60 60 SER CB C 60 63.583 63.583 63.052 0.531 25439 1796 1 3 . 1 1 60 60 SER H H 60 7.993 7.993 8.583 -0.590 25439 1797 1 3 . 1 1 61 61 ARG N N 61 124.417 124.417 122.730 1.687 25439 1798 1 3 . 1 1 61 61 ARG HA H 61 4.204 4.204 4.175 0.029 25439 1799 1 3 . 1 1 61 61 ARG CA C 61 58.852 58.852 59.668 -0.816 25439 1800 1 3 . 1 1 61 61 ARG CB C 61 29.077 29.077 30.274 -1.198 25439 1801 1 3 . 1 1 61 61 ARG H H 61 9.569 9.569 8.824 0.745 25439 1802 1 3 . 1 1 62 62 TYR N N 62 124.484 124.484 120.927 3.557 25439 1803 1 3 . 1 1 62 62 TYR HA H 62 4.676 4.676 4.272 0.404 25439 1804 1 3 . 1 1 62 62 TYR CA C 62 61.006 61.006 62.031 -1.025 25439 1805 1 3 . 1 1 62 62 TYR CB C 62 38.392 38.392 38.659 -0.267 25439 1806 1 3 . 1 1 62 62 TYR H H 62 8.622 8.622 8.455 0.167 25439 1807 1 3 . 1 1 63 63 ILE N N 63 119.789 119.789 119.076 0.713 25439 1808 1 3 . 1 1 63 63 ILE HA H 63 3.492 3.492 3.797 -0.305 25439 1809 1 3 . 1 1 63 63 ILE CA C 63 65.693 65.693 65.517 0.175 25439 1810 1 3 . 1 1 63 63 ILE CB C 63 38.023 38.023 38.352 -0.329 25439 1811 1 3 . 1 1 63 63 ILE H H 63 7.588 7.588 8.073 -0.485 25439 1812 1 3 . 1 1 64 64 TYR N N 64 120.485 120.485 120.567 -0.082 25439 1813 1 3 . 1 1 64 64 TYR HA H 64 4.577 4.577 4.412 0.165 25439 1814 1 3 . 1 1 64 64 TYR CA C 64 61.759 61.759 61.564 0.195 25439 1815 1 3 . 1 1 64 64 TYR CB C 64 39.772 39.772 38.431 1.341 25439 1816 1 3 . 1 1 64 64 TYR H H 64 9.166 9.166 9.264 -0.098 25439 1817 1 3 . 1 1 65 65 THR N N 65 117.072 117.072 116.229 0.843 25439 1818 1 3 . 1 1 65 65 THR HA H 65 3.562 3.562 4.086 -0.524 25439 1819 1 3 . 1 1 65 65 THR CA C 65 67.016 67.016 66.339 0.677 25439 1820 1 3 . 1 1 65 65 THR CB C 65 68.711 68.711 69.182 -0.471 25439 1821 1 3 . 1 1 65 65 THR H H 65 8.987 8.987 8.300 0.687 25439 1822 1 3 . 1 1 66 66 LEU N N 66 122.107 122.107 121.898 0.209 25439 1823 1 3 . 1 1 66 66 LEU HA H 66 3.782 3.782 4.259 -0.477 25439 1824 1 3 . 1 1 66 66 LEU CA C 66 58.476 58.476 58.200 0.276 25439 1825 1 3 . 1 1 66 66 LEU CB C 66 43.183 43.183 40.885 2.298 25439 1826 1 3 . 1 1 66 66 LEU H H 66 8.286 8.286 7.635 0.651 25439 1827 1 3 . 1 1 67 67 TYR N N 67 115.264 115.264 119.008 -3.744 25439 1828 1 3 . 1 1 67 67 TYR HA H 67 4.344 4.344 4.091 0.253 25439 1829 1 3 . 1 1 67 67 TYR CA C 67 60.830 60.830 61.626 -0.796 25439 1830 1 3 . 1 1 67 67 TYR CB C 67 40.376 40.376 39.455 0.921 25439 1831 1 3 . 1 1 67 67 TYR H H 67 7.983 7.983 8.402 -0.419 25439 1832 1 3 . 1 1 68 68 TYR N N 68 113.945 113.945 116.305 -2.360 25439 1833 1 3 . 1 1 68 68 TYR HA H 68 3.699 3.699 4.246 -0.547 25439 1834 1 3 . 1 1 68 68 TYR CA C 68 62.030 62.030 60.356 1.674 25439 1835 1 3 . 1 1 68 68 TYR CB C 68 38.046 38.046 38.621 -0.575 25439 1836 1 3 . 1 1 68 68 TYR H H 68 8.297 8.297 7.607 0.690 25439 1837 1 3 . 1 1 69 69 LYS N N 69 114.346 114.346 118.569 -4.223 25439 1838 1 3 . 1 1 69 69 LYS HA H 69 4.564 4.564 4.306 0.258 25439 1839 1 3 . 1 1 69 69 LYS CA C 69 56.821 56.821 56.910 -0.089 25439 1840 1 3 . 1 1 69 69 LYS CB C 69 31.980 31.980 33.189 -1.209 25439 1841 1 3 . 1 1 69 69 LYS H H 69 7.084 7.084 7.486 -0.402 25439 1842 1 3 . 1 1 70 70 ARG N N 70 114.676 114.676 119.532 -4.856 25439 1843 1 3 . 1 1 70 70 ARG HA H 70 4.251 4.251 4.138 0.113 25439 1844 1 3 . 1 1 70 70 ARG CA C 70 56.314 56.314 56.917 -0.603 25439 1845 1 3 . 1 1 70 70 ARG CB C 70 31.128 31.128 30.624 0.504 25439 1846 1 3 . 1 1 70 70 ARG H H 70 8.178 8.178 8.305 -0.127 25439 1847 1 3 . 1 1 71 71 LYS N N 71 115.371 115.371 115.853 -0.482 25439 1848 1 3 . 1 1 71 71 LYS HA H 71 4.036 4.036 3.803 0.233 25439 1849 1 3 . 1 1 71 71 LYS CA C 71 57.121 57.121 56.911 0.210 25439 1850 1 3 . 1 1 71 71 LYS CB C 71 28.897 28.897 29.784 -0.887 25439 1851 1 3 . 1 1 71 71 LYS H H 71 6.843 6.843 7.797 -0.954 25439 1852 1 3 . 1 1 72 72 ALA N N 72 117.701 117.701 121.528 -3.827 25439 1853 1 3 . 1 1 72 72 ALA HA H 72 4.395 4.395 4.453 -0.058 25439 1854 1 3 . 1 1 72 72 ALA CA C 72 52.597 52.597 51.761 0.836 25439 1855 1 3 . 1 1 72 72 ALA CB C 72 21.560 21.560 19.789 1.771 25439 1856 1 3 . 1 1 72 72 ALA H H 72 8.560 8.560 7.772 0.788 25439 1857 1 3 . 1 1 73 73 ILE N N 73 107.605 107.605 117.770 -10.165 25439 1858 1 3 . 1 1 73 73 ILE CB C 73 42.724 42.724 41.305 1.419 25439 1859 1 3 . 1 1 73 73 ILE H H 73 7.074 7.074 7.393 -0.319 25439 1860 1 3 . 1 1 74 74 SER N N 74 118.425 118.425 118.415 0.010 25439 1861 1 3 . 1 1 74 74 SER HA H 74 4.484 4.484 4.854 -0.370 25439 1862 1 3 . 1 1 74 74 SER CA C 74 57.082 57.082 57.474 -0.391 25439 1863 1 3 . 1 1 74 74 SER CB C 74 65.396 65.396 65.983 -0.587 25439 1864 1 3 . 1 1 74 74 SER H H 74 8.797 8.797 8.339 0.458 25439 1865 1 3 . 1 1 75 75 LYS N N 75 121.891 121.891 124.808 -2.917 25439 1866 1 3 . 1 1 75 75 LYS HA H 75 3.851 3.851 4.199 -0.348 25439 1867 1 3 . 1 1 75 75 LYS CA C 75 59.624 59.624 60.183 -0.559 25439 1868 1 3 . 1 1 75 75 LYS CB C 75 32.368 32.368 32.489 -0.121 25439 1869 1 3 . 1 1 75 75 LYS H H 75 9.024 9.024 9.133 -0.109 25439 1870 1 3 . 1 1 76 76 ASP N N 76 115.908 115.908 119.533 -3.625 25439 1871 1 3 . 1 1 76 76 ASP HA H 76 4.423 4.423 4.412 0.011 25439 1872 1 3 . 1 1 76 76 ASP CA C 76 57.362 57.362 57.606 -0.244 25439 1873 1 3 . 1 1 76 76 ASP CB C 76 40.391 40.391 40.307 0.084 25439 1874 1 3 . 1 1 76 76 ASP H H 76 8.161 8.161 7.926 0.235 25439 1875 1 3 . 1 1 77 77 LEU N N 77 121.705 121.705 121.106 0.599 25439 1876 1 3 . 1 1 77 77 LEU HA H 77 4.180 4.180 4.128 0.052 25439 1877 1 3 . 1 1 77 77 LEU CA C 77 57.818 57.818 57.965 -0.147 25439 1878 1 3 . 1 1 77 77 LEU H H 77 8.345 8.345 7.496 0.849 25439 1879 1 3 . 1 1 78 78 TYR N N 78 121.511 121.511 119.870 1.641 25439 1880 1 3 . 1 1 78 78 TYR HA H 78 3.789 3.789 4.007 -0.218 25439 1881 1 3 . 1 1 78 78 TYR CA C 78 62.857 62.857 60.798 2.059 25439 1882 1 3 . 1 1 78 78 TYR CB C 78 38.369 38.369 37.801 0.568 25439 1883 1 3 . 1 1 78 78 TYR H H 78 8.598 8.598 8.566 0.032 25439 1884 1 3 . 1 1 79 79 ASP N N 79 117.189 117.189 119.714 -2.525 25439 1885 1 3 . 1 1 79 79 ASP HA H 79 4.066 4.066 4.029 0.037 25439 1886 1 3 . 1 1 79 79 ASP CA C 79 57.219 57.219 57.203 0.016 25439 1887 1 3 . 1 1 79 79 ASP CB C 79 40.003 40.003 40.708 -0.705 25439 1888 1 3 . 1 1 79 79 ASP H H 79 9.106 9.106 8.554 0.552 25439 1889 1 3 . 1 1 80 80 TRP N N 80 123.400 123.400 122.583 0.817 25439 1890 1 3 . 1 1 80 80 TRP HA H 80 4.160 4.160 4.143 0.017 25439 1891 1 3 . 1 1 80 80 TRP CA C 80 62.368 62.368 61.911 0.457 25439 1892 1 3 . 1 1 80 80 TRP CB C 80 29.969 29.969 29.335 0.634 25439 1893 1 3 . 1 1 80 80 TRP H H 80 7.931 7.931 8.497 -0.566 25439 1894 1 3 . 1 1 81 81 LEU N N 81 119.674 119.674 118.766 0.908 25439 1895 1 3 . 1 1 81 81 LEU HA H 81 3.971 3.971 2.805 1.166 25439 1896 1 3 . 1 1 81 81 LEU CA C 81 58.294 58.294 57.642 0.652 25439 1897 1 3 . 1 1 81 81 LEU CB C 81 41.818 41.818 41.584 0.234 25439 1898 1 3 . 1 1 81 81 LEU H H 81 8.814 8.814 8.032 0.782 25439 1899 1 3 . 1 1 82 82 ILE N N 82 118.746 118.746 117.879 0.867 25439 1900 1 3 . 1 1 82 82 ILE HA H 82 3.861 3.861 3.743 0.118 25439 1901 1 3 . 1 1 82 82 ILE CA C 82 62.734 62.734 63.084 -0.350 25439 1902 1 3 . 1 1 82 82 ILE CB C 82 36.236 36.236 36.550 -0.314 25439 1903 1 3 . 1 1 82 82 ILE H H 82 7.886 7.886 7.530 0.356 25439 1904 1 3 . 1 1 83 83 LYS N N 83 124.819 124.819 118.924 5.895 25439 1905 1 3 . 1 1 83 83 LYS HA H 83 3.911 3.911 4.107 -0.196 25439 1906 1 3 . 1 1 83 83 LYS CA C 83 59.643 59.643 58.076 1.567 25439 1907 1 3 . 1 1 83 83 LYS CB C 83 32.027 32.027 32.685 -0.658 25439 1908 1 3 . 1 1 83 83 LYS H H 83 8.224 8.224 7.609 0.615 25439 1909 1 3 . 1 1 84 84 GLU N N 84 115.404 115.404 117.752 -2.348 25439 1910 1 3 . 1 1 84 84 GLU HA H 84 3.841 3.841 4.253 -0.412 25439 1911 1 3 . 1 1 84 84 GLU CA C 84 55.582 55.582 55.040 0.542 25439 1912 1 3 . 1 1 84 84 GLU CB C 84 29.459 29.459 28.351 1.109 25439 1913 1 3 . 1 1 84 84 GLU H H 84 8.138 8.138 7.260 0.878 25439 1914 1 3 . 1 1 85 85 LYS N N 85 111.563 111.563 118.160 -6.597 25439 1915 1 3 . 1 1 85 85 LYS HA H 85 3.820 3.820 3.944 -0.124 25439 1916 1 3 . 1 1 85 85 LYS CA C 85 57.890 57.890 57.249 0.641 25439 1917 1 3 . 1 1 85 85 LYS CB C 85 28.005 28.005 30.700 -2.695 25439 1918 1 3 . 1 1 85 85 LYS H H 85 7.719 7.719 7.900 -0.181 25439 1919 1 3 . 1 1 86 86 TYR N N 86 116.916 116.916 118.799 -1.883 25439 1920 1 3 . 1 1 86 86 TYR HA H 86 4.137 4.137 4.417 -0.280 25439 1921 1 3 . 1 1 86 86 TYR CA C 86 61.228 61.228 58.382 2.846 25439 1922 1 3 . 1 1 86 86 TYR CB C 86 39.535 39.535 40.419 -0.884 25439 1923 1 3 . 1 1 86 86 TYR H H 86 8.521 8.521 8.133 0.388 25439 1924 1 3 . 1 1 87 87 ALA N N 87 113.715 113.715 118.839 -5.124 25439 1925 1 3 . 1 1 87 87 ALA HA H 87 4.738 4.738 4.435 0.303 25439 1926 1 3 . 1 1 87 87 ALA CA C 87 49.121 49.121 50.530 -1.409 25439 1927 1 3 . 1 1 87 87 ALA CB C 87 23.295 23.295 21.276 2.019 25439 1928 1 3 . 1 1 87 87 ALA H H 87 6.959 6.959 7.911 -0.952 25439 1929 1 3 . 1 1 88 88 ASP N N 88 119.344 119.344 119.789 -0.445 25439 1930 1 3 . 1 1 88 88 ASP HA H 88 4.544 4.544 4.830 -0.286 25439 1931 1 3 . 1 1 88 88 ASP CA C 88 52.714 52.714 53.053 -0.340 25439 1932 1 3 . 1 1 88 88 ASP CB C 88 41.845 41.845 41.860 -0.015 25439 1933 1 3 . 1 1 88 88 ASP H H 88 7.870 7.870 8.493 -0.623 25439 1934 1 3 . 1 1 89 89 LYS N N 89 125.312 125.312 126.036 -0.724 25439 1935 1 3 . 1 1 89 89 LYS HA H 89 3.834 3.834 4.048 -0.214 25439 1936 1 3 . 1 1 89 89 LYS CA C 89 59.409 59.409 59.568 -0.159 25439 1937 1 3 . 1 1 89 89 LYS CB C 89 32.848 32.848 32.460 0.388 25439 1938 1 3 . 1 1 89 89 LYS H H 89 8.467 8.467 8.752 -0.285 25439 1939 1 3 . 1 1 90 90 LEU N N 90 119.899 119.899 120.009 -0.110 25439 1940 1 3 . 1 1 90 90 LEU HA H 90 4.023 4.023 4.014 0.009 25439 1941 1 3 . 1 1 90 90 LEU CA C 90 57.049 57.049 57.961 -0.912 25439 1942 1 3 . 1 1 90 90 LEU CB C 90 41.099 41.099 41.700 -0.601 25439 1943 1 3 . 1 1 90 90 LEU H H 90 8.076 8.076 7.884 0.192 25439 1944 1 3 . 1 1 91 91 LEU N N 91 123.148 123.148 120.202 2.946 25439 1945 1 3 . 1 1 91 91 LEU HA H 91 3.498 3.498 3.702 -0.204 25439 1946 1 3 . 1 1 91 91 LEU CA C 91 56.971 56.971 57.708 -0.737 25439 1947 1 3 . 1 1 91 91 LEU CB C 91 41.823 41.823 41.678 0.145 25439 1948 1 3 . 1 1 91 91 LEU H H 91 7.120 7.120 7.388 -0.268 25439 1949 1 3 . 1 1 92 92 ILE N N 92 116.780 116.780 118.872 -2.092 25439 1950 1 3 . 1 1 92 92 ILE HA H 92 3.265 3.265 3.555 -0.290 25439 1951 1 3 . 1 1 92 92 ILE CA C 92 65.178 65.178 65.388 -0.210 25439 1952 1 3 . 1 1 92 92 ILE CB C 92 38.209 38.209 37.394 0.815 25439 1953 1 3 . 1 1 92 92 ILE H H 92 7.384 7.384 8.189 -0.805 25439 1954 1 3 . 1 1 93 93 ALA N N 93 117.061 117.061 122.594 -5.533 25439 1955 1 3 . 1 1 93 93 ALA HA H 93 3.930 3.930 4.043 -0.113 25439 1956 1 3 . 1 1 93 93 ALA CA C 93 54.839 54.839 55.374 -0.535 25439 1957 1 3 . 1 1 93 93 ALA CB C 93 18.125 18.125 18.132 -0.007 25439 1958 1 3 . 1 1 93 93 ALA H H 93 7.437 7.437 8.514 -1.077 25439 1959 1 3 . 1 1 94 94 LYS N N 94 116.036 116.036 119.033 -2.997 25439 1960 1 3 . 1 1 94 94 LYS HA H 94 3.803 3.803 3.731 0.072 25439 1961 1 3 . 1 1 94 94 LYS CA C 94 56.945 56.945 59.204 -2.259 25439 1962 1 3 . 1 1 94 94 LYS CB C 94 31.047 31.047 31.811 -0.764 25439 1963 1 3 . 1 1 94 94 LYS H H 94 7.012 7.012 7.789 -0.777 25439 1964 1 3 . 1 1 95 95 TRP N N 95 118.700 118.700 117.023 1.677 25439 1965 1 3 . 1 1 95 95 TRP HA H 95 4.814 4.814 4.533 0.281 25439 1966 1 3 . 1 1 95 95 TRP CA C 95 57.136 57.136 59.248 -2.112 25439 1967 1 3 . 1 1 95 95 TRP CB C 95 28.171 28.171 29.155 -0.984 25439 1968 1 3 . 1 1 95 95 TRP H H 95 7.611 7.611 7.640 -0.029 25439 1969 1 3 . 1 1 96 96 ARG N N 96 113.031 113.031 116.429 -3.398 25439 1970 1 3 . 1 1 96 96 ARG HA H 96 4.233 4.233 4.247 -0.014 25439 1971 1 3 . 1 1 96 96 ARG CA C 96 56.234 56.234 58.081 -1.847 25439 1972 1 3 . 1 1 96 96 ARG CB C 96 30.245 30.245 30.642 -0.397 25439 1973 1 3 . 1 1 96 96 ARG H H 96 7.066 7.066 7.474 -0.408 25439 1974 1 3 . 1 1 97 97 LYS N N 97 123.252 123.252 119.324 3.928 25439 1975 1 3 . 1 1 97 97 LYS HA H 97 4.634 4.634 4.250 0.384 25439 1976 1 3 . 1 1 97 97 LYS CA C 97 54.937 54.937 57.145 -2.208 25439 1977 1 3 . 1 1 97 97 LYS CB C 97 34.166 34.166 32.950 1.216 25439 1978 1 3 . 1 1 97 97 LYS H H 97 8.467 8.467 8.254 0.213 25439 1979 1 3 . 1 1 98 98 THR N N 98 119.993 119.993 114.217 5.776 25439 1980 1 3 . 1 1 98 98 THR HA H 98 4.224 4.224 4.519 -0.295 25439 1981 1 3 . 1 1 98 98 THR CA C 98 64.670 64.670 61.740 2.930 25439 1982 1 3 . 1 1 98 98 THR CB C 98 69.200 69.200 69.555 -0.355 25439 1983 1 3 . 1 1 98 98 THR H H 98 8.329 8.329 8.083 0.246 25439 1984 1 3 . 1 1 99 99 GLY N N 99 116.645 116.645 113.406 3.239 25439 1985 1 3 . 1 1 99 99 GLY CA C 99 45.047 45.047 44.943 0.104 25439 1986 1 3 . 1 1 99 99 GLY H H 99 9.273 9.273 8.703 0.570 25439 1987 1 3 . 1 1 100 100 TYR N N 100 120.784 120.784 122.027 -1.243 25439 1988 1 3 . 1 1 100 100 TYR HA H 100 4.704 4.704 4.613 0.091 25439 1989 1 3 . 1 1 100 100 TYR CA C 100 57.697 57.697 56.199 1.498 25439 1990 1 3 . 1 1 100 100 TYR CB C 100 39.413 39.413 36.026 3.387 25439 1991 1 3 . 1 1 100 100 TYR H H 100 8.457 8.457 8.010 0.447 25439 1992 1 3 . 1 1 101 101 GLU N N 101 119.482 119.482 121.732 -2.250 25439 1993 1 3 . 1 1 101 101 GLU HA H 101 4.601 4.601 4.265 0.336 25439 1994 1 3 . 1 1 101 101 GLU CA C 101 61.207 61.207 58.387 2.820 25439 1995 1 3 . 1 1 101 101 GLU CB C 101 29.648 29.648 30.247 -0.598 25439 1996 1 3 . 1 1 101 101 GLU H H 101 9.836 9.836 7.948 1.888 25439 1997 1 3 . 1 1 102 102 LYS N N 102 115.179 115.179 120.303 -5.124 25439 1998 1 3 . 1 1 102 102 LYS HA H 102 4.295 4.295 4.563 -0.268 25439 1999 1 3 . 1 1 102 102 LYS CA C 102 54.207 54.207 55.174 -0.967 25439 2000 1 3 . 1 1 102 102 LYS CB C 102 32.489 32.489 32.494 -0.005 25439 2001 1 3 . 1 1 102 102 LYS H H 102 8.291 8.291 8.014 0.277 25439 2002 1 3 . 1 1 103 103 LEU N N 103 119.637 119.637 124.342 -4.705 25439 2003 1 3 . 1 1 103 103 LEU HA H 103 4.385 4.385 4.789 -0.404 25439 2004 1 3 . 1 1 103 103 LEU CA C 103 56.549 56.549 54.388 2.161 25439 2005 1 3 . 1 1 103 103 LEU CB C 103 43.864 43.864 44.322 -0.458 25439 2006 1 3 . 1 1 103 103 LEU H H 103 7.642 7.642 8.483 -0.841 25439 2007 1 3 . 1 1 104 104 CYS N N 104 129.651 129.651 121.726 7.925 25439 2008 1 3 . 1 1 104 104 CYS HA H 104 4.498 4.498 4.867 -0.369 25439 2009 1 3 . 1 1 104 104 CYS CA C 104 58.076 58.076 58.531 -0.455 25439 2010 1 3 . 1 1 104 104 CYS CB C 104 32.301 32.301 28.225 4.076 25439 2011 1 3 . 1 1 104 104 CYS H H 104 8.638 8.638 8.889 -0.251 25439 2012 1 3 . 1 1 105 105 CYS N N 105 120.206 120.206 118.112 2.094 25439 2013 1 3 . 1 1 105 105 CYS HA H 105 4.806 4.806 4.834 -0.028 25439 2014 1 3 . 1 1 105 105 CYS CA C 105 58.271 58.271 56.859 1.412 25439 2015 1 3 . 1 1 105 105 CYS CB C 105 32.062 32.062 30.165 1.897 25439 2016 1 3 . 1 1 105 105 CYS H H 105 8.158 8.158 8.028 0.130 25439 2017 1 3 . 1 1 106 106 LEU N N 106 115.513 115.513 121.199 -5.686 25439 2018 1 3 . 1 1 106 106 LEU HA H 106 4.054 4.054 4.253 -0.199 25439 2019 1 3 . 1 1 106 106 LEU CA C 106 56.110 56.110 56.812 -0.702 25439 2020 1 3 . 1 1 106 106 LEU CB C 106 41.227 41.227 42.352 -1.125 25439 2021 1 3 . 1 1 106 106 LEU H H 106 8.466 8.466 8.354 0.112 25439 2022 1 3 . 1 1 107 107 ARG N N 107 122.711 122.711 119.606 3.105 25439 2023 1 3 . 1 1 107 107 ARG HA H 107 3.993 3.993 4.300 -0.307 25439 2024 1 3 . 1 1 107 107 ARG CA C 107 58.311 58.311 56.136 2.175 25439 2025 1 3 . 1 1 107 107 ARG CB C 107 28.965 28.965 29.251 -0.286 25439 2026 1 3 . 1 1 107 107 ARG H H 107 8.131 8.131 8.051 0.080 25439 2027 1 3 . 1 1 108 108 CYS N N 108 119.055 119.055 119.176 -0.121 25439 2028 1 3 . 1 1 108 108 CYS HA H 108 4.101 4.101 4.720 -0.619 25439 2029 1 3 . 1 1 108 108 CYS CA C 108 63.936 63.936 57.832 6.104 25439 2030 1 3 . 1 1 108 108 CYS CB C 108 30.934 30.934 27.013 3.921 25439 2031 1 3 . 1 1 108 108 CYS H H 108 8.010 8.010 8.149 -0.139 25439 2032 1 3 . 1 1 109 109 ILE N N 109 107.315 107.315 112.879 -5.564 25439 2033 1 3 . 1 1 109 109 ILE HA H 109 4.684 4.684 4.420 0.264 25439 2034 1 3 . 1 1 109 109 ILE CA C 109 60.483 60.483 60.851 -0.368 25439 2035 1 3 . 1 1 109 109 ILE CB C 109 38.320 38.320 39.210 -0.890 25439 2036 1 3 . 1 1 109 109 ILE H H 109 7.105 7.105 7.460 -0.355 25439 2037 1 3 . 1 1 110 110 GLN N N 110 122.468 122.468 123.296 -0.828 25439 2038 1 3 . 1 1 110 110 GLN HA H 110 4.268 4.268 4.176 0.092 25439 2039 1 3 . 1 1 110 110 GLN CA C 110 55.981 55.981 56.377 -0.396 25439 2040 1 3 . 1 1 110 110 GLN CB C 110 29.656 29.656 26.902 2.754 25439 2041 1 3 . 1 1 110 110 GLN H H 110 7.156 7.156 8.555 -1.399 25439 2042 1 3 . 1 1 111 111 LYS N N 111 124.650 124.650 120.937 3.713 25439 2043 1 3 . 1 1 111 111 LYS HA H 111 4.246 4.246 4.558 -0.312 25439 2044 1 3 . 1 1 111 111 LYS CA C 111 56.546 56.546 55.521 1.025 25439 2045 1 3 . 1 1 111 111 LYS CB C 111 32.846 32.846 35.846 -2.999 25439 2046 1 3 . 1 1 111 111 LYS H H 111 8.522 8.522 8.397 0.125 25439 2047 1 3 . 1 1 112 112 ASN N N 112 120.972 120.972 117.781 3.191 25439 2048 1 3 . 1 1 112 112 ASN HA H 112 4.778 4.778 4.727 0.051 25439 2049 1 3 . 1 1 112 112 ASN CA C 112 52.902 52.902 54.878 -1.976 25439 2050 1 3 . 1 1 112 112 ASN CB C 112 39.328 39.328 39.816 -0.488 25439 2051 1 3 . 1 1 112 112 ASN H H 112 8.360 8.360 8.933 -0.573 25439 2052 1 3 . 1 1 113 113 GLU N N 113 121.710 121.710 119.320 2.390 25439 2053 1 3 . 1 1 113 113 GLU HA H 113 4.248 4.248 4.519 -0.271 25439 2054 1 3 . 1 1 113 113 GLU CA C 113 58.611 58.611 57.483 1.128 25439 2055 1 3 . 1 1 113 113 GLU CB C 113 29.590 29.590 31.254 -1.664 25439 2056 1 3 . 1 1 113 113 GLU H H 113 9.023 9.023 8.527 0.496 25439 2057 1 3 . 1 1 114 114 THR N N 114 112.186 112.186 113.877 -1.691 25439 2058 1 3 . 1 1 114 114 THR HA H 114 4.321 4.321 4.511 -0.190 25439 2059 1 3 . 1 1 114 114 THR CA C 114 63.161 63.161 60.883 2.278 25439 2060 1 3 . 1 1 114 114 THR CB C 114 69.481 69.481 69.820 -0.339 25439 2061 1 3 . 1 1 114 114 THR H H 114 8.112 8.112 7.623 0.489 25439 2062 1 3 . 1 1 115 115 ASN N N 115 119.112 119.112 119.691 -0.579 25439 2063 1 3 . 1 1 115 115 ASN HA H 115 4.829 4.829 4.784 0.045 25439 2064 1 3 . 1 1 115 115 ASN CA C 115 53.110 53.110 52.823 0.287 25439 2065 1 3 . 1 1 115 115 ASN CB C 115 38.659 38.659 38.249 0.410 25439 2066 1 3 . 1 1 115 115 ASN H H 115 8.047 8.047 8.417 -0.370 25439 2067 1 3 . 1 1 116 116 ASN N N 116 117.175 117.175 123.307 -6.132 25439 2068 1 3 . 1 1 116 116 ASN HA H 116 4.615 4.615 4.897 -0.282 25439 2069 1 3 . 1 1 116 116 ASN CA C 116 53.965 53.965 52.830 1.135 25439 2070 1 3 . 1 1 116 116 ASN CB C 116 38.173 38.173 40.094 -1.921 25439 2071 1 3 . 1 1 116 116 ASN H H 116 8.364 8.364 8.206 0.158 25439 2072 1 3 . 1 1 117 117 GLY N N 117 107.294 107.294 109.921 -2.627 25439 2073 1 3 . 1 1 117 117 GLY CA C 117 45.882 45.882 44.897 0.985 25439 2074 1 3 . 1 1 117 117 GLY H H 117 8.264 8.264 8.443 -0.179 25439 2075 1 3 . 1 1 118 118 SER N N 118 115.475 115.475 119.593 -4.118 25439 2076 1 3 . 1 1 118 118 SER HA H 118 4.586 4.586 4.711 -0.125 25439 2077 1 3 . 1 1 118 118 SER CA C 118 57.974 57.974 57.419 0.555 25439 2078 1 3 . 1 1 118 118 SER CB C 118 64.479 64.479 65.167 -0.688 25439 2079 1 3 . 1 1 118 118 SER H H 118 7.905 7.905 8.310 -0.405 25439 2080 1 3 . 1 1 119 119 THR N N 119 111.360 111.360 118.257 -6.897 25439 2081 1 3 . 1 1 119 119 THR HA H 119 4.450 4.450 4.547 -0.097 25439 2082 1 3 . 1 1 119 119 THR CA C 119 61.215 61.215 61.170 0.045 25439 2083 1 3 . 1 1 119 119 THR CB C 119 70.569 70.569 71.041 -0.472 25439 2084 1 3 . 1 1 119 119 THR H H 119 8.044 8.044 8.250 -0.206 25439 2085 1 3 . 1 1 120 120 CYS N N 120 122.708 122.708 121.120 1.588 25439 2086 1 3 . 1 1 120 120 CYS HA H 120 4.255 4.255 4.768 -0.513 25439 2087 1 3 . 1 1 120 120 CYS CA C 120 61.469 61.469 57.473 3.996 25439 2088 1 3 . 1 1 120 120 CYS CB C 120 30.892 30.892 29.375 1.517 25439 2089 1 3 . 1 1 120 120 CYS H H 120 8.045 8.045 8.469 -0.424 25439 2090 1 3 . 1 1 121 121 ILE N N 121 132.463 132.463 123.853 8.610 25439 2091 1 3 . 1 1 121 121 ILE HA H 121 4.025 4.025 3.848 0.177 25439 2092 1 3 . 1 1 121 121 ILE CA C 121 63.353 63.353 63.055 0.298 25439 2093 1 3 . 1 1 121 121 ILE CB C 121 38.222 38.222 37.643 0.579 25439 2094 1 3 . 1 1 121 121 ILE H H 121 8.237 8.237 8.394 -0.157 25439 2095 1 3 . 1 1 122 122 CYS N N 122 123.931 123.931 117.991 5.940 25439 2096 1 3 . 1 1 122 122 CYS HA H 122 4.233 4.233 4.211 0.022 25439 2097 1 3 . 1 1 122 122 CYS CA C 122 60.230 60.230 60.380 -0.150 25439 2098 1 3 . 1 1 122 122 CYS CB C 122 30.602 30.602 25.958 4.644 25439 2099 1 3 . 1 1 122 122 CYS H H 122 9.355 9.355 7.557 1.798 25439 2100 1 3 . 1 1 123 123 ARG N N 123 119.561 119.561 121.622 -2.061 25439 2101 1 3 . 1 1 123 123 ARG HA H 123 4.150 4.150 4.325 -0.175 25439 2102 1 3 . 1 1 123 123 ARG CA C 123 53.177 53.177 57.933 -4.756 25439 2103 1 3 . 1 1 123 123 ARG CB C 123 27.961 27.961 30.504 -2.543 25439 2104 1 3 . 1 1 123 123 ARG H H 123 7.677 7.677 7.631 0.046 25439 2105 1 3 . 1 1 124 124 VAL N N 124 122.794 122.794 121.554 1.240 25439 2106 1 3 . 1 1 124 124 VAL HA H 124 4.081 4.081 4.132 -0.051 25439 2107 1 3 . 1 1 124 124 VAL CA C 124 60.647 60.647 61.215 -0.568 25439 2108 1 3 . 1 1 124 124 VAL CB C 124 32.857 32.857 31.941 0.916 25439 2109 1 3 . 1 1 124 124 VAL H H 124 7.578 7.578 7.566 0.012 25439 2110 1 3 . 1 1 125 125 PRO HA H 125 4.263 4.263 4.494 -0.231 25439 2111 1 3 . 1 1 125 125 PRO CA C 125 63.268 63.268 62.189 1.079 25439 2112 1 3 . 1 1 125 125 PRO CB C 125 32.379 32.379 32.773 -0.394 25439 2113 1 3 . 1 1 126 126 ARG N N 126 128.350 128.350 119.782 8.568 25439 2114 1 3 . 1 1 126 126 ARG HA H 126 3.912 3.912 4.036 -0.124 25439 2115 1 3 . 1 1 126 126 ARG CA C 126 59.653 59.653 59.901 -0.249 25439 2116 1 3 . 1 1 126 126 ARG CB C 126 29.339 29.339 29.309 0.030 25439 2117 1 3 . 1 1 126 126 ARG H H 126 9.534 9.534 8.723 0.811 25439 2118 1 3 . 1 1 127 127 ALA N N 127 119.169 119.169 122.359 -3.190 25439 2119 1 3 . 1 1 127 127 ALA HA H 127 4.192 4.192 4.132 0.060 25439 2120 1 3 . 1 1 127 127 ALA CA C 127 55.227 55.227 55.112 0.115 25439 2121 1 3 . 1 1 127 127 ALA CB C 127 18.363 18.363 18.034 0.329 25439 2122 1 3 . 1 1 127 127 ALA H H 127 9.263 9.263 8.364 0.899 25439 2123 1 3 . 1 1 128 128 GLN N N 128 117.345 117.345 118.252 -0.907 25439 2124 1 3 . 1 1 128 128 GLN HA H 128 4.209 4.209 4.126 0.083 25439 2125 1 3 . 1 1 128 128 GLN CA C 128 58.506 58.506 58.804 -0.298 25439 2126 1 3 . 1 1 128 128 GLN CB C 128 28.220 28.220 28.250 -0.030 25439 2127 1 3 . 1 1 128 128 GLN H H 128 7.448 7.448 8.334 -0.886 25439 2128 1 3 . 1 1 129 129 LEU N N 129 120.561 120.561 120.920 -0.359 25439 2129 1 3 . 1 1 129 129 LEU HA H 129 4.088 4.088 4.321 -0.233 25439 2130 1 3 . 1 1 129 129 LEU CA C 129 57.952 57.952 57.779 0.173 25439 2131 1 3 . 1 1 129 129 LEU CB C 129 41.817 41.817 41.932 -0.115 25439 2132 1 3 . 1 1 129 129 LEU H H 129 7.622 7.622 7.537 0.085 25439 2133 1 3 . 1 1 130 130 GLU N N 130 119.122 119.122 118.325 0.797 25439 2134 1 3 . 1 1 130 130 GLU HA H 130 3.956 3.956 3.909 0.047 25439 2135 1 3 . 1 1 130 130 GLU CA C 130 59.353 59.353 59.949 -0.596 25439 2136 1 3 . 1 1 130 130 GLU CB C 130 29.337 29.337 29.261 0.076 25439 2137 1 3 . 1 1 130 130 GLU H H 130 8.656 8.656 8.543 0.113 25439 2138 1 3 . 1 1 131 131 GLU N N 131 121.469 121.469 119.240 2.229 25439 2139 1 3 . 1 1 131 131 GLU HA H 131 4.163 4.163 4.013 0.150 25439 2140 1 3 . 1 1 131 131 GLU CA C 131 59.288 59.288 59.766 -0.478 25439 2141 1 3 . 1 1 131 131 GLU CB C 131 29.422 29.422 29.325 0.098 25439 2142 1 3 . 1 1 131 131 GLU H H 131 7.922 7.922 7.818 0.104 25439 2143 1 3 . 1 1 132 132 GLU N N 132 119.241 119.241 119.329 -0.088 25439 2144 1 3 . 1 1 132 132 GLU HA H 132 3.998 3.998 3.988 0.010 25439 2145 1 3 . 1 1 132 132 GLU CA C 132 59.327 59.327 59.296 0.031 25439 2146 1 3 . 1 1 132 132 GLU CB C 132 29.421 29.421 29.300 0.121 25439 2147 1 3 . 1 1 132 132 GLU H H 132 8.099 8.099 7.614 0.485 25439 2148 1 3 . 1 1 133 133 ALA N N 133 121.302 121.302 121.843 -0.541 25439 2149 1 3 . 1 1 133 133 ALA HA H 133 4.053 4.053 4.047 0.006 25439 2150 1 3 . 1 1 133 133 ALA CA C 133 54.973 54.973 55.199 -0.226 25439 2151 1 3 . 1 1 133 133 ALA CB C 133 18.154 18.154 18.203 -0.049 25439 2152 1 3 . 1 1 133 133 ALA H H 133 7.795 7.795 7.681 0.114 25439 2153 1 3 . 1 1 134 134 ARG N N 134 118.757 118.757 117.522 1.235 25439 2154 1 3 . 1 1 134 134 ARG HA H 134 4.143 4.143 4.108 0.035 25439 2155 1 3 . 1 1 134 134 ARG CA C 134 59.438 59.438 58.342 1.096 25439 2156 1 3 . 1 1 134 134 ARG CB C 134 30.148 30.148 29.723 0.425 25439 2157 1 3 . 1 1 134 134 ARG H H 134 8.145 8.145 8.064 0.081 25439 2158 1 3 . 1 1 135 135 LYS N N 135 119.496 119.496 120.326 -0.830 25439 2159 1 3 . 1 1 135 135 LYS HA H 135 4.073 4.073 4.219 -0.146 25439 2160 1 3 . 1 1 135 135 LYS CA C 135 59.327 59.327 58.504 0.823 25439 2161 1 3 . 1 1 135 135 LYS CB C 135 32.539 32.539 32.669 -0.130 25439 2162 1 3 . 1 1 135 135 LYS H H 135 8.036 8.036 7.748 0.288 25439 2163 1 3 . 1 1 136 136 LYS N N 136 116.645 116.645 118.267 -1.622 25439 2164 1 3 . 1 1 136 136 LYS HA H 136 4.362 4.362 4.407 -0.045 25439 2165 1 3 . 1 1 136 136 LYS CA C 136 56.575 56.575 54.425 2.151 25439 2166 1 3 . 1 1 136 136 LYS CB C 136 33.629 33.629 32.213 1.416 25439 2167 1 3 . 1 1 136 136 LYS H H 136 7.682 7.682 7.708 -0.026 25439 2168 1 3 . 1 1 137 137 GLY N N 137 109.349 109.349 109.283 0.066 25439 2169 1 3 . 1 1 137 137 GLY CA C 137 46.358 46.358 46.310 0.048 25439 2170 1 3 . 1 1 137 137 GLY H H 137 8.064 8.064 7.706 0.358 25439 2171 1 3 . 1 1 138 138 THR N N 138 112.870 112.870 113.753 -0.883 25439 2172 1 3 . 1 1 138 138 THR HA H 138 4.735 4.735 4.624 0.111 25439 2173 1 3 . 1 1 138 138 THR CA C 138 59.308 59.308 60.501 -1.193 25439 2174 1 3 . 1 1 138 138 THR CB C 138 70.755 70.755 70.900 -0.145 25439 2175 1 3 . 1 1 138 138 THR H H 138 8.111 8.111 8.181 -0.070 25439 2176 1 3 . 1 1 139 139 GLN N N 139 118.177 118.177 120.520 -2.343 25439 2177 1 3 . 1 1 139 139 GLN HA H 139 4.609 4.609 4.597 0.012 25439 2178 1 3 . 1 1 139 139 GLN CA C 139 54.435 54.435 55.049 -0.614 25439 2179 1 3 . 1 1 139 139 GLN CB C 139 30.777 30.777 31.201 -0.424 25439 2180 1 3 . 1 1 139 139 GLN H H 139 8.227 8.227 8.295 -0.068 25439 2181 1 3 . 1 1 140 140 VAL N N 140 123.601 123.601 120.814 2.787 25439 2182 1 3 . 1 1 140 140 VAL HA H 140 3.790 3.790 4.369 -0.579 25439 2183 1 3 . 1 1 140 140 VAL CA C 140 63.934 63.934 61.119 2.815 25439 2184 1 3 . 1 1 140 140 VAL CB C 140 32.154 32.154 34.000 -1.846 25439 2185 1 3 . 1 1 140 140 VAL H H 140 8.839 8.839 8.175 0.664 25439 2186 1 3 . 1 1 141 141 SER HA H 141 4.524 4.524 4.524 0.000 25439 2187 1 3 . 1 1 141 141 SER CA C 141 57.841 57.841 58.346 -0.505 25439 2188 1 3 . 1 1 141 141 SER CB C 141 64.174 64.174 63.432 0.742 25439 2189 1 3 . 1 1 142 142 PHE N N 142 123.726 123.726 123.886 -0.160 25439 2190 1 3 . 1 1 142 142 PHE HA H 142 4.458 4.458 4.719 -0.261 25439 2191 1 3 . 1 1 142 142 PHE CA C 142 58.673 58.673 58.097 0.576 25439 2192 1 3 . 1 1 142 142 PHE CB C 142 40.055 40.055 40.992 -0.938 25439 2193 1 3 . 1 1 142 142 PHE H H 142 7.534 7.534 8.110 -0.576 25439 2194 1 3 . 1 1 143 143 HIS N N 143 126.548 126.548 119.123 7.425 25439 2195 1 3 . 1 1 143 143 HIS HA H 143 4.336 4.336 4.339 -0.003 25439 2196 1 3 . 1 1 143 143 HIS CA C 143 56.837 56.837 56.363 0.474 25439 2197 1 3 . 1 1 143 143 HIS CB C 143 31.949 31.949 32.312 -0.363 25439 2198 1 3 . 1 1 143 143 HIS H H 143 8.308 8.308 7.170 1.138 25439 2199 1 3 . 1 1 144 144 GLN N N 144 115.094 115.094 117.883 -2.789 25439 2200 1 3 . 1 1 144 144 GLN HA H 144 4.433 4.433 4.668 -0.235 25439 2201 1 3 . 1 1 144 144 GLN CA C 144 54.210 54.210 54.053 0.157 25439 2202 1 3 . 1 1 144 144 GLN CB C 144 32.925 32.925 31.498 1.427 25439 2203 1 3 . 1 1 144 144 GLN H H 144 7.203 7.203 7.050 0.153 25439 2204 1 3 . 1 1 145 145 CYS N N 145 123.088 123.088 120.186 2.902 25439 2205 1 3 . 1 1 145 145 CYS HA H 145 4.961 4.961 5.079 -0.118 25439 2206 1 3 . 1 1 145 145 CYS CA C 145 57.978 57.978 56.752 1.226 25439 2207 1 3 . 1 1 145 145 CYS CB C 145 33.555 33.555 30.032 3.523 25439 2208 1 3 . 1 1 145 145 CYS H H 145 8.668 8.668 8.444 0.224 25439 2209 1 3 . 1 1 146 146 VAL N N 146 113.265 113.265 121.109 -7.844 25439 2210 1 3 . 1 1 146 146 VAL HA H 146 4.238 4.238 4.302 -0.064 25439 2211 1 3 . 1 1 146 146 VAL CA C 146 64.001 64.001 64.645 -0.644 25439 2212 1 3 . 1 1 146 146 VAL CB C 146 32.157 32.157 32.176 -0.019 25439 2213 1 3 . 1 1 146 146 VAL H H 146 8.198 8.198 8.537 -0.339 25439 2214 1 3 . 1 1 147 147 HIS N N 147 120.556 120.556 117.504 3.052 25439 2215 1 3 . 1 1 147 147 HIS HA H 147 4.604 4.604 4.362 0.242 25439 2216 1 3 . 1 1 147 147 HIS CA C 147 58.708 58.708 58.646 0.062 25439 2217 1 3 . 1 1 147 147 HIS CB C 147 32.204 32.204 29.356 2.848 25439 2218 1 3 . 1 1 147 147 HIS H H 147 7.151 7.151 8.416 -1.265 25439 2219 1 3 . 1 1 148 148 CYS N N 148 112.110 112.110 112.784 -0.674 25439 2220 1 3 . 1 1 148 148 CYS HA H 148 4.889 4.889 4.149 0.740 25439 2221 1 3 . 1 1 148 148 CYS CA C 148 57.952 57.952 55.505 2.447 25439 2222 1 3 . 1 1 148 148 CYS CB C 148 32.956 32.956 30.017 2.938 25439 2223 1 3 . 1 1 148 148 CYS H H 148 7.413 7.413 7.115 0.298 25439 2224 1 3 . 1 1 149 149 GLY N N 149 112.797 112.797 107.830 4.967 25439 2225 1 3 . 1 1 149 149 GLY CA C 149 45.327 45.327 44.266 1.061 25439 2226 1 3 . 1 1 149 149 GLY H H 149 6.949 6.949 8.166 -1.217 25439 2227 1 3 . 1 1 150 150 CYS N N 150 127.277 127.277 120.165 7.112 25439 2228 1 3 . 1 1 150 150 CYS HA H 150 3.932 3.932 4.543 -0.611 25439 2229 1 3 . 1 1 150 150 CYS CA C 150 61.362 61.362 57.343 4.019 25439 2230 1 3 . 1 1 150 150 CYS CB C 150 30.632 30.632 29.837 0.795 25439 2231 1 3 . 1 1 150 150 CYS H H 150 8.240 8.240 7.125 1.115 25439 2232 1 3 . 1 1 151 151 ARG N N 151 125.476 125.476 127.017 -1.541 25439 2233 1 3 . 1 1 151 151 ARG HA H 151 4.775 4.775 4.313 0.462 25439 2234 1 3 . 1 1 151 151 ARG CA C 151 56.164 56.164 54.849 1.315 25439 2235 1 3 . 1 1 151 151 ARG CB C 151 30.354 30.354 29.477 0.877 25439 2236 1 3 . 1 1 151 151 ARG H H 151 8.492 8.492 8.687 -0.195 25439 2237 1 3 . 1 1 152 152 GLY N N 152 117.275 117.275 108.461 8.814 25439 2238 1 3 . 1 1 152 152 GLY CA C 152 45.523 45.523 45.502 0.021 25439 2239 1 3 . 1 1 152 152 GLY H H 152 9.812 9.812 7.665 2.147 25439 2240 1 3 . 1 1 153 153 CYS N N 153 126.187 126.187 118.785 7.402 25439 2241 1 3 . 1 1 153 153 CYS HA H 153 4.842 4.842 4.814 0.028 25439 2242 1 3 . 1 1 153 153 CYS CA C 153 57.130 57.130 55.765 1.365 25439 2243 1 3 . 1 1 153 153 CYS CB C 153 31.368 31.368 28.207 3.160 25439 2244 1 3 . 1 1 153 153 CYS H H 153 8.930 8.930 8.129 0.801 25439 2245 1 3 . 1 1 154 154 ALA N N 154 125.869 125.869 125.143 0.726 25439 2246 1 3 . 1 1 154 154 ALA HA H 154 4.159 4.159 5.025 -0.866 25439 2247 1 3 . 1 1 154 154 ALA CA C 154 53.187 53.187 51.204 1.983 25439 2248 1 3 . 1 1 154 154 ALA CB C 154 18.937 18.937 21.234 -2.297 25439 2249 1 3 . 1 1 154 154 ALA H H 154 8.616 8.616 8.484 0.132 25439 2250 1 3 . 1 1 155 155 SER N N 155 116.724 116.724 118.852 -2.128 25439 2251 1 3 . 1 1 155 155 SER HA H 155 4.283 4.283 4.637 -0.354 25439 2252 1 3 . 1 1 155 155 SER CA C 155 60.136 60.136 58.566 1.569 25439 2253 1 3 . 1 1 155 155 SER CB C 155 63.575 63.575 63.396 0.179 25439 2254 1 3 . 1 1 155 155 SER H H 155 9.358 9.358 8.741 0.617 25439 2255 1 3 . 1 1 156 156 THR N N 156 111.893 111.893 111.272 0.621 25439 2256 1 3 . 1 1 156 156 THR HA H 156 4.358 4.358 4.413 -0.055 25439 2257 1 3 . 1 1 156 156 THR CA C 156 61.264 61.264 62.541 -1.277 25439 2258 1 3 . 1 1 156 156 THR CB C 156 69.999 69.999 69.853 0.146 25439 2259 1 3 . 1 1 156 156 THR H H 156 7.638 7.638 7.858 -0.220 25439 2260 1 4 . 1 1 0 0 GLY CA C 0 43.750 43.750 44.729 -0.979 25439 2261 1 4 . 1 1 1 1 SER N N 1 117.201 117.201 114.704 2.497 25439 2262 1 4 . 1 1 1 1 SER HA H 1 4.809 4.809 4.642 0.167 25439 2263 1 4 . 1 1 1 1 SER CA C 1 56.525 56.525 56.305 0.220 25439 2264 1 4 . 1 1 1 1 SER CB C 1 63.385 63.385 65.483 -2.098 25439 2265 1 4 . 1 1 1 1 SER H H 1 8.381 8.381 8.168 0.213 25439 2266 1 4 . 1 1 2 2 PRO HA H 2 4.468 4.468 4.427 0.041 25439 2267 1 4 . 1 1 2 2 PRO CA C 2 63.292 63.292 62.941 0.351 25439 2268 1 4 . 1 1 2 2 PRO CB C 2 32.174 32.174 30.869 1.304 25439 2269 1 4 . 1 1 3 3 ARG N N 3 121.649 121.649 124.015 -2.366 25439 2270 1 4 . 1 1 3 3 ARG HA H 3 4.324 4.324 4.643 -0.319 25439 2271 1 4 . 1 1 3 3 ARG CA C 3 56.226 56.226 56.095 0.131 25439 2272 1 4 . 1 1 3 3 ARG CB C 3 30.732 30.732 31.503 -0.771 25439 2273 1 4 . 1 1 3 3 ARG H H 3 8.428 8.428 8.274 0.154 25439 2274 1 4 . 1 1 4 4 ILE N N 4 122.500 122.500 123.145 -0.645 25439 2275 1 4 . 1 1 4 4 ILE HA H 4 4.181 4.181 4.303 -0.122 25439 2276 1 4 . 1 1 4 4 ILE CA C 4 60.943 60.943 61.738 -0.795 25439 2277 1 4 . 1 1 4 4 ILE CB C 4 38.751 38.751 38.214 0.537 25439 2278 1 4 . 1 1 4 4 ILE H H 4 8.165 8.165 8.644 -0.479 25439 2279 1 4 . 1 1 5 5 LYS N N 5 126.237 126.237 122.844 3.393 25439 2280 1 4 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.715 -0.313 25439 2281 1 4 . 1 1 5 5 LYS CA C 5 56.422 56.422 55.761 0.660 25439 2282 1 4 . 1 1 5 5 LYS CB C 5 33.130 33.130 34.536 -1.406 25439 2283 1 4 . 1 1 5 5 LYS H H 5 8.500 8.500 7.801 0.699 25439 2284 1 4 . 1 1 6 6 THR N N 6 116.495 116.495 116.507 -0.012 25439 2285 1 4 . 1 1 6 6 THR HA H 6 4.323 4.323 4.537 -0.214 25439 2286 1 4 . 1 1 6 6 THR CA C 6 61.918 61.918 61.972 -0.054 25439 2287 1 4 . 1 1 6 6 THR CB C 6 69.963 69.963 69.424 0.539 25439 2288 1 4 . 1 1 6 6 THR H H 6 8.194 8.194 8.355 -0.161 25439 2289 1 4 . 1 1 7 7 ARG N N 7 124.128 124.128 122.554 1.574 25439 2290 1 4 . 1 1 7 7 ARG HA H 7 4.396 4.396 4.632 -0.236 25439 2291 1 4 . 1 1 7 7 ARG CA C 7 56.128 56.128 55.557 0.571 25439 2292 1 4 . 1 1 7 7 ARG CB C 7 30.953 30.953 31.857 -0.904 25439 2293 1 4 . 1 1 7 7 ARG H H 7 8.458 8.458 7.950 0.508 25439 2294 1 4 . 1 1 8 8 ARG N N 8 123.384 123.384 123.786 -0.402 25439 2295 1 4 . 1 1 8 8 ARG HA H 8 4.424 4.424 4.580 -0.156 25439 2296 1 4 . 1 1 8 8 ARG CA C 8 56.011 56.011 56.747 -0.736 25439 2297 1 4 . 1 1 8 8 ARG CB C 8 31.058 31.058 31.818 -0.760 25439 2298 1 4 . 1 1 8 8 ARG H H 8 8.526 8.526 8.732 -0.206 25439 2299 1 4 . 1 1 9 9 SER N N 9 118.446 118.446 115.149 3.297 25439 2300 1 4 . 1 1 9 9 SER HA H 9 4.473 4.473 4.664 -0.191 25439 2301 1 4 . 1 1 9 9 SER CA C 9 58.568 58.568 58.224 0.344 25439 2302 1 4 . 1 1 9 9 SER CB C 9 63.986 63.986 63.811 0.175 25439 2303 1 4 . 1 1 9 9 SER H H 9 8.450 8.450 7.984 0.466 25439 2304 1 4 . 1 1 10 10 LYS N N 10 124.117 124.117 123.971 0.146 25439 2305 1 4 . 1 1 10 10 LYS HA H 10 4.673 4.673 4.646 0.027 25439 2306 1 4 . 1 1 10 10 LYS CA C 10 54.412 54.412 54.559 -0.147 25439 2307 1 4 . 1 1 10 10 LYS CB C 10 32.693 32.693 33.598 -0.905 25439 2308 1 4 . 1 1 10 10 LYS H H 10 8.426 8.426 8.345 0.081 25439 2309 1 4 . 1 1 11 11 PRO HA H 11 4.360 4.360 4.411 -0.051 25439 2310 1 4 . 1 1 11 11 PRO CA C 11 62.861 62.861 62.346 0.515 25439 2311 1 4 . 1 1 11 11 PRO CB C 11 32.106 32.106 31.887 0.219 25439 2312 1 4 . 1 1 12 12 ALA N N 12 124.420 124.420 120.319 4.101 25439 2313 1 4 . 1 1 12 12 ALA HA H 12 2.889 2.889 2.718 0.171 25439 2314 1 4 . 1 1 12 12 ALA CA C 12 49.735 49.735 50.838 -1.103 25439 2315 1 4 . 1 1 12 12 ALA CB C 12 18.066 18.066 16.409 1.657 25439 2316 1 4 . 1 1 12 12 ALA H H 12 7.890 7.890 7.724 0.166 25439 2317 1 4 . 1 1 13 13 PRO HA H 13 4.207 4.207 4.474 -0.267 25439 2318 1 4 . 1 1 13 13 PRO CA C 13 62.111 62.111 61.664 0.447 25439 2319 1 4 . 1 1 13 13 PRO CB C 13 32.582 32.582 32.440 0.142 25439 2320 1 4 . 1 1 14 14 ASP N N 14 119.535 119.535 120.104 -0.569 25439 2321 1 4 . 1 1 14 14 ASP HA H 14 4.379 4.379 4.263 0.116 25439 2322 1 4 . 1 1 14 14 ASP CA C 14 56.427 56.427 57.239 -0.812 25439 2323 1 4 . 1 1 14 14 ASP CB C 14 41.177 41.177 40.487 0.690 25439 2324 1 4 . 1 1 14 14 ASP H H 14 8.206 8.206 8.766 -0.560 25439 2325 1 4 . 1 1 15 15 GLY N N 15 113.273 113.273 108.164 5.109 25439 2326 1 4 . 1 1 15 15 GLY CA C 15 45.146 45.146 46.723 -1.577 25439 2327 1 4 . 1 1 15 15 GLY H H 15 8.723 8.723 8.361 0.362 25439 2328 1 4 . 1 1 16 16 PHE N N 16 123.113 123.113 122.611 0.502 25439 2329 1 4 . 1 1 16 16 PHE HA H 16 4.125 4.125 4.238 -0.113 25439 2330 1 4 . 1 1 16 16 PHE CA C 16 60.715 60.715 59.490 1.225 25439 2331 1 4 . 1 1 16 16 PHE CB C 16 39.639 39.639 39.064 0.575 25439 2332 1 4 . 1 1 16 16 PHE H H 16 8.127 8.127 8.262 -0.135 25439 2333 1 4 . 1 1 17 17 GLU N N 17 115.695 115.695 119.413 -3.718 25439 2334 1 4 . 1 1 17 17 GLU HA H 17 3.768 3.768 3.815 -0.047 25439 2335 1 4 . 1 1 17 17 GLU CA C 17 59.234 59.234 59.426 -0.192 25439 2336 1 4 . 1 1 17 17 GLU CB C 17 28.495 28.495 29.269 -0.774 25439 2337 1 4 . 1 1 17 17 GLU H H 17 9.088 9.088 8.112 0.976 25439 2338 1 4 . 1 1 18 18 LYS N N 18 115.887 115.887 117.261 -1.374 25439 2339 1 4 . 1 1 18 18 LYS HA H 18 4.165 4.165 4.084 0.081 25439 2340 1 4 . 1 1 18 18 LYS CA C 18 58.249 58.249 58.894 -0.645 25439 2341 1 4 . 1 1 18 18 LYS CB C 18 32.725 32.725 32.921 -0.196 25439 2342 1 4 . 1 1 18 18 LYS H H 18 7.285 7.285 7.794 -0.509 25439 2343 1 4 . 1 1 19 19 ILE N N 19 110.277 110.277 110.427 -0.150 25439 2344 1 4 . 1 1 19 19 ILE HA H 19 4.722 4.722 4.721 0.001 25439 2345 1 4 . 1 1 19 19 ILE CA C 19 61.093 61.093 59.676 1.417 25439 2346 1 4 . 1 1 19 19 ILE CB C 19 39.139 39.139 37.909 1.230 25439 2347 1 4 . 1 1 19 19 ILE H H 19 7.031 7.031 7.474 -0.443 25439 2348 1 4 . 1 1 20 20 LYS N N 20 124.540 124.540 122.347 2.193 25439 2349 1 4 . 1 1 20 20 LYS HA H 20 3.603 3.603 3.676 -0.073 25439 2350 1 4 . 1 1 20 20 LYS CA C 20 60.917 60.917 60.308 0.609 25439 2351 1 4 . 1 1 20 20 LYS CB C 20 30.210 30.210 30.742 -0.532 25439 2352 1 4 . 1 1 20 20 LYS H H 20 7.666 7.666 7.385 0.281 25439 2353 1 4 . 1 1 21 21 PRO HA H 21 4.292 4.292 4.536 -0.244 25439 2354 1 4 . 1 1 21 21 PRO CA C 21 66.990 66.990 65.335 1.655 25439 2355 1 4 . 1 1 21 21 PRO CB C 21 30.779 30.779 31.498 -0.719 25439 2356 1 4 . 1 1 22 22 THR N N 22 114.917 114.917 115.365 -0.448 25439 2357 1 4 . 1 1 22 22 THR HA H 22 3.866 3.866 4.050 -0.184 25439 2358 1 4 . 1 1 22 22 THR CA C 22 66.575 66.575 66.521 0.054 25439 2359 1 4 . 1 1 22 22 THR CB C 22 68.731 68.731 68.515 0.216 25439 2360 1 4 . 1 1 22 22 THR H H 22 7.331 7.331 8.242 -0.911 25439 2361 1 4 . 1 1 23 23 LEU N N 23 120.152 120.152 120.495 -0.343 25439 2362 1 4 . 1 1 23 23 LEU HA H 23 4.397 4.397 4.060 0.337 25439 2363 1 4 . 1 1 23 23 LEU CA C 23 58.740 58.740 57.769 0.971 25439 2364 1 4 . 1 1 23 23 LEU CB C 23 40.489 40.489 41.797 -1.308 25439 2365 1 4 . 1 1 23 23 LEU H H 23 7.991 7.991 7.634 0.357 25439 2366 1 4 . 1 1 24 24 THR N N 24 119.365 119.365 115.445 3.920 25439 2367 1 4 . 1 1 24 24 THR HA H 24 4.095 4.095 3.932 0.163 25439 2368 1 4 . 1 1 24 24 THR CA C 24 66.834 66.834 66.731 0.103 25439 2369 1 4 . 1 1 24 24 THR CB C 24 68.614 68.614 68.334 0.280 25439 2370 1 4 . 1 1 24 24 THR H H 24 9.175 9.175 7.689 1.486 25439 2371 1 4 . 1 1 25 25 ASP N N 25 122.865 122.865 122.233 0.632 25439 2372 1 4 . 1 1 25 25 ASP HA H 25 4.483 4.483 4.351 0.132 25439 2373 1 4 . 1 1 25 25 ASP CA C 25 58.158 58.158 57.236 0.922 25439 2374 1 4 . 1 1 25 25 ASP CB C 25 40.329 40.329 40.591 -0.262 25439 2375 1 4 . 1 1 25 25 ASP H H 25 7.714 7.714 7.802 -0.088 25439 2376 1 4 . 1 1 26 26 PHE N N 26 116.182 116.182 118.898 -2.716 25439 2377 1 4 . 1 1 26 26 PHE HA H 26 4.457 4.457 4.166 0.291 25439 2378 1 4 . 1 1 26 26 PHE CA C 26 62.531 62.531 61.869 0.662 25439 2379 1 4 . 1 1 26 26 PHE CB C 26 39.468 39.468 38.927 0.541 25439 2380 1 4 . 1 1 26 26 PHE H H 26 7.816 7.816 7.870 -0.054 25439 2381 1 4 . 1 1 27 27 GLU N N 27 120.107 120.107 119.335 0.772 25439 2382 1 4 . 1 1 27 27 GLU HA H 27 4.113 4.113 4.015 0.098 25439 2383 1 4 . 1 1 27 27 GLU CA C 27 59.852 59.852 59.411 0.441 25439 2384 1 4 . 1 1 27 27 GLU CB C 27 29.692 29.692 29.254 0.438 25439 2385 1 4 . 1 1 27 27 GLU H H 27 8.068 8.068 7.931 0.137 25439 2386 1 4 . 1 1 28 28 ILE N N 28 121.494 121.494 119.069 2.425 25439 2387 1 4 . 1 1 28 28 ILE HA H 28 3.718 3.718 3.853 -0.135 25439 2388 1 4 . 1 1 28 28 ILE CA C 28 65.002 65.002 64.644 0.358 25439 2389 1 4 . 1 1 28 28 ILE CB C 28 38.023 38.023 38.060 -0.037 25439 2390 1 4 . 1 1 28 28 ILE H H 28 8.531 8.531 7.805 0.726 25439 2391 1 4 . 1 1 29 29 GLN N N 29 118.941 118.941 120.016 -1.075 25439 2392 1 4 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.135 0.045 25439 2393 1 4 . 1 1 29 29 GLN CA C 29 59.507 59.507 58.587 0.920 25439 2394 1 4 . 1 1 29 29 GLN CB C 29 29.783 29.783 28.485 1.298 25439 2395 1 4 . 1 1 29 29 GLN H H 29 8.117 8.117 7.451 0.666 25439 2396 1 4 . 1 1 30 30 LEU N N 30 121.724 121.724 120.821 0.903 25439 2397 1 4 . 1 1 30 30 LEU HA H 30 4.032 4.032 4.142 -0.110 25439 2398 1 4 . 1 1 30 30 LEU CA C 30 58.333 58.333 57.977 0.356 25439 2399 1 4 . 1 1 30 30 LEU CB C 30 42.339 42.339 42.019 0.320 25439 2400 1 4 . 1 1 30 30 LEU H H 30 8.677 8.677 8.897 -0.220 25439 2401 1 4 . 1 1 31 31 ARG N N 31 120.629 120.629 118.948 1.681 25439 2402 1 4 . 1 1 31 31 ARG HA H 31 4.105 4.105 4.047 0.058 25439 2403 1 4 . 1 1 31 31 ARG CA C 31 59.340 59.340 59.388 -0.048 25439 2404 1 4 . 1 1 31 31 ARG CB C 31 30.044 30.044 29.381 0.663 25439 2405 1 4 . 1 1 31 31 ARG H H 31 8.227 8.227 8.133 0.094 25439 2406 1 4 . 1 1 32 32 ASP N N 32 120.233 120.233 121.069 -0.836 25439 2407 1 4 . 1 1 32 32 ASP HA H 32 4.484 4.484 4.420 0.064 25439 2408 1 4 . 1 1 32 32 ASP CA C 32 57.199 57.199 57.339 -0.140 25439 2409 1 4 . 1 1 32 32 ASP CB C 32 40.202 40.202 40.474 -0.272 25439 2410 1 4 . 1 1 32 32 ASP H H 32 8.407 8.407 7.788 0.619 25439 2411 1 4 . 1 1 33 33 ALA N N 33 121.939 121.939 122.298 -0.359 25439 2412 1 4 . 1 1 33 33 ALA HA H 33 4.321 4.321 4.105 0.216 25439 2413 1 4 . 1 1 33 33 ALA CA C 33 54.207 54.207 55.026 -0.819 25439 2414 1 4 . 1 1 33 33 ALA CB C 33 18.738 18.738 18.381 0.357 25439 2415 1 4 . 1 1 33 33 ALA H H 33 8.057 8.057 7.647 0.410 25439 2416 1 4 . 1 1 34 34 GLN N N 34 114.736 114.736 117.513 -2.777 25439 2417 1 4 . 1 1 34 34 GLN HA H 34 4.248 4.248 4.034 0.214 25439 2418 1 4 . 1 1 34 34 GLN CA C 34 56.567 56.567 58.888 -2.321 25439 2419 1 4 . 1 1 34 34 GLN CB C 34 29.743 29.743 28.760 0.983 25439 2420 1 4 . 1 1 34 34 GLN H H 34 7.746 7.746 8.048 -0.302 25439 2421 1 4 . 1 1 35 35 LYS N N 35 120.534 120.534 117.872 2.662 25439 2422 1 4 . 1 1 35 35 LYS HA H 35 4.232 4.232 4.241 -0.009 25439 2423 1 4 . 1 1 35 35 LYS CA C 35 57.427 57.427 57.969 -0.542 25439 2424 1 4 . 1 1 35 35 LYS CB C 35 32.887 32.887 32.344 0.543 25439 2425 1 4 . 1 1 35 35 LYS H H 35 7.570 7.570 8.010 -0.440 25439 2426 1 4 . 1 1 36 36 ASP N N 36 120.943 120.943 120.833 0.110 25439 2427 1 4 . 1 1 36 36 ASP HA H 36 4.595 4.595 4.370 0.225 25439 2428 1 4 . 1 1 36 36 ASP CA C 36 54.983 54.983 56.858 -1.875 25439 2429 1 4 . 1 1 36 36 ASP CB C 36 41.129 41.129 40.544 0.586 25439 2430 1 4 . 1 1 36 36 ASP H H 36 8.375 8.375 8.171 0.204 25439 2431 1 4 . 1 1 37 37 LYS N N 37 122.598 122.598 118.185 4.413 25439 2432 1 4 . 1 1 37 37 LYS HA H 37 4.365 4.365 3.957 0.408 25439 2433 1 4 . 1 1 37 37 LYS CA C 37 56.725 56.725 57.888 -1.163 25439 2434 1 4 . 1 1 37 37 LYS CB C 37 32.823 32.823 32.904 -0.081 25439 2435 1 4 . 1 1 37 37 LYS H H 37 8.446 8.446 7.623 0.823 25439 2436 1 4 . 1 1 38 38 SER N N 38 115.849 115.849 113.165 2.684 25439 2437 1 4 . 1 1 38 38 SER HA H 38 4.423 4.423 4.241 0.182 25439 2438 1 4 . 1 1 38 38 SER CA C 38 59.193 59.193 59.820 -0.627 25439 2439 1 4 . 1 1 38 38 SER CB C 38 63.744 63.744 62.559 1.185 25439 2440 1 4 . 1 1 38 38 SER H H 38 8.392 8.392 7.761 0.631 25439 2441 1 4 . 1 1 39 39 SER N N 39 117.258 117.258 115.746 1.512 25439 2442 1 4 . 1 1 39 39 SER HA H 39 4.445 4.445 4.471 -0.026 25439 2443 1 4 . 1 1 39 39 SER CA C 39 58.933 58.933 59.440 -0.507 25439 2444 1 4 . 1 1 39 39 SER CB C 39 63.711 63.711 63.548 0.163 25439 2445 1 4 . 1 1 39 39 SER H H 39 8.283 8.283 8.458 -0.175 25439 2446 1 4 . 1 1 40 40 LYS N N 40 122.427 122.427 122.981 -0.554 25439 2447 1 4 . 1 1 40 40 LYS HA H 40 4.321 4.321 4.571 -0.250 25439 2448 1 4 . 1 1 40 40 LYS CA C 40 56.847 56.847 55.811 1.036 25439 2449 1 4 . 1 1 40 40 LYS CB C 40 32.764 32.764 31.419 1.345 25439 2450 1 4 . 1 1 40 40 LYS H H 40 8.263 8.263 8.343 -0.080 25439 2451 1 4 . 1 1 41 41 LEU N N 41 121.281 121.281 122.163 -0.882 25439 2452 1 4 . 1 1 41 41 LEU HA H 41 4.308 4.308 4.403 -0.095 25439 2453 1 4 . 1 1 41 41 LEU CA C 41 55.335 55.335 55.819 -0.484 25439 2454 1 4 . 1 1 41 41 LEU CB C 41 42.212 42.212 43.742 -1.530 25439 2455 1 4 . 1 1 41 41 LEU H H 41 8.068 8.068 7.966 0.102 25439 2456 1 4 . 1 1 42 42 ALA N N 42 123.964 123.964 128.591 -4.627 25439 2457 1 4 . 1 1 42 42 ALA HA H 42 4.274 4.274 4.694 -0.420 25439 2458 1 4 . 1 1 42 42 ALA CA C 42 52.851 52.851 51.725 1.125 25439 2459 1 4 . 1 1 42 42 ALA CB C 42 19.135 19.135 19.044 0.091 25439 2460 1 4 . 1 1 42 42 ALA H H 42 8.111 8.111 8.512 -0.401 25439 2461 1 4 . 1 1 43 43 ALA N N 43 122.146 122.146 126.748 -4.602 25439 2462 1 4 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.322 -0.025 25439 2463 1 4 . 1 1 43 43 ALA CA C 43 52.727 52.727 52.486 0.241 25439 2464 1 4 . 1 1 43 43 ALA CB C 43 19.318 19.318 20.070 -0.752 25439 2465 1 4 . 1 1 43 43 ALA H H 43 8.101 8.101 8.099 0.002 25439 2466 1 4 . 1 1 44 44 LYS N N 44 119.454 119.454 120.110 -0.656 25439 2467 1 4 . 1 1 44 44 LYS HA H 44 4.349 4.349 3.864 0.485 25439 2468 1 4 . 1 1 44 44 LYS CA C 44 56.267 56.267 56.636 -0.369 25439 2469 1 4 . 1 1 44 44 LYS CB C 44 32.825 32.825 31.849 0.977 25439 2470 1 4 . 1 1 44 44 LYS H H 44 8.198 8.198 8.579 -0.381 25439 2471 1 4 . 1 1 45 45 SER N N 45 116.660 116.660 114.227 2.433 25439 2472 1 4 . 1 1 45 45 SER HA H 45 4.368 4.368 4.358 0.010 25439 2473 1 4 . 1 1 45 45 SER CA C 45 58.477 58.477 58.859 -0.382 25439 2474 1 4 . 1 1 45 45 SER CB C 45 64.063 64.063 63.708 0.355 25439 2475 1 4 . 1 1 45 45 SER H H 45 8.251 8.251 8.307 -0.056 25439 2476 1 4 . 1 1 46 46 ASN N N 46 120.516 120.516 119.929 0.587 25439 2477 1 4 . 1 1 46 46 ASN HA H 46 4.361 4.361 4.179 0.182 25439 2478 1 4 . 1 1 46 46 ASN CA C 46 54.657 54.657 55.819 -1.162 25439 2479 1 4 . 1 1 46 46 ASN CB C 46 37.649 37.649 37.655 -0.006 25439 2480 1 4 . 1 1 46 46 ASN H H 46 8.498 8.498 8.565 -0.067 25439 2481 1 4 . 1 1 47 47 GLU N N 47 117.964 117.964 117.336 0.628 25439 2482 1 4 . 1 1 47 47 GLU HA H 47 3.350 3.350 2.999 0.351 25439 2483 1 4 . 1 1 47 47 GLU CA C 47 59.213 59.213 59.252 -0.039 25439 2484 1 4 . 1 1 47 47 GLU CB C 47 28.998 28.998 28.976 0.022 25439 2485 1 4 . 1 1 47 47 GLU H H 47 8.016 8.016 8.279 -0.263 25439 2486 1 4 . 1 1 48 48 GLN N N 48 119.468 119.468 119.211 0.257 25439 2487 1 4 . 1 1 48 48 GLN HA H 48 4.250 4.250 4.055 0.195 25439 2488 1 4 . 1 1 48 48 GLN CA C 48 58.529 58.529 58.337 0.192 25439 2489 1 4 . 1 1 48 48 GLN CB C 48 28.902 28.902 27.987 0.915 25439 2490 1 4 . 1 1 48 48 GLN H H 48 7.892 7.892 7.368 0.524 25439 2491 1 4 . 1 1 49 49 LEU N N 49 120.145 120.145 120.196 -0.051 25439 2492 1 4 . 1 1 49 49 LEU HA H 49 4.232 4.232 3.924 0.308 25439 2493 1 4 . 1 1 49 49 LEU CA C 49 57.479 57.479 57.977 -0.499 25439 2494 1 4 . 1 1 49 49 LEU CB C 49 41.391 41.391 41.860 -0.469 25439 2495 1 4 . 1 1 49 49 LEU H H 49 7.699 7.699 7.666 0.033 25439 2496 1 4 . 1 1 50 50 TRP N N 50 119.596 119.596 117.563 2.033 25439 2497 1 4 . 1 1 50 50 TRP HA H 50 4.520 4.520 4.467 0.053 25439 2498 1 4 . 1 1 50 50 TRP CA C 50 58.353 58.353 57.517 0.837 25439 2499 1 4 . 1 1 50 50 TRP CB C 50 28.880 28.880 27.941 0.939 25439 2500 1 4 . 1 1 50 50 TRP H H 50 8.385 8.385 7.554 0.831 25439 2501 1 4 . 1 1 51 51 GLU N N 51 119.362 119.362 119.088 0.274 25439 2502 1 4 . 1 1 51 51 GLU HA H 51 4.145 4.145 4.221 -0.076 25439 2503 1 4 . 1 1 51 51 GLU CA C 51 60.035 60.035 59.110 0.925 25439 2504 1 4 . 1 1 51 51 GLU CB C 51 29.675 29.675 29.435 0.240 25439 2505 1 4 . 1 1 51 51 GLU H H 51 8.223 8.223 7.766 0.457 25439 2506 1 4 . 1 1 52 52 ILE N N 52 119.018 119.018 120.295 -1.277 25439 2507 1 4 . 1 1 52 52 ILE HA H 52 3.673 3.673 3.719 -0.046 25439 2508 1 4 . 1 1 52 52 ILE CA C 52 65.511 65.511 65.421 0.090 25439 2509 1 4 . 1 1 52 52 ILE CB C 52 38.532 38.532 38.094 0.438 25439 2510 1 4 . 1 1 52 52 ILE H H 52 7.801 7.801 7.749 0.052 25439 2511 1 4 . 1 1 53 53 MET N N 53 118.133 118.133 117.018 1.115 25439 2512 1 4 . 1 1 53 53 MET HA H 53 4.452 4.452 4.066 0.386 25439 2513 1 4 . 1 1 53 53 MET CA C 53 58.216 58.216 58.615 -0.399 25439 2514 1 4 . 1 1 53 53 MET CB C 53 31.838 31.838 31.739 0.099 25439 2515 1 4 . 1 1 53 53 MET H H 53 8.411 8.411 7.582 0.829 25439 2516 1 4 . 1 1 54 54 GLN N N 54 120.855 120.855 119.280 1.575 25439 2517 1 4 . 1 1 54 54 GLN HA H 54 4.333 4.333 4.013 0.320 25439 2518 1 4 . 1 1 54 54 GLN CA C 54 59.004 59.004 58.244 0.760 25439 2519 1 4 . 1 1 54 54 GLN CB C 54 27.824 27.824 28.974 -1.150 25439 2520 1 4 . 1 1 54 54 GLN H H 54 8.860 8.860 8.502 0.358 25439 2521 1 4 . 1 1 55 55 LEU N N 55 122.788 122.788 121.168 1.620 25439 2522 1 4 . 1 1 55 55 LEU HA H 55 4.302 4.302 4.132 0.170 25439 2523 1 4 . 1 1 55 55 LEU CA C 55 58.685 58.685 58.063 0.622 25439 2524 1 4 . 1 1 55 55 LEU CB C 55 42.695 42.695 41.911 0.784 25439 2525 1 4 . 1 1 55 55 LEU H H 55 8.298 8.298 8.296 0.002 25439 2526 1 4 . 1 1 56 56 HIS N N 56 118.426 118.426 118.068 0.358 25439 2527 1 4 . 1 1 56 56 HIS HA H 56 4.317 4.317 4.166 0.151 25439 2528 1 4 . 1 1 56 56 HIS CA C 56 60.732 60.732 60.127 0.605 25439 2529 1 4 . 1 1 56 56 HIS CB C 56 30.530 30.530 29.654 0.876 25439 2530 1 4 . 1 1 56 56 HIS H H 56 8.416 8.416 7.925 0.491 25439 2531 1 4 . 1 1 57 57 HIS N N 57 121.197 121.197 119.596 1.601 25439 2532 1 4 . 1 1 57 57 HIS HA H 57 4.318 4.318 4.507 -0.189 25439 2533 1 4 . 1 1 57 57 HIS CA C 57 60.739 60.739 58.758 1.980 25439 2534 1 4 . 1 1 57 57 HIS CB C 57 28.726 28.726 30.108 -1.382 25439 2535 1 4 . 1 1 57 57 HIS H H 57 8.608 8.608 8.215 0.393 25439 2536 1 4 . 1 1 58 58 GLN N N 58 118.739 118.739 118.536 0.203 25439 2537 1 4 . 1 1 58 58 GLN HA H 58 4.202 4.202 4.158 0.044 25439 2538 1 4 . 1 1 58 58 GLN CA C 58 59.507 59.507 59.362 0.145 25439 2539 1 4 . 1 1 58 58 GLN CB C 58 29.111 29.111 28.590 0.521 25439 2540 1 4 . 1 1 58 58 GLN H H 58 9.206 9.206 8.336 0.870 25439 2541 1 4 . 1 1 59 59 ARG N N 59 122.498 122.498 120.202 2.296 25439 2542 1 4 . 1 1 59 59 ARG HA H 59 3.437 3.437 3.801 -0.364 25439 2543 1 4 . 1 1 59 59 ARG CA C 59 60.361 60.361 58.821 1.540 25439 2544 1 4 . 1 1 59 59 ARG H H 59 8.623 8.623 7.906 0.717 25439 2545 1 4 . 1 1 60 60 SER N N 60 114.930 114.930 115.400 -0.470 25439 2546 1 4 . 1 1 60 60 SER HA H 60 4.515 4.515 4.189 0.326 25439 2547 1 4 . 1 1 60 60 SER CA C 60 64.832 64.832 61.689 3.143 25439 2548 1 4 . 1 1 60 60 SER CB C 60 63.583 63.583 63.148 0.435 25439 2549 1 4 . 1 1 60 60 SER H H 60 7.993 7.993 8.555 -0.562 25439 2550 1 4 . 1 1 61 61 ARG N N 61 124.417 124.417 122.471 1.946 25439 2551 1 4 . 1 1 61 61 ARG HA H 61 4.204 4.204 4.161 0.043 25439 2552 1 4 . 1 1 61 61 ARG CA C 61 58.852 58.852 59.594 -0.742 25439 2553 1 4 . 1 1 61 61 ARG CB C 61 29.077 29.077 30.155 -1.078 25439 2554 1 4 . 1 1 61 61 ARG H H 61 9.569 9.569 8.626 0.943 25439 2555 1 4 . 1 1 62 62 TYR N N 62 124.484 124.484 120.718 3.766 25439 2556 1 4 . 1 1 62 62 TYR HA H 62 4.676 4.676 4.257 0.419 25439 2557 1 4 . 1 1 62 62 TYR CA C 62 61.006 61.006 61.945 -0.939 25439 2558 1 4 . 1 1 62 62 TYR CB C 62 38.392 38.392 38.646 -0.254 25439 2559 1 4 . 1 1 62 62 TYR H H 62 8.622 8.622 8.130 0.492 25439 2560 1 4 . 1 1 63 63 ILE N N 63 119.789 119.789 119.101 0.688 25439 2561 1 4 . 1 1 63 63 ILE HA H 63 3.492 3.492 3.810 -0.318 25439 2562 1 4 . 1 1 63 63 ILE CA C 63 65.693 65.693 65.571 0.122 25439 2563 1 4 . 1 1 63 63 ILE CB C 63 38.023 38.023 38.355 -0.332 25439 2564 1 4 . 1 1 63 63 ILE H H 63 7.588 7.588 8.102 -0.514 25439 2565 1 4 . 1 1 64 64 TYR N N 64 120.485 120.485 120.698 -0.213 25439 2566 1 4 . 1 1 64 64 TYR HA H 64 4.577 4.577 4.374 0.203 25439 2567 1 4 . 1 1 64 64 TYR CA C 64 61.759 61.759 61.680 0.079 25439 2568 1 4 . 1 1 64 64 TYR CB C 64 39.772 39.772 38.400 1.372 25439 2569 1 4 . 1 1 64 64 TYR H H 64 9.166 9.166 9.254 -0.088 25439 2570 1 4 . 1 1 65 65 THR N N 65 117.072 117.072 116.296 0.776 25439 2571 1 4 . 1 1 65 65 THR HA H 65 3.562 3.562 4.079 -0.517 25439 2572 1 4 . 1 1 65 65 THR CA C 65 67.016 67.016 65.688 1.328 25439 2573 1 4 . 1 1 65 65 THR CB C 65 68.711 68.711 68.821 -0.110 25439 2574 1 4 . 1 1 65 65 THR H H 65 8.987 8.987 8.349 0.638 25439 2575 1 4 . 1 1 66 66 LEU N N 66 122.107 122.107 121.623 0.484 25439 2576 1 4 . 1 1 66 66 LEU HA H 66 3.782 3.782 4.291 -0.509 25439 2577 1 4 . 1 1 66 66 LEU CA C 66 58.476 58.476 58.113 0.363 25439 2578 1 4 . 1 1 66 66 LEU CB C 66 43.183 43.183 40.964 2.220 25439 2579 1 4 . 1 1 66 66 LEU H H 66 8.286 8.286 7.642 0.644 25439 2580 1 4 . 1 1 67 67 TYR N N 67 115.264 115.264 118.945 -3.681 25439 2581 1 4 . 1 1 67 67 TYR HA H 67 4.344 4.344 4.118 0.226 25439 2582 1 4 . 1 1 67 67 TYR CA C 67 60.830 60.830 61.595 -0.765 25439 2583 1 4 . 1 1 67 67 TYR CB C 67 40.376 40.376 39.431 0.945 25439 2584 1 4 . 1 1 67 67 TYR H H 67 7.983 7.983 8.471 -0.488 25439 2585 1 4 . 1 1 68 68 TYR N N 68 113.945 113.945 116.646 -2.701 25439 2586 1 4 . 1 1 68 68 TYR HA H 68 3.699 3.699 4.315 -0.616 25439 2587 1 4 . 1 1 68 68 TYR CA C 68 62.030 62.030 60.410 1.619 25439 2588 1 4 . 1 1 68 68 TYR CB C 68 38.046 38.046 38.871 -0.825 25439 2589 1 4 . 1 1 68 68 TYR H H 68 8.297 8.297 7.613 0.684 25439 2590 1 4 . 1 1 69 69 LYS N N 69 114.346 114.346 118.702 -4.356 25439 2591 1 4 . 1 1 69 69 LYS HA H 69 4.564 4.564 4.515 0.049 25439 2592 1 4 . 1 1 69 69 LYS CA C 69 56.821 56.821 57.036 -0.215 25439 2593 1 4 . 1 1 69 69 LYS CB C 69 31.980 31.980 33.733 -1.753 25439 2594 1 4 . 1 1 69 69 LYS H H 69 7.084 7.084 7.464 -0.380 25439 2595 1 4 . 1 1 70 70 ARG N N 70 114.676 114.676 118.265 -3.589 25439 2596 1 4 . 1 1 70 70 ARG HA H 70 4.251 4.251 4.175 0.076 25439 2597 1 4 . 1 1 70 70 ARG CA C 70 56.314 56.314 56.290 0.024 25439 2598 1 4 . 1 1 70 70 ARG CB C 70 31.128 31.128 30.793 0.335 25439 2599 1 4 . 1 1 70 70 ARG H H 70 8.178 8.178 7.840 0.338 25439 2600 1 4 . 1 1 71 71 LYS N N 71 115.371 115.371 116.049 -0.678 25439 2601 1 4 . 1 1 71 71 LYS HA H 71 4.036 4.036 3.734 0.302 25439 2602 1 4 . 1 1 71 71 LYS CA C 71 57.121 57.121 56.998 0.123 25439 2603 1 4 . 1 1 71 71 LYS CB C 71 28.897 28.897 30.268 -1.371 25439 2604 1 4 . 1 1 71 71 LYS H H 71 6.843 6.843 7.863 -1.020 25439 2605 1 4 . 1 1 72 72 ALA N N 72 117.701 117.701 120.858 -3.157 25439 2606 1 4 . 1 1 72 72 ALA HA H 72 4.395 4.395 4.426 -0.031 25439 2607 1 4 . 1 1 72 72 ALA CA C 72 52.597 52.597 52.063 0.534 25439 2608 1 4 . 1 1 72 72 ALA CB C 72 21.560 21.560 19.871 1.689 25439 2609 1 4 . 1 1 72 72 ALA H H 72 8.560 8.560 7.683 0.877 25439 2610 1 4 . 1 1 73 73 ILE N N 73 107.605 107.605 117.344 -9.739 25439 2611 1 4 . 1 1 73 73 ILE CB C 73 42.724 42.724 41.598 1.126 25439 2612 1 4 . 1 1 73 73 ILE H H 73 7.074 7.074 7.305 -0.231 25439 2613 1 4 . 1 1 74 74 SER N N 74 118.425 118.425 119.166 -0.741 25439 2614 1 4 . 1 1 74 74 SER HA H 74 4.484 4.484 4.875 -0.391 25439 2615 1 4 . 1 1 74 74 SER CA C 74 57.082 57.082 56.972 0.110 25439 2616 1 4 . 1 1 74 74 SER CB C 74 65.396 65.396 65.606 -0.210 25439 2617 1 4 . 1 1 74 74 SER H H 74 8.797 8.797 8.370 0.427 25439 2618 1 4 . 1 1 75 75 LYS N N 75 121.891 121.891 124.266 -2.375 25439 2619 1 4 . 1 1 75 75 LYS HA H 75 3.851 3.851 4.279 -0.428 25439 2620 1 4 . 1 1 75 75 LYS CA C 75 59.624 59.624 59.702 -0.078 25439 2621 1 4 . 1 1 75 75 LYS CB C 75 32.368 32.368 32.249 0.119 25439 2622 1 4 . 1 1 75 75 LYS H H 75 9.024 9.024 9.227 -0.203 25439 2623 1 4 . 1 1 76 76 ASP N N 76 115.908 115.908 118.039 -2.131 25439 2624 1 4 . 1 1 76 76 ASP HA H 76 4.423 4.423 4.432 -0.009 25439 2625 1 4 . 1 1 76 76 ASP CA C 76 57.362 57.362 57.369 -0.007 25439 2626 1 4 . 1 1 76 76 ASP CB C 76 40.391 40.391 40.226 0.165 25439 2627 1 4 . 1 1 76 76 ASP H H 76 8.161 8.161 8.620 -0.459 25439 2628 1 4 . 1 1 77 77 LEU N N 77 121.705 121.705 121.058 0.647 25439 2629 1 4 . 1 1 77 77 LEU HA H 77 4.180 4.180 4.130 0.050 25439 2630 1 4 . 1 1 77 77 LEU CA C 77 57.818 57.818 57.694 0.124 25439 2631 1 4 . 1 1 77 77 LEU H H 77 8.345 8.345 7.497 0.848 25439 2632 1 4 . 1 1 78 78 TYR N N 78 121.511 121.511 119.919 1.592 25439 2633 1 4 . 1 1 78 78 TYR HA H 78 3.789 3.789 4.015 -0.226 25439 2634 1 4 . 1 1 78 78 TYR CA C 78 62.857 62.857 60.645 2.212 25439 2635 1 4 . 1 1 78 78 TYR CB C 78 38.369 38.369 37.810 0.559 25439 2636 1 4 . 1 1 78 78 TYR H H 78 8.598 8.598 8.646 -0.048 25439 2637 1 4 . 1 1 79 79 ASP N N 79 117.189 117.189 119.882 -2.693 25439 2638 1 4 . 1 1 79 79 ASP HA H 79 4.066 4.066 4.052 0.014 25439 2639 1 4 . 1 1 79 79 ASP CA C 79 57.219 57.219 57.312 -0.093 25439 2640 1 4 . 1 1 79 79 ASP CB C 79 40.003 40.003 40.633 -0.630 25439 2641 1 4 . 1 1 79 79 ASP H H 79 9.106 9.106 8.615 0.491 25439 2642 1 4 . 1 1 80 80 TRP N N 80 123.400 123.400 121.786 1.614 25439 2643 1 4 . 1 1 80 80 TRP HA H 80 4.160 4.160 4.128 0.032 25439 2644 1 4 . 1 1 80 80 TRP CA C 80 62.368 62.368 61.881 0.487 25439 2645 1 4 . 1 1 80 80 TRP CB C 80 29.969 29.969 29.401 0.568 25439 2646 1 4 . 1 1 80 80 TRP H H 80 7.931 7.931 8.320 -0.389 25439 2647 1 4 . 1 1 81 81 LEU N N 81 119.674 119.674 118.494 1.180 25439 2648 1 4 . 1 1 81 81 LEU HA H 81 3.971 3.971 2.813 1.158 25439 2649 1 4 . 1 1 81 81 LEU CA C 81 58.294 58.294 57.581 0.713 25439 2650 1 4 . 1 1 81 81 LEU CB C 81 41.818 41.818 41.557 0.261 25439 2651 1 4 . 1 1 81 81 LEU H H 81 8.814 8.814 7.946 0.868 25439 2652 1 4 . 1 1 82 82 ILE N N 82 118.746 118.746 118.867 -0.121 25439 2653 1 4 . 1 1 82 82 ILE HA H 82 3.861 3.861 3.757 0.104 25439 2654 1 4 . 1 1 82 82 ILE CA C 82 62.734 62.734 63.089 -0.355 25439 2655 1 4 . 1 1 82 82 ILE CB C 82 36.236 36.236 36.387 -0.151 25439 2656 1 4 . 1 1 82 82 ILE H H 82 7.886 7.886 7.576 0.310 25439 2657 1 4 . 1 1 83 83 LYS N N 83 124.819 124.819 118.218 6.601 25439 2658 1 4 . 1 1 83 83 LYS HA H 83 3.911 3.911 4.145 -0.234 25439 2659 1 4 . 1 1 83 83 LYS CA C 83 59.643 59.643 57.256 2.387 25439 2660 1 4 . 1 1 83 83 LYS CB C 83 32.027 32.027 32.425 -0.398 25439 2661 1 4 . 1 1 83 83 LYS H H 83 8.224 8.224 7.546 0.678 25439 2662 1 4 . 1 1 84 84 GLU N N 84 115.404 115.404 118.136 -2.732 25439 2663 1 4 . 1 1 84 84 GLU HA H 84 3.841 3.841 4.360 -0.519 25439 2664 1 4 . 1 1 84 84 GLU CA C 84 55.582 55.582 54.549 1.033 25439 2665 1 4 . 1 1 84 84 GLU CB C 84 29.459 29.459 28.821 0.638 25439 2666 1 4 . 1 1 84 84 GLU H H 84 8.138 8.138 7.204 0.934 25439 2667 1 4 . 1 1 85 85 LYS N N 85 111.563 111.563 119.137 -7.574 25439 2668 1 4 . 1 1 85 85 LYS HA H 85 3.820 3.820 4.003 -0.183 25439 2669 1 4 . 1 1 85 85 LYS CA C 85 57.890 57.890 57.165 0.725 25439 2670 1 4 . 1 1 85 85 LYS CB C 85 28.005 28.005 30.559 -2.554 25439 2671 1 4 . 1 1 85 85 LYS H H 85 7.719 7.719 7.791 -0.072 25439 2672 1 4 . 1 1 86 86 TYR N N 86 116.916 116.916 117.987 -1.071 25439 2673 1 4 . 1 1 86 86 TYR HA H 86 4.137 4.137 4.435 -0.298 25439 2674 1 4 . 1 1 86 86 TYR CA C 86 61.228 61.228 58.760 2.468 25439 2675 1 4 . 1 1 86 86 TYR CB C 86 39.535 39.535 40.922 -1.387 25439 2676 1 4 . 1 1 86 86 TYR H H 86 8.521 8.521 8.130 0.391 25439 2677 1 4 . 1 1 87 87 ALA N N 87 113.715 113.715 118.630 -4.915 25439 2678 1 4 . 1 1 87 87 ALA HA H 87 4.738 4.738 4.270 0.468 25439 2679 1 4 . 1 1 87 87 ALA CA C 87 49.121 49.121 50.344 -1.223 25439 2680 1 4 . 1 1 87 87 ALA CB C 87 23.295 23.295 21.477 1.818 25439 2681 1 4 . 1 1 87 87 ALA H H 87 6.959 6.959 7.609 -0.650 25439 2682 1 4 . 1 1 88 88 ASP N N 88 119.344 119.344 119.747 -0.403 25439 2683 1 4 . 1 1 88 88 ASP HA H 88 4.544 4.544 4.903 -0.359 25439 2684 1 4 . 1 1 88 88 ASP CA C 88 52.714 52.714 52.927 -0.213 25439 2685 1 4 . 1 1 88 88 ASP CB C 88 41.845 41.845 41.759 0.086 25439 2686 1 4 . 1 1 88 88 ASP H H 88 7.870 7.870 8.607 -0.737 25439 2687 1 4 . 1 1 89 89 LYS N N 89 125.312 125.312 126.451 -1.139 25439 2688 1 4 . 1 1 89 89 LYS HA H 89 3.834 3.834 4.072 -0.238 25439 2689 1 4 . 1 1 89 89 LYS CA C 89 59.409 59.409 59.315 0.094 25439 2690 1 4 . 1 1 89 89 LYS CB C 89 32.848 32.848 32.419 0.429 25439 2691 1 4 . 1 1 89 89 LYS H H 89 8.467 8.467 8.755 -0.288 25439 2692 1 4 . 1 1 90 90 LEU N N 90 119.899 119.899 120.238 -0.339 25439 2693 1 4 . 1 1 90 90 LEU HA H 90 4.023 4.023 4.001 0.022 25439 2694 1 4 . 1 1 90 90 LEU CA C 90 57.049 57.049 57.892 -0.843 25439 2695 1 4 . 1 1 90 90 LEU CB C 90 41.099 41.099 41.673 -0.574 25439 2696 1 4 . 1 1 90 90 LEU H H 90 8.076 8.076 7.840 0.236 25439 2697 1 4 . 1 1 91 91 LEU N N 91 123.148 123.148 120.164 2.984 25439 2698 1 4 . 1 1 91 91 LEU HA H 91 3.498 3.498 3.669 -0.171 25439 2699 1 4 . 1 1 91 91 LEU CA C 91 56.971 56.971 57.662 -0.691 25439 2700 1 4 . 1 1 91 91 LEU CB C 91 41.823 41.823 41.641 0.183 25439 2701 1 4 . 1 1 91 91 LEU H H 91 7.120 7.120 7.715 -0.595 25439 2702 1 4 . 1 1 92 92 ILE N N 92 116.780 116.780 118.213 -1.433 25439 2703 1 4 . 1 1 92 92 ILE HA H 92 3.265 3.265 3.597 -0.332 25439 2704 1 4 . 1 1 92 92 ILE CA C 92 65.178 65.178 65.052 0.126 25439 2705 1 4 . 1 1 92 92 ILE CB C 92 38.209 38.209 37.399 0.810 25439 2706 1 4 . 1 1 92 92 ILE H H 92 7.384 7.384 8.173 -0.789 25439 2707 1 4 . 1 1 93 93 ALA N N 93 117.061 117.061 122.692 -5.631 25439 2708 1 4 . 1 1 93 93 ALA HA H 93 3.930 3.930 3.987 -0.057 25439 2709 1 4 . 1 1 93 93 ALA CA C 93 54.839 54.839 55.394 -0.555 25439 2710 1 4 . 1 1 93 93 ALA CB C 93 18.125 18.125 18.049 0.076 25439 2711 1 4 . 1 1 93 93 ALA H H 93 7.437 7.437 8.261 -0.824 25439 2712 1 4 . 1 1 94 94 LYS N N 94 116.036 116.036 118.548 -2.512 25439 2713 1 4 . 1 1 94 94 LYS HA H 94 3.803 3.803 3.477 0.326 25439 2714 1 4 . 1 1 94 94 LYS CA C 94 56.945 56.945 59.050 -2.105 25439 2715 1 4 . 1 1 94 94 LYS CB C 94 31.047 31.047 31.665 -0.618 25439 2716 1 4 . 1 1 94 94 LYS H H 94 7.012 7.012 7.498 -0.486 25439 2717 1 4 . 1 1 95 95 TRP N N 95 118.700 118.700 116.718 1.982 25439 2718 1 4 . 1 1 95 95 TRP HA H 95 4.814 4.814 4.501 0.313 25439 2719 1 4 . 1 1 95 95 TRP CA C 95 57.136 57.136 58.907 -1.771 25439 2720 1 4 . 1 1 95 95 TRP CB C 95 28.171 28.171 29.145 -0.974 25439 2721 1 4 . 1 1 95 95 TRP H H 95 7.611 7.611 7.453 0.158 25439 2722 1 4 . 1 1 96 96 ARG N N 96 113.031 113.031 116.504 -3.473 25439 2723 1 4 . 1 1 96 96 ARG HA H 96 4.233 4.233 4.220 0.013 25439 2724 1 4 . 1 1 96 96 ARG CA C 96 56.234 56.234 58.218 -1.984 25439 2725 1 4 . 1 1 96 96 ARG CB C 96 30.245 30.245 30.584 -0.339 25439 2726 1 4 . 1 1 96 96 ARG H H 96 7.066 7.066 7.532 -0.466 25439 2727 1 4 . 1 1 97 97 LYS N N 97 123.252 123.252 118.697 4.555 25439 2728 1 4 . 1 1 97 97 LYS HA H 97 4.634 4.634 4.282 0.352 25439 2729 1 4 . 1 1 97 97 LYS CA C 97 54.937 54.937 57.146 -2.209 25439 2730 1 4 . 1 1 97 97 LYS CB C 97 34.166 34.166 32.756 1.410 25439 2731 1 4 . 1 1 97 97 LYS H H 97 8.467 8.467 8.094 0.373 25439 2732 1 4 . 1 1 98 98 THR N N 98 119.993 119.993 112.940 7.053 25439 2733 1 4 . 1 1 98 98 THR HA H 98 4.224 4.224 4.478 -0.254 25439 2734 1 4 . 1 1 98 98 THR CA C 98 64.670 64.670 61.833 2.837 25439 2735 1 4 . 1 1 98 98 THR CB C 98 69.200 69.200 68.962 0.238 25439 2736 1 4 . 1 1 98 98 THR H H 98 8.329 8.329 8.262 0.067 25439 2737 1 4 . 1 1 99 99 GLY N N 99 116.645 116.645 113.697 2.948 25439 2738 1 4 . 1 1 99 99 GLY CA C 99 45.047 45.047 45.048 -0.001 25439 2739 1 4 . 1 1 99 99 GLY H H 99 9.273 9.273 8.858 0.415 25439 2740 1 4 . 1 1 100 100 TYR N N 100 120.784 120.784 119.874 0.910 25439 2741 1 4 . 1 1 100 100 TYR HA H 100 4.704 4.704 4.754 -0.050 25439 2742 1 4 . 1 1 100 100 TYR CA C 100 57.697 57.697 56.067 1.630 25439 2743 1 4 . 1 1 100 100 TYR CB C 100 39.413 39.413 37.543 1.870 25439 2744 1 4 . 1 1 100 100 TYR H H 100 8.457 8.457 8.207 0.250 25439 2745 1 4 . 1 1 101 101 GLU N N 101 119.482 119.482 120.748 -1.266 25439 2746 1 4 . 1 1 101 101 GLU HA H 101 4.601 4.601 4.199 0.402 25439 2747 1 4 . 1 1 101 101 GLU CA C 101 61.207 61.207 58.701 2.506 25439 2748 1 4 . 1 1 101 101 GLU CB C 101 29.648 29.648 29.864 -0.216 25439 2749 1 4 . 1 1 101 101 GLU H H 101 9.836 9.836 8.521 1.315 25439 2750 1 4 . 1 1 102 102 LYS N N 102 115.179 115.179 119.777 -4.598 25439 2751 1 4 . 1 1 102 102 LYS HA H 102 4.295 4.295 4.587 -0.292 25439 2752 1 4 . 1 1 102 102 LYS CA C 102 54.207 54.207 55.347 -1.140 25439 2753 1 4 . 1 1 102 102 LYS CB C 102 32.489 32.489 32.964 -0.475 25439 2754 1 4 . 1 1 102 102 LYS H H 102 8.291 8.291 7.920 0.371 25439 2755 1 4 . 1 1 103 103 LEU N N 103 119.637 119.637 125.273 -5.636 25439 2756 1 4 . 1 1 103 103 LEU HA H 103 4.385 4.385 4.825 -0.440 25439 2757 1 4 . 1 1 103 103 LEU CA C 103 56.549 56.549 54.788 1.761 25439 2758 1 4 . 1 1 103 103 LEU CB C 103 43.864 43.864 44.497 -0.633 25439 2759 1 4 . 1 1 103 103 LEU H H 103 7.642 7.642 8.563 -0.921 25439 2760 1 4 . 1 1 104 104 CYS N N 104 129.651 129.651 121.578 8.073 25439 2761 1 4 . 1 1 104 104 CYS HA H 104 4.498 4.498 5.175 -0.677 25439 2762 1 4 . 1 1 104 104 CYS CA C 104 58.076 58.076 58.449 -0.373 25439 2763 1 4 . 1 1 104 104 CYS CB C 104 32.301 32.301 28.262 4.039 25439 2764 1 4 . 1 1 104 104 CYS H H 104 8.638 8.638 8.994 -0.356 25439 2765 1 4 . 1 1 105 105 CYS N N 105 120.206 120.206 117.918 2.288 25439 2766 1 4 . 1 1 105 105 CYS HA H 105 4.806 4.806 4.782 0.024 25439 2767 1 4 . 1 1 105 105 CYS CA C 105 58.271 58.271 57.150 1.121 25439 2768 1 4 . 1 1 105 105 CYS CB C 105 32.062 32.062 30.214 1.848 25439 2769 1 4 . 1 1 105 105 CYS H H 105 8.158 8.158 8.027 0.131 25439 2770 1 4 . 1 1 106 106 LEU N N 106 115.513 115.513 121.016 -5.503 25439 2771 1 4 . 1 1 106 106 LEU HA H 106 4.054 4.054 4.271 -0.217 25439 2772 1 4 . 1 1 106 106 LEU CA C 106 56.110 56.110 56.953 -0.843 25439 2773 1 4 . 1 1 106 106 LEU CB C 106 41.227 41.227 42.326 -1.099 25439 2774 1 4 . 1 1 106 106 LEU H H 106 8.466 8.466 8.368 0.098 25439 2775 1 4 . 1 1 107 107 ARG N N 107 122.711 122.711 119.343 3.368 25439 2776 1 4 . 1 1 107 107 ARG HA H 107 3.993 3.993 4.301 -0.308 25439 2777 1 4 . 1 1 107 107 ARG CA C 107 58.311 58.311 56.206 2.106 25439 2778 1 4 . 1 1 107 107 ARG CB C 107 28.965 28.965 29.331 -0.366 25439 2779 1 4 . 1 1 107 107 ARG H H 107 8.131 8.131 8.075 0.056 25439 2780 1 4 . 1 1 108 108 CYS N N 108 119.055 119.055 119.086 -0.031 25439 2781 1 4 . 1 1 108 108 CYS HA H 108 4.101 4.101 4.722 -0.621 25439 2782 1 4 . 1 1 108 108 CYS CA C 108 63.936 63.936 57.819 6.117 25439 2783 1 4 . 1 1 108 108 CYS CB C 108 30.934 30.934 27.114 3.820 25439 2784 1 4 . 1 1 108 108 CYS H H 108 8.010 8.010 8.126 -0.116 25439 2785 1 4 . 1 1 109 109 ILE N N 109 107.315 107.315 113.871 -6.556 25439 2786 1 4 . 1 1 109 109 ILE HA H 109 4.684 4.684 4.459 0.225 25439 2787 1 4 . 1 1 109 109 ILE CA C 109 60.483 60.483 61.125 -0.642 25439 2788 1 4 . 1 1 109 109 ILE CB C 109 38.320 38.320 38.923 -0.603 25439 2789 1 4 . 1 1 109 109 ILE H H 109 7.105 7.105 7.519 -0.414 25439 2790 1 4 . 1 1 110 110 GLN N N 110 122.468 122.468 120.786 1.682 25439 2791 1 4 . 1 1 110 110 GLN HA H 110 4.268 4.268 4.711 -0.443 25439 2792 1 4 . 1 1 110 110 GLN CA C 110 55.981 55.981 55.022 0.959 25439 2793 1 4 . 1 1 110 110 GLN CB C 110 29.656 29.656 31.589 -1.933 25439 2794 1 4 . 1 1 110 110 GLN H H 110 7.156 7.156 8.119 -0.963 25439 2795 1 4 . 1 1 111 111 LYS N N 111 124.650 124.650 120.968 3.682 25439 2796 1 4 . 1 1 111 111 LYS HA H 111 4.246 4.246 5.038 -0.792 25439 2797 1 4 . 1 1 111 111 LYS CA C 111 56.546 56.546 54.777 1.769 25439 2798 1 4 . 1 1 111 111 LYS CB C 111 32.846 32.846 34.816 -1.970 25439 2799 1 4 . 1 1 111 111 LYS H H 111 8.522 8.522 8.401 0.121 25439 2800 1 4 . 1 1 112 112 ASN N N 112 120.972 120.972 117.094 3.878 25439 2801 1 4 . 1 1 112 112 ASN HA H 112 4.778 4.778 4.911 -0.133 25439 2802 1 4 . 1 1 112 112 ASN CA C 112 52.902 52.902 53.122 -0.220 25439 2803 1 4 . 1 1 112 112 ASN CB C 112 39.328 39.328 41.701 -2.373 25439 2804 1 4 . 1 1 112 112 ASN H H 112 8.360 8.360 8.433 -0.073 25439 2805 1 4 . 1 1 113 113 GLU N N 113 121.710 121.710 120.920 0.790 25439 2806 1 4 . 1 1 113 113 GLU HA H 113 4.248 4.248 4.564 -0.316 25439 2807 1 4 . 1 1 113 113 GLU CA C 113 58.611 58.611 56.196 2.415 25439 2808 1 4 . 1 1 113 113 GLU CB C 113 29.590 29.590 30.609 -1.019 25439 2809 1 4 . 1 1 113 113 GLU H H 113 9.023 9.023 8.655 0.368 25439 2810 1 4 . 1 1 114 114 THR N N 114 112.186 112.186 117.238 -5.052 25439 2811 1 4 . 1 1 114 114 THR HA H 114 4.321 4.321 4.058 0.263 25439 2812 1 4 . 1 1 114 114 THR CA C 114 63.161 63.161 62.783 0.378 25439 2813 1 4 . 1 1 114 114 THR CB C 114 69.481 69.481 68.350 1.131 25439 2814 1 4 . 1 1 114 114 THR H H 114 8.112 8.112 8.582 -0.470 25439 2815 1 4 . 1 1 115 115 ASN N N 115 119.112 119.112 118.193 0.919 25439 2816 1 4 . 1 1 115 115 ASN HA H 115 4.829 4.829 4.875 -0.046 25439 2817 1 4 . 1 1 115 115 ASN CA C 115 53.110 53.110 52.316 0.794 25439 2818 1 4 . 1 1 115 115 ASN CB C 115 38.659 38.659 41.221 -2.562 25439 2819 1 4 . 1 1 115 115 ASN H H 115 8.047 8.047 8.005 0.042 25439 2820 1 4 . 1 1 116 116 ASN N N 116 117.175 117.175 119.462 -2.287 25439 2821 1 4 . 1 1 116 116 ASN HA H 116 4.615 4.615 4.933 -0.318 25439 2822 1 4 . 1 1 116 116 ASN CA C 116 53.965 53.965 52.872 1.093 25439 2823 1 4 . 1 1 116 116 ASN CB C 116 38.173 38.173 38.559 -0.386 25439 2824 1 4 . 1 1 116 116 ASN H H 116 8.364 8.364 8.517 -0.153 25439 2825 1 4 . 1 1 117 117 GLY N N 117 107.294 107.294 108.685 -1.391 25439 2826 1 4 . 1 1 117 117 GLY CA C 117 45.882 45.882 44.717 1.165 25439 2827 1 4 . 1 1 117 117 GLY H H 117 8.264 8.264 8.177 0.087 25439 2828 1 4 . 1 1 118 118 SER N N 118 115.475 115.475 115.862 -0.387 25439 2829 1 4 . 1 1 118 118 SER HA H 118 4.586 4.586 4.734 -0.148 25439 2830 1 4 . 1 1 118 118 SER CA C 118 57.974 57.974 58.091 -0.117 25439 2831 1 4 . 1 1 118 118 SER CB C 118 64.479 64.479 65.041 -0.562 25439 2832 1 4 . 1 1 118 118 SER H H 118 7.905 7.905 8.558 -0.653 25439 2833 1 4 . 1 1 119 119 THR N N 119 111.360 111.360 116.313 -4.953 25439 2834 1 4 . 1 1 119 119 THR HA H 119 4.450 4.450 4.732 -0.282 25439 2835 1 4 . 1 1 119 119 THR CA C 119 61.215 61.215 60.744 0.471 25439 2836 1 4 . 1 1 119 119 THR CB C 119 70.569 70.569 71.309 -0.740 25439 2837 1 4 . 1 1 119 119 THR H H 119 8.044 8.044 8.034 0.010 25439 2838 1 4 . 1 1 120 120 CYS N N 120 122.708 122.708 121.420 1.288 25439 2839 1 4 . 1 1 120 120 CYS HA H 120 4.255 4.255 4.694 -0.439 25439 2840 1 4 . 1 1 120 120 CYS CA C 120 61.469 61.469 57.974 3.495 25439 2841 1 4 . 1 1 120 120 CYS CB C 120 30.892 30.892 28.947 1.945 25439 2842 1 4 . 1 1 120 120 CYS H H 120 8.045 8.045 8.562 -0.517 25439 2843 1 4 . 1 1 121 121 ILE N N 121 132.463 132.463 123.886 8.577 25439 2844 1 4 . 1 1 121 121 ILE HA H 121 4.025 4.025 3.806 0.219 25439 2845 1 4 . 1 1 121 121 ILE CA C 121 63.353 63.353 63.197 0.156 25439 2846 1 4 . 1 1 121 121 ILE CB C 121 38.222 38.222 37.559 0.663 25439 2847 1 4 . 1 1 121 121 ILE H H 121 8.237 8.237 8.392 -0.155 25439 2848 1 4 . 1 1 122 122 CYS N N 122 123.931 123.931 117.778 6.153 25439 2849 1 4 . 1 1 122 122 CYS HA H 122 4.233 4.233 4.200 0.033 25439 2850 1 4 . 1 1 122 122 CYS CA C 122 60.230 60.230 60.502 -0.272 25439 2851 1 4 . 1 1 122 122 CYS CB C 122 30.602 30.602 26.006 4.596 25439 2852 1 4 . 1 1 122 122 CYS H H 122 9.355 9.355 7.494 1.861 25439 2853 1 4 . 1 1 123 123 ARG N N 123 119.561 119.561 121.486 -1.925 25439 2854 1 4 . 1 1 123 123 ARG HA H 123 4.150 4.150 4.286 -0.136 25439 2855 1 4 . 1 1 123 123 ARG CA C 123 53.177 53.177 58.283 -5.106 25439 2856 1 4 . 1 1 123 123 ARG CB C 123 27.961 27.961 30.608 -2.647 25439 2857 1 4 . 1 1 123 123 ARG H H 123 7.677 7.677 7.614 0.063 25439 2858 1 4 . 1 1 124 124 VAL N N 124 122.794 122.794 120.524 2.270 25439 2859 1 4 . 1 1 124 124 VAL HA H 124 4.081 4.081 4.073 0.008 25439 2860 1 4 . 1 1 124 124 VAL CA C 124 60.647 60.647 60.894 -0.247 25439 2861 1 4 . 1 1 124 124 VAL CB C 124 32.857 32.857 31.930 0.927 25439 2862 1 4 . 1 1 124 124 VAL H H 124 7.578 7.578 7.388 0.190 25439 2863 1 4 . 1 1 125 125 PRO HA H 125 4.263 4.263 4.553 -0.290 25439 2864 1 4 . 1 1 125 125 PRO CA C 125 63.268 63.268 62.355 0.913 25439 2865 1 4 . 1 1 125 125 PRO CB C 125 32.379 32.379 32.773 -0.394 25439 2866 1 4 . 1 1 126 126 ARG N N 126 128.350 128.350 120.545 7.805 25439 2867 1 4 . 1 1 126 126 ARG HA H 126 3.912 3.912 4.037 -0.125 25439 2868 1 4 . 1 1 126 126 ARG CA C 126 59.653 59.653 59.201 0.452 25439 2869 1 4 . 1 1 126 126 ARG CB C 126 29.339 29.339 29.531 -0.192 25439 2870 1 4 . 1 1 126 126 ARG H H 126 9.534 9.534 8.714 0.820 25439 2871 1 4 . 1 1 127 127 ALA N N 127 119.169 119.169 122.009 -2.840 25439 2872 1 4 . 1 1 127 127 ALA HA H 127 4.192 4.192 4.138 0.054 25439 2873 1 4 . 1 1 127 127 ALA CA C 127 55.227 55.227 55.014 0.213 25439 2874 1 4 . 1 1 127 127 ALA CB C 127 18.363 18.363 18.062 0.301 25439 2875 1 4 . 1 1 127 127 ALA H H 127 9.263 9.263 8.446 0.817 25439 2876 1 4 . 1 1 128 128 GLN N N 128 117.345 117.345 118.287 -0.942 25439 2877 1 4 . 1 1 128 128 GLN HA H 128 4.209 4.209 4.161 0.048 25439 2878 1 4 . 1 1 128 128 GLN CA C 128 58.506 58.506 58.568 -0.062 25439 2879 1 4 . 1 1 128 128 GLN CB C 128 28.220 28.220 28.167 0.053 25439 2880 1 4 . 1 1 128 128 GLN H H 128 7.448 7.448 8.385 -0.937 25439 2881 1 4 . 1 1 129 129 LEU N N 129 120.561 120.561 120.396 0.165 25439 2882 1 4 . 1 1 129 129 LEU HA H 129 4.088 4.088 4.076 0.012 25439 2883 1 4 . 1 1 129 129 LEU CA C 129 57.952 57.952 58.052 -0.100 25439 2884 1 4 . 1 1 129 129 LEU CB C 129 41.817 41.817 41.811 0.006 25439 2885 1 4 . 1 1 129 129 LEU H H 129 7.622 7.622 7.508 0.114 25439 2886 1 4 . 1 1 130 130 GLU N N 130 119.122 119.122 118.435 0.687 25439 2887 1 4 . 1 1 130 130 GLU HA H 130 3.956 3.956 3.946 0.010 25439 2888 1 4 . 1 1 130 130 GLU CA C 130 59.353 59.353 59.907 -0.554 25439 2889 1 4 . 1 1 130 130 GLU CB C 130 29.337 29.337 29.328 0.009 25439 2890 1 4 . 1 1 130 130 GLU H H 130 8.656 8.656 8.619 0.037 25439 2891 1 4 . 1 1 131 131 GLU N N 131 121.469 121.469 119.084 2.385 25439 2892 1 4 . 1 1 131 131 GLU HA H 131 4.163 4.163 4.029 0.134 25439 2893 1 4 . 1 1 131 131 GLU CA C 131 59.288 59.288 59.519 -0.231 25439 2894 1 4 . 1 1 131 131 GLU CB C 131 29.422 29.422 29.345 0.077 25439 2895 1 4 . 1 1 131 131 GLU H H 131 7.922 7.922 7.877 0.045 25439 2896 1 4 . 1 1 132 132 GLU N N 132 119.241 119.241 119.252 -0.011 25439 2897 1 4 . 1 1 132 132 GLU HA H 132 3.998 3.998 3.993 0.005 25439 2898 1 4 . 1 1 132 132 GLU CA C 132 59.327 59.327 59.348 -0.021 25439 2899 1 4 . 1 1 132 132 GLU CB C 132 29.421 29.421 29.265 0.156 25439 2900 1 4 . 1 1 132 132 GLU H H 132 8.099 8.099 7.581 0.518 25439 2901 1 4 . 1 1 133 133 ALA N N 133 121.302 121.302 121.497 -0.195 25439 2902 1 4 . 1 1 133 133 ALA HA H 133 4.053 4.053 4.053 0.000 25439 2903 1 4 . 1 1 133 133 ALA CA C 133 54.973 54.973 54.985 -0.012 25439 2904 1 4 . 1 1 133 133 ALA CB C 133 18.154 18.154 18.271 -0.117 25439 2905 1 4 . 1 1 133 133 ALA H H 133 7.795 7.795 7.542 0.253 25439 2906 1 4 . 1 1 134 134 ARG N N 134 118.757 118.757 118.285 0.472 25439 2907 1 4 . 1 1 134 134 ARG HA H 134 4.143 4.143 4.011 0.132 25439 2908 1 4 . 1 1 134 134 ARG CA C 134 59.438 59.438 59.422 0.016 25439 2909 1 4 . 1 1 134 134 ARG CB C 134 30.148 30.148 30.101 0.047 25439 2910 1 4 . 1 1 134 134 ARG H H 134 8.145 8.145 7.830 0.315 25439 2911 1 4 . 1 1 135 135 LYS N N 135 119.496 119.496 119.577 -0.081 25439 2912 1 4 . 1 1 135 135 LYS HA H 135 4.073 4.073 4.136 -0.063 25439 2913 1 4 . 1 1 135 135 LYS CA C 135 59.327 59.327 58.769 0.558 25439 2914 1 4 . 1 1 135 135 LYS CB C 135 32.539 32.539 32.439 0.100 25439 2915 1 4 . 1 1 135 135 LYS H H 135 8.036 8.036 7.632 0.404 25439 2916 1 4 . 1 1 136 136 LYS N N 136 116.645 116.645 117.437 -0.792 25439 2917 1 4 . 1 1 136 136 LYS HA H 136 4.362 4.362 4.459 -0.097 25439 2918 1 4 . 1 1 136 136 LYS CA C 136 56.575 56.575 55.240 1.335 25439 2919 1 4 . 1 1 136 136 LYS CB C 136 33.629 33.629 32.484 1.145 25439 2920 1 4 . 1 1 136 136 LYS H H 136 7.682 7.682 7.429 0.253 25439 2921 1 4 . 1 1 137 137 GLY N N 137 109.349 109.349 109.176 0.173 25439 2922 1 4 . 1 1 137 137 GLY CA C 137 46.358 46.358 46.291 0.067 25439 2923 1 4 . 1 1 137 137 GLY H H 137 8.064 8.064 7.601 0.463 25439 2924 1 4 . 1 1 138 138 THR N N 138 112.870 112.870 113.697 -0.827 25439 2925 1 4 . 1 1 138 138 THR HA H 138 4.735 4.735 4.620 0.115 25439 2926 1 4 . 1 1 138 138 THR CA C 138 59.308 59.308 60.483 -1.175 25439 2927 1 4 . 1 1 138 138 THR CB C 138 70.755 70.755 70.927 -0.172 25439 2928 1 4 . 1 1 138 138 THR H H 138 8.111 8.111 8.062 0.049 25439 2929 1 4 . 1 1 139 139 GLN N N 139 118.177 118.177 120.797 -2.620 25439 2930 1 4 . 1 1 139 139 GLN HA H 139 4.609 4.609 4.559 0.050 25439 2931 1 4 . 1 1 139 139 GLN CA C 139 54.435 54.435 55.141 -0.706 25439 2932 1 4 . 1 1 139 139 GLN CB C 139 30.777 30.777 31.482 -0.705 25439 2933 1 4 . 1 1 139 139 GLN H H 139 8.227 8.227 8.259 -0.032 25439 2934 1 4 . 1 1 140 140 VAL N N 140 123.601 123.601 120.867 2.734 25439 2935 1 4 . 1 1 140 140 VAL HA H 140 3.790 3.790 4.557 -0.767 25439 2936 1 4 . 1 1 140 140 VAL CA C 140 63.934 63.934 60.697 3.237 25439 2937 1 4 . 1 1 140 140 VAL CB C 140 32.154 32.154 35.041 -2.887 25439 2938 1 4 . 1 1 140 140 VAL H H 140 8.839 8.839 8.702 0.137 25439 2939 1 4 . 1 1 141 141 SER HA H 141 4.524 4.524 4.655 -0.131 25439 2940 1 4 . 1 1 141 141 SER CA C 141 57.841 57.841 58.523 -0.682 25439 2941 1 4 . 1 1 141 141 SER CB C 141 64.174 64.174 63.666 0.508 25439 2942 1 4 . 1 1 142 142 PHE N N 142 123.726 123.726 125.830 -2.104 25439 2943 1 4 . 1 1 142 142 PHE HA H 142 4.458 4.458 4.808 -0.350 25439 2944 1 4 . 1 1 142 142 PHE CA C 142 58.673 58.673 57.968 0.705 25439 2945 1 4 . 1 1 142 142 PHE CB C 142 40.055 40.055 40.846 -0.791 25439 2946 1 4 . 1 1 142 142 PHE H H 142 7.534 7.534 8.241 -0.707 25439 2947 1 4 . 1 1 143 143 HIS N N 143 126.548 126.548 118.000 8.548 25439 2948 1 4 . 1 1 143 143 HIS HA H 143 4.336 4.336 4.310 0.026 25439 2949 1 4 . 1 1 143 143 HIS CA C 143 56.837 56.837 55.546 1.291 25439 2950 1 4 . 1 1 143 143 HIS CB C 143 31.949 31.949 31.823 0.126 25439 2951 1 4 . 1 1 143 143 HIS H H 143 8.308 8.308 7.181 1.127 25439 2952 1 4 . 1 1 144 144 GLN N N 144 115.094 115.094 115.746 -0.652 25439 2953 1 4 . 1 1 144 144 GLN HA H 144 4.433 4.433 4.609 -0.176 25439 2954 1 4 . 1 1 144 144 GLN CA C 144 54.210 54.210 53.296 0.914 25439 2955 1 4 . 1 1 144 144 GLN CB C 144 32.925 32.925 31.859 1.066 25439 2956 1 4 . 1 1 144 144 GLN H H 144 7.203 7.203 7.023 0.180 25439 2957 1 4 . 1 1 145 145 CYS N N 145 123.088 123.088 118.004 5.084 25439 2958 1 4 . 1 1 145 145 CYS HA H 145 4.961 4.961 5.128 -0.167 25439 2959 1 4 . 1 1 145 145 CYS CA C 145 57.978 57.978 57.002 0.977 25439 2960 1 4 . 1 1 145 145 CYS CB C 145 33.555 33.555 29.916 3.639 25439 2961 1 4 . 1 1 145 145 CYS H H 145 8.668 8.668 8.245 0.423 25439 2962 1 4 . 1 1 146 146 VAL N N 146 113.265 113.265 117.780 -4.515 25439 2963 1 4 . 1 1 146 146 VAL HA H 146 4.238 4.238 4.189 0.049 25439 2964 1 4 . 1 1 146 146 VAL CA C 146 64.001 64.001 65.198 -1.197 25439 2965 1 4 . 1 1 146 146 VAL CB C 146 32.157 32.157 32.073 0.084 25439 2966 1 4 . 1 1 146 146 VAL H H 146 8.198 8.198 8.317 -0.119 25439 2967 1 4 . 1 1 147 147 HIS N N 147 120.556 120.556 118.786 1.770 25439 2968 1 4 . 1 1 147 147 HIS HA H 147 4.604 4.604 4.341 0.263 25439 2969 1 4 . 1 1 147 147 HIS CA C 147 58.708 58.708 58.007 0.701 25439 2970 1 4 . 1 1 147 147 HIS CB C 147 32.204 32.204 29.270 2.934 25439 2971 1 4 . 1 1 147 147 HIS H H 147 7.151 7.151 8.333 -1.182 25439 2972 1 4 . 1 1 148 148 CYS N N 148 112.110 112.110 112.289 -0.179 25439 2973 1 4 . 1 1 148 148 CYS HA H 148 4.889 4.889 4.759 0.130 25439 2974 1 4 . 1 1 148 148 CYS CA C 148 57.952 57.952 55.805 2.147 25439 2975 1 4 . 1 1 148 148 CYS CB C 148 32.956 32.956 30.191 2.765 25439 2976 1 4 . 1 1 148 148 CYS H H 148 7.413 7.413 7.241 0.172 25439 2977 1 4 . 1 1 149 149 GLY N N 149 112.797 112.797 108.226 4.571 25439 2978 1 4 . 1 1 149 149 GLY CA C 149 45.327 45.327 44.368 0.959 25439 2979 1 4 . 1 1 149 149 GLY H H 149 6.949 6.949 8.303 -1.354 25439 2980 1 4 . 1 1 150 150 CYS N N 150 127.277 127.277 119.818 7.459 25439 2981 1 4 . 1 1 150 150 CYS HA H 150 3.932 3.932 4.501 -0.569 25439 2982 1 4 . 1 1 150 150 CYS CA C 150 61.362 61.362 57.142 4.220 25439 2983 1 4 . 1 1 150 150 CYS CB C 150 30.632 30.632 29.875 0.757 25439 2984 1 4 . 1 1 150 150 CYS H H 150 8.240 8.240 7.063 1.177 25439 2985 1 4 . 1 1 151 151 ARG N N 151 125.476 125.476 127.576 -2.100 25439 2986 1 4 . 1 1 151 151 ARG HA H 151 4.775 4.775 4.137 0.638 25439 2987 1 4 . 1 1 151 151 ARG CA C 151 56.164 56.164 55.363 0.801 25439 2988 1 4 . 1 1 151 151 ARG CB C 151 30.354 30.354 29.289 1.065 25439 2989 1 4 . 1 1 151 151 ARG H H 151 8.492 8.492 8.614 -0.122 25439 2990 1 4 . 1 1 152 152 GLY N N 152 117.275 117.275 108.189 9.086 25439 2991 1 4 . 1 1 152 152 GLY CA C 152 45.523 45.523 45.460 0.063 25439 2992 1 4 . 1 1 152 152 GLY H H 152 9.812 9.812 7.546 2.266 25439 2993 1 4 . 1 1 153 153 CYS N N 153 126.187 126.187 118.666 7.521 25439 2994 1 4 . 1 1 153 153 CYS HA H 153 4.842 4.842 4.804 0.038 25439 2995 1 4 . 1 1 153 153 CYS CA C 153 57.130 57.130 55.735 1.395 25439 2996 1 4 . 1 1 153 153 CYS CB C 153 31.368 31.368 28.291 3.077 25439 2997 1 4 . 1 1 153 153 CYS H H 153 8.930 8.930 8.088 0.842 25439 2998 1 4 . 1 1 154 154 ALA N N 154 125.869 125.869 126.074 -0.205 25439 2999 1 4 . 1 1 154 154 ALA HA H 154 4.159 4.159 5.010 -0.851 25439 3000 1 4 . 1 1 154 154 ALA CA C 154 53.187 53.187 51.424 1.763 25439 3001 1 4 . 1 1 154 154 ALA CB C 154 18.937 18.937 21.046 -2.109 25439 3002 1 4 . 1 1 154 154 ALA H H 154 8.616 8.616 8.437 0.180 25439 3003 1 4 . 1 1 155 155 SER N N 155 116.724 116.724 119.405 -2.681 25439 3004 1 4 . 1 1 155 155 SER HA H 155 4.283 4.283 4.369 -0.086 25439 3005 1 4 . 1 1 155 155 SER CA C 155 60.136 60.136 60.299 -0.163 25439 3006 1 4 . 1 1 155 155 SER CB C 155 63.575 63.575 63.627 -0.052 25439 3007 1 4 . 1 1 155 155 SER H H 155 9.358 9.358 8.619 0.739 25439 3008 1 4 . 1 1 156 156 THR N N 156 111.893 111.893 116.006 -4.113 25439 3009 1 4 . 1 1 156 156 THR HA H 156 4.358 4.358 4.092 0.266 25439 3010 1 4 . 1 1 156 156 THR CA C 156 61.264 61.264 65.066 -3.802 25439 3011 1 4 . 1 1 156 156 THR CB C 156 69.999 69.999 69.014 0.985 25439 3012 1 4 . 1 1 156 156 THR H H 156 7.638 7.638 8.192 -0.554 25439 3013 1 5 . 1 1 0 0 GLY CA C 0 43.750 43.750 45.016 -1.266 25439 3014 1 5 . 1 1 1 1 SER N N 1 117.201 117.201 117.589 -0.388 25439 3015 1 5 . 1 1 1 1 SER HA H 1 4.809 4.809 4.912 -0.103 25439 3016 1 5 . 1 1 1 1 SER CA C 1 56.525 56.525 55.864 0.661 25439 3017 1 5 . 1 1 1 1 SER CB C 1 63.385 63.385 64.536 -1.151 25439 3018 1 5 . 1 1 1 1 SER H H 1 8.381 8.381 7.809 0.572 25439 3019 1 5 . 1 1 2 2 PRO HA H 2 4.468 4.468 4.510 -0.042 25439 3020 1 5 . 1 1 2 2 PRO CA C 2 63.292 63.292 62.921 0.371 25439 3021 1 5 . 1 1 2 2 PRO CB C 2 32.174 32.174 32.235 -0.061 25439 3022 1 5 . 1 1 3 3 ARG N N 3 121.649 121.649 121.309 0.340 25439 3023 1 5 . 1 1 3 3 ARG HA H 3 4.324 4.324 4.726 -0.402 25439 3024 1 5 . 1 1 3 3 ARG CA C 3 56.226 56.226 55.581 0.645 25439 3025 1 5 . 1 1 3 3 ARG CB C 3 30.732 30.732 32.304 -1.572 25439 3026 1 5 . 1 1 3 3 ARG H H 3 8.428 8.428 8.426 0.002 25439 3027 1 5 . 1 1 4 4 ILE N N 4 122.500 122.500 119.214 3.286 25439 3028 1 5 . 1 1 4 4 ILE HA H 4 4.181 4.181 4.603 -0.422 25439 3029 1 5 . 1 1 4 4 ILE CA C 4 60.943 60.943 60.957 -0.014 25439 3030 1 5 . 1 1 4 4 ILE CB C 4 38.751 38.751 39.923 -1.172 25439 3031 1 5 . 1 1 4 4 ILE H H 4 8.165 8.165 8.409 -0.244 25439 3032 1 5 . 1 1 5 5 LYS N N 5 126.237 126.237 124.045 2.192 25439 3033 1 5 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.785 -0.383 25439 3034 1 5 . 1 1 5 5 LYS CA C 5 56.422 56.422 55.627 0.795 25439 3035 1 5 . 1 1 5 5 LYS CB C 5 33.130 33.130 33.557 -0.427 25439 3036 1 5 . 1 1 5 5 LYS H H 5 8.500 8.500 8.429 0.071 25439 3037 1 5 . 1 1 6 6 THR N N 6 116.495 116.495 112.693 3.802 25439 3038 1 5 . 1 1 6 6 THR HA H 6 4.323 4.323 4.409 -0.086 25439 3039 1 5 . 1 1 6 6 THR CA C 6 61.918 61.918 61.885 0.033 25439 3040 1 5 . 1 1 6 6 THR CB C 6 69.963 69.963 69.792 0.171 25439 3041 1 5 . 1 1 6 6 THR H H 6 8.194 8.194 8.173 0.021 25439 3042 1 5 . 1 1 7 7 ARG N N 7 124.128 124.128 121.594 2.534 25439 3043 1 5 . 1 1 7 7 ARG HA H 7 4.396 4.396 4.588 -0.192 25439 3044 1 5 . 1 1 7 7 ARG CA C 7 56.128 56.128 56.026 0.102 25439 3045 1 5 . 1 1 7 7 ARG CB C 7 30.953 30.953 31.956 -1.003 25439 3046 1 5 . 1 1 7 7 ARG H H 7 8.458 8.458 8.064 0.394 25439 3047 1 5 . 1 1 8 8 ARG N N 8 123.384 123.384 123.866 -0.482 25439 3048 1 5 . 1 1 8 8 ARG HA H 8 4.424 4.424 4.487 -0.063 25439 3049 1 5 . 1 1 8 8 ARG CA C 8 56.011 56.011 56.596 -0.585 25439 3050 1 5 . 1 1 8 8 ARG CB C 8 31.058 31.058 31.116 -0.057 25439 3051 1 5 . 1 1 8 8 ARG H H 8 8.526 8.526 8.552 -0.026 25439 3052 1 5 . 1 1 9 9 SER N N 9 118.446 118.446 119.047 -0.601 25439 3053 1 5 . 1 1 9 9 SER HA H 9 4.473 4.473 4.605 -0.132 25439 3054 1 5 . 1 1 9 9 SER CA C 9 58.568 58.568 58.384 0.184 25439 3055 1 5 . 1 1 9 9 SER CB C 9 63.986 63.986 63.343 0.643 25439 3056 1 5 . 1 1 9 9 SER H H 9 8.450 8.450 8.638 -0.188 25439 3057 1 5 . 1 1 10 10 LYS N N 10 124.117 124.117 123.706 0.411 25439 3058 1 5 . 1 1 10 10 LYS HA H 10 4.673 4.673 4.239 0.434 25439 3059 1 5 . 1 1 10 10 LYS CA C 10 54.412 54.412 56.429 -2.017 25439 3060 1 5 . 1 1 10 10 LYS CB C 10 32.693 32.693 31.510 1.183 25439 3061 1 5 . 1 1 10 10 LYS H H 10 8.426 8.426 8.788 -0.362 25439 3062 1 5 . 1 1 11 11 PRO HA H 11 4.360 4.360 4.424 -0.064 25439 3063 1 5 . 1 1 11 11 PRO CA C 11 62.861 62.861 62.646 0.215 25439 3064 1 5 . 1 1 11 11 PRO CB C 11 32.106 32.106 32.634 -0.528 25439 3065 1 5 . 1 1 12 12 ALA N N 12 124.420 124.420 122.975 1.445 25439 3066 1 5 . 1 1 12 12 ALA HA H 12 2.889 2.889 3.403 -0.514 25439 3067 1 5 . 1 1 12 12 ALA CA C 12 49.735 49.735 48.525 1.210 25439 3068 1 5 . 1 1 12 12 ALA CB C 12 18.066 18.066 17.468 0.598 25439 3069 1 5 . 1 1 12 12 ALA H H 12 7.890 7.890 7.759 0.131 25439 3070 1 5 . 1 1 13 13 PRO HA H 13 4.207 4.207 4.435 -0.228 25439 3071 1 5 . 1 1 13 13 PRO CA C 13 62.111 62.111 61.882 0.229 25439 3072 1 5 . 1 1 13 13 PRO CB C 13 32.582 32.582 32.443 0.139 25439 3073 1 5 . 1 1 14 14 ASP N N 14 119.535 119.535 120.171 -0.636 25439 3074 1 5 . 1 1 14 14 ASP HA H 14 4.379 4.379 4.310 0.069 25439 3075 1 5 . 1 1 14 14 ASP CA C 14 56.427 56.427 57.179 -0.752 25439 3076 1 5 . 1 1 14 14 ASP CB C 14 41.177 41.177 40.653 0.524 25439 3077 1 5 . 1 1 14 14 ASP H H 14 8.206 8.206 8.655 -0.449 25439 3078 1 5 . 1 1 15 15 GLY N N 15 113.273 113.273 107.668 5.605 25439 3079 1 5 . 1 1 15 15 GLY CA C 15 45.146 45.146 46.717 -1.571 25439 3080 1 5 . 1 1 15 15 GLY H H 15 8.723 8.723 8.463 0.260 25439 3081 1 5 . 1 1 16 16 PHE N N 16 123.113 123.113 122.627 0.486 25439 3082 1 5 . 1 1 16 16 PHE HA H 16 4.125 4.125 4.264 -0.139 25439 3083 1 5 . 1 1 16 16 PHE CA C 16 60.715 60.715 59.486 1.229 25439 3084 1 5 . 1 1 16 16 PHE CB C 16 39.639 39.639 39.099 0.541 25439 3085 1 5 . 1 1 16 16 PHE H H 16 8.127 8.127 8.285 -0.158 25439 3086 1 5 . 1 1 17 17 GLU N N 17 115.695 115.695 119.397 -3.702 25439 3087 1 5 . 1 1 17 17 GLU HA H 17 3.768 3.768 3.804 -0.035 25439 3088 1 5 . 1 1 17 17 GLU CA C 17 59.234 59.234 59.356 -0.122 25439 3089 1 5 . 1 1 17 17 GLU CB C 17 28.495 28.495 29.325 -0.830 25439 3090 1 5 . 1 1 17 17 GLU H H 17 9.088 9.088 8.183 0.905 25439 3091 1 5 . 1 1 18 18 LYS N N 18 115.887 115.887 117.617 -1.730 25439 3092 1 5 . 1 1 18 18 LYS HA H 18 4.165 4.165 4.064 0.101 25439 3093 1 5 . 1 1 18 18 LYS CA C 18 58.249 58.249 58.757 -0.508 25439 3094 1 5 . 1 1 18 18 LYS CB C 18 32.725 32.725 32.847 -0.122 25439 3095 1 5 . 1 1 18 18 LYS H H 18 7.285 7.285 7.762 -0.477 25439 3096 1 5 . 1 1 19 19 ILE N N 19 110.277 110.277 111.074 -0.797 25439 3097 1 5 . 1 1 19 19 ILE HA H 19 4.722 4.722 4.675 0.047 25439 3098 1 5 . 1 1 19 19 ILE CA C 19 61.093 61.093 59.863 1.230 25439 3099 1 5 . 1 1 19 19 ILE CB C 19 39.139 39.139 38.209 0.930 25439 3100 1 5 . 1 1 19 19 ILE H H 19 7.031 7.031 7.490 -0.459 25439 3101 1 5 . 1 1 20 20 LYS N N 20 124.540 124.540 122.587 1.953 25439 3102 1 5 . 1 1 20 20 LYS HA H 20 3.603 3.603 3.700 -0.097 25439 3103 1 5 . 1 1 20 20 LYS CA C 20 60.917 60.917 59.869 1.048 25439 3104 1 5 . 1 1 20 20 LYS CB C 20 30.210 30.210 30.384 -0.173 25439 3105 1 5 . 1 1 20 20 LYS H H 20 7.666 7.666 7.438 0.228 25439 3106 1 5 . 1 1 21 21 PRO HA H 21 4.292 4.292 4.576 -0.284 25439 3107 1 5 . 1 1 21 21 PRO CA C 21 66.990 66.990 65.319 1.671 25439 3108 1 5 . 1 1 21 21 PRO CB C 21 30.779 30.779 31.486 -0.708 25439 3109 1 5 . 1 1 22 22 THR N N 22 114.917 114.917 115.248 -0.331 25439 3110 1 5 . 1 1 22 22 THR HA H 22 3.866 3.866 4.066 -0.200 25439 3111 1 5 . 1 1 22 22 THR CA C 22 66.575 66.575 66.488 0.087 25439 3112 1 5 . 1 1 22 22 THR CB C 22 68.731 68.731 68.524 0.207 25439 3113 1 5 . 1 1 22 22 THR H H 22 7.331 7.331 8.251 -0.920 25439 3114 1 5 . 1 1 23 23 LEU N N 23 120.152 120.152 120.499 -0.347 25439 3115 1 5 . 1 1 23 23 LEU HA H 23 4.397 4.397 3.941 0.456 25439 3116 1 5 . 1 1 23 23 LEU CA C 23 58.740 58.740 57.792 0.948 25439 3117 1 5 . 1 1 23 23 LEU CB C 23 40.489 40.489 41.987 -1.498 25439 3118 1 5 . 1 1 23 23 LEU H H 23 7.991 7.991 7.552 0.439 25439 3119 1 5 . 1 1 24 24 THR N N 24 119.365 119.365 115.814 3.551 25439 3120 1 5 . 1 1 24 24 THR HA H 24 4.095 4.095 3.903 0.192 25439 3121 1 5 . 1 1 24 24 THR CA C 24 66.834 66.834 67.083 -0.249 25439 3122 1 5 . 1 1 24 24 THR CB C 24 68.614 68.614 68.489 0.125 25439 3123 1 5 . 1 1 24 24 THR H H 24 9.175 9.175 7.426 1.749 25439 3124 1 5 . 1 1 25 25 ASP N N 25 122.865 122.865 121.391 1.474 25439 3125 1 5 . 1 1 25 25 ASP HA H 25 4.483 4.483 4.393 0.090 25439 3126 1 5 . 1 1 25 25 ASP CA C 25 58.158 58.158 57.521 0.637 25439 3127 1 5 . 1 1 25 25 ASP CB C 25 40.329 40.329 40.515 -0.186 25439 3128 1 5 . 1 1 25 25 ASP H H 25 7.714 7.714 7.928 -0.214 25439 3129 1 5 . 1 1 26 26 PHE N N 26 116.182 116.182 118.600 -2.418 25439 3130 1 5 . 1 1 26 26 PHE HA H 26 4.457 4.457 4.173 0.284 25439 3131 1 5 . 1 1 26 26 PHE CA C 26 62.531 62.531 61.728 0.803 25439 3132 1 5 . 1 1 26 26 PHE CB C 26 39.468 39.468 38.822 0.646 25439 3133 1 5 . 1 1 26 26 PHE H H 26 7.816 7.816 7.877 -0.061 25439 3134 1 5 . 1 1 27 27 GLU N N 27 120.107 120.107 118.826 1.281 25439 3135 1 5 . 1 1 27 27 GLU HA H 27 4.113 4.113 4.016 0.097 25439 3136 1 5 . 1 1 27 27 GLU CA C 27 59.852 59.852 59.998 -0.146 25439 3137 1 5 . 1 1 27 27 GLU CB C 27 29.692 29.692 29.284 0.408 25439 3138 1 5 . 1 1 27 27 GLU H H 27 8.068 8.068 7.951 0.117 25439 3139 1 5 . 1 1 28 28 ILE N N 28 121.494 121.494 120.318 1.176 25439 3140 1 5 . 1 1 28 28 ILE HA H 28 3.718 3.718 3.732 -0.014 25439 3141 1 5 . 1 1 28 28 ILE CA C 28 65.002 65.002 65.141 -0.139 25439 3142 1 5 . 1 1 28 28 ILE CB C 28 38.023 38.023 37.898 0.125 25439 3143 1 5 . 1 1 28 28 ILE H H 28 8.531 8.531 7.423 1.108 25439 3144 1 5 . 1 1 29 29 GLN N N 29 118.941 118.941 120.431 -1.490 25439 3145 1 5 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.145 0.035 25439 3146 1 5 . 1 1 29 29 GLN CA C 29 59.507 59.507 59.099 0.408 25439 3147 1 5 . 1 1 29 29 GLN CB C 29 29.783 29.783 28.856 0.927 25439 3148 1 5 . 1 1 29 29 GLN H H 29 8.117 8.117 7.586 0.531 25439 3149 1 5 . 1 1 30 30 LEU N N 30 121.724 121.724 120.782 0.942 25439 3150 1 5 . 1 1 30 30 LEU HA H 30 4.032 4.032 3.979 0.053 25439 3151 1 5 . 1 1 30 30 LEU CA C 30 58.333 58.333 58.379 -0.046 25439 3152 1 5 . 1 1 30 30 LEU CB C 30 42.339 42.339 41.997 0.342 25439 3153 1 5 . 1 1 30 30 LEU H H 30 8.677 8.677 8.635 0.042 25439 3154 1 5 . 1 1 31 31 ARG N N 31 120.629 120.629 119.866 0.763 25439 3155 1 5 . 1 1 31 31 ARG HA H 31 4.105 4.105 3.943 0.162 25439 3156 1 5 . 1 1 31 31 ARG CA C 31 59.340 59.340 60.085 -0.745 25439 3157 1 5 . 1 1 31 31 ARG CB C 31 30.044 30.044 29.850 0.194 25439 3158 1 5 . 1 1 31 31 ARG H H 31 8.227 8.227 8.543 -0.316 25439 3159 1 5 . 1 1 32 32 ASP N N 32 120.233 120.233 119.756 0.477 25439 3160 1 5 . 1 1 32 32 ASP HA H 32 4.484 4.484 4.365 0.119 25439 3161 1 5 . 1 1 32 32 ASP CA C 32 57.199 57.199 57.567 -0.368 25439 3162 1 5 . 1 1 32 32 ASP CB C 32 40.202 40.202 40.464 -0.262 25439 3163 1 5 . 1 1 32 32 ASP H H 32 8.407 8.407 7.861 0.546 25439 3164 1 5 . 1 1 33 33 ALA N N 33 121.939 121.939 122.638 -0.699 25439 3165 1 5 . 1 1 33 33 ALA HA H 33 4.321 4.321 3.994 0.327 25439 3166 1 5 . 1 1 33 33 ALA CA C 33 54.207 54.207 55.058 -0.851 25439 3167 1 5 . 1 1 33 33 ALA CB C 33 18.738 18.738 18.385 0.353 25439 3168 1 5 . 1 1 33 33 ALA H H 33 8.057 8.057 7.525 0.532 25439 3169 1 5 . 1 1 34 34 GLN N N 34 114.736 114.736 117.190 -2.454 25439 3170 1 5 . 1 1 34 34 GLN HA H 34 4.248 4.248 4.077 0.171 25439 3171 1 5 . 1 1 34 34 GLN CA C 34 56.567 56.567 58.715 -2.148 25439 3172 1 5 . 1 1 34 34 GLN CB C 34 29.743 29.743 28.893 0.850 25439 3173 1 5 . 1 1 34 34 GLN H H 34 7.746 7.746 8.432 -0.686 25439 3174 1 5 . 1 1 35 35 LYS N N 35 120.534 120.534 117.855 2.679 25439 3175 1 5 . 1 1 35 35 LYS HA H 35 4.232 4.232 4.360 -0.128 25439 3176 1 5 . 1 1 35 35 LYS CA C 35 57.427 57.427 57.892 -0.465 25439 3177 1 5 . 1 1 35 35 LYS CB C 35 32.887 32.887 32.955 -0.068 25439 3178 1 5 . 1 1 35 35 LYS H H 35 7.570 7.570 7.920 -0.350 25439 3179 1 5 . 1 1 36 36 ASP N N 36 120.943 120.943 121.448 -0.505 25439 3180 1 5 . 1 1 36 36 ASP HA H 36 4.595 4.595 4.431 0.164 25439 3181 1 5 . 1 1 36 36 ASP CA C 36 54.983 54.983 56.799 -1.816 25439 3182 1 5 . 1 1 36 36 ASP CB C 36 41.129 41.129 40.481 0.648 25439 3183 1 5 . 1 1 36 36 ASP H H 36 8.375 8.375 8.481 -0.106 25439 3184 1 5 . 1 1 37 37 LYS N N 37 122.598 122.598 118.067 4.531 25439 3185 1 5 . 1 1 37 37 LYS HA H 37 4.365 4.365 3.989 0.376 25439 3186 1 5 . 1 1 37 37 LYS CA C 37 56.725 56.725 57.916 -1.192 25439 3187 1 5 . 1 1 37 37 LYS CB C 37 32.823 32.823 32.741 0.082 25439 3188 1 5 . 1 1 37 37 LYS H H 37 8.446 8.446 7.649 0.797 25439 3189 1 5 . 1 1 38 38 SER N N 38 115.849 115.849 112.257 3.592 25439 3190 1 5 . 1 1 38 38 SER HA H 38 4.423 4.423 4.220 0.203 25439 3191 1 5 . 1 1 38 38 SER CA C 38 59.193 59.193 58.994 0.199 25439 3192 1 5 . 1 1 38 38 SER CB C 38 63.744 63.744 63.039 0.704 25439 3193 1 5 . 1 1 38 38 SER H H 38 8.392 8.392 7.810 0.582 25439 3194 1 5 . 1 1 39 39 SER N N 39 117.258 117.258 116.362 0.896 25439 3195 1 5 . 1 1 39 39 SER HA H 39 4.445 4.445 4.429 0.016 25439 3196 1 5 . 1 1 39 39 SER CA C 39 58.933 58.933 59.359 -0.426 25439 3197 1 5 . 1 1 39 39 SER CB C 39 63.711 63.711 63.240 0.471 25439 3198 1 5 . 1 1 39 39 SER H H 39 8.283 8.283 8.439 -0.156 25439 3199 1 5 . 1 1 40 40 LYS N N 40 122.427 122.427 123.277 -0.850 25439 3200 1 5 . 1 1 40 40 LYS HA H 40 4.321 4.321 4.434 -0.113 25439 3201 1 5 . 1 1 40 40 LYS CA C 40 56.847 56.847 55.772 1.075 25439 3202 1 5 . 1 1 40 40 LYS CB C 40 32.764 32.764 32.276 0.488 25439 3203 1 5 . 1 1 40 40 LYS H H 40 8.263 8.263 8.152 0.111 25439 3204 1 5 . 1 1 41 41 LEU N N 41 121.281 121.281 126.133 -4.852 25439 3205 1 5 . 1 1 41 41 LEU HA H 41 4.308 4.308 4.512 -0.204 25439 3206 1 5 . 1 1 41 41 LEU CA C 41 55.335 55.335 55.757 -0.422 25439 3207 1 5 . 1 1 41 41 LEU CB C 41 42.212 42.212 43.867 -1.655 25439 3208 1 5 . 1 1 41 41 LEU H H 41 8.068 8.068 8.102 -0.034 25439 3209 1 5 . 1 1 42 42 ALA N N 42 123.964 123.964 126.544 -2.580 25439 3210 1 5 . 1 1 42 42 ALA HA H 42 4.274 4.274 4.558 -0.284 25439 3211 1 5 . 1 1 42 42 ALA CA C 42 52.851 52.851 51.555 1.296 25439 3212 1 5 . 1 1 42 42 ALA CB C 42 19.135 19.135 18.740 0.395 25439 3213 1 5 . 1 1 42 42 ALA H H 42 8.111 8.111 8.422 -0.311 25439 3214 1 5 . 1 1 43 43 ALA N N 43 122.146 122.146 121.674 0.472 25439 3215 1 5 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.461 -0.164 25439 3216 1 5 . 1 1 43 43 ALA CA C 43 52.727 52.727 52.035 0.692 25439 3217 1 5 . 1 1 43 43 ALA CB C 43 19.318 19.318 19.769 -0.451 25439 3218 1 5 . 1 1 43 43 ALA H H 43 8.101 8.101 7.741 0.360 25439 3219 1 5 . 1 1 44 44 LYS N N 44 119.454 119.454 122.481 -3.027 25439 3220 1 5 . 1 1 44 44 LYS HA H 44 4.349 4.349 3.828 0.521 25439 3221 1 5 . 1 1 44 44 LYS CA C 44 56.267 56.267 56.680 -0.413 25439 3222 1 5 . 1 1 44 44 LYS CB C 44 32.825 32.825 30.560 2.265 25439 3223 1 5 . 1 1 44 44 LYS H H 44 8.198 8.198 8.694 -0.496 25439 3224 1 5 . 1 1 45 45 SER N N 45 116.660 116.660 113.660 3.000 25439 3225 1 5 . 1 1 45 45 SER HA H 45 4.368 4.368 4.316 0.052 25439 3226 1 5 . 1 1 45 45 SER CA C 45 58.477 58.477 59.433 -0.956 25439 3227 1 5 . 1 1 45 45 SER CB C 45 64.063 64.063 64.037 0.026 25439 3228 1 5 . 1 1 45 45 SER H H 45 8.251 8.251 8.379 -0.128 25439 3229 1 5 . 1 1 46 46 ASN N N 46 120.516 120.516 119.725 0.791 25439 3230 1 5 . 1 1 46 46 ASN HA H 46 4.361 4.361 4.196 0.165 25439 3231 1 5 . 1 1 46 46 ASN CA C 46 54.657 54.657 55.967 -1.310 25439 3232 1 5 . 1 1 46 46 ASN CB C 46 37.649 37.649 37.557 0.092 25439 3233 1 5 . 1 1 46 46 ASN H H 46 8.498 8.498 8.496 0.002 25439 3234 1 5 . 1 1 47 47 GLU N N 47 117.964 117.964 117.764 0.200 25439 3235 1 5 . 1 1 47 47 GLU HA H 47 3.350 3.350 2.972 0.378 25439 3236 1 5 . 1 1 47 47 GLU CA C 47 59.213 59.213 59.257 -0.044 25439 3237 1 5 . 1 1 47 47 GLU CB C 47 28.998 28.998 28.879 0.119 25439 3238 1 5 . 1 1 47 47 GLU H H 47 8.016 8.016 8.297 -0.281 25439 3239 1 5 . 1 1 48 48 GLN N N 48 119.468 119.468 119.300 0.168 25439 3240 1 5 . 1 1 48 48 GLN HA H 48 4.250 4.250 3.998 0.252 25439 3241 1 5 . 1 1 48 48 GLN CA C 48 58.529 58.529 58.747 -0.218 25439 3242 1 5 . 1 1 48 48 GLN CB C 48 28.902 28.902 28.420 0.482 25439 3243 1 5 . 1 1 48 48 GLN H H 48 7.892 7.892 7.294 0.598 25439 3244 1 5 . 1 1 49 49 LEU N N 49 120.145 120.145 119.951 0.194 25439 3245 1 5 . 1 1 49 49 LEU HA H 49 4.232 4.232 3.971 0.261 25439 3246 1 5 . 1 1 49 49 LEU CA C 49 57.479 57.479 57.933 -0.454 25439 3247 1 5 . 1 1 49 49 LEU CB C 49 41.391 41.391 41.916 -0.525 25439 3248 1 5 . 1 1 49 49 LEU H H 49 7.699 7.699 7.516 0.183 25439 3249 1 5 . 1 1 50 50 TRP N N 50 119.596 119.596 117.541 2.055 25439 3250 1 5 . 1 1 50 50 TRP HA H 50 4.520 4.520 4.412 0.108 25439 3251 1 5 . 1 1 50 50 TRP CA C 50 58.353 58.353 58.321 0.032 25439 3252 1 5 . 1 1 50 50 TRP CB C 50 28.880 28.880 28.206 0.673 25439 3253 1 5 . 1 1 50 50 TRP H H 50 8.385 8.385 7.795 0.590 25439 3254 1 5 . 1 1 51 51 GLU N N 51 119.362 119.362 119.640 -0.278 25439 3255 1 5 . 1 1 51 51 GLU HA H 51 4.145 4.145 4.107 0.038 25439 3256 1 5 . 1 1 51 51 GLU CA C 51 60.035 60.035 59.463 0.572 25439 3257 1 5 . 1 1 51 51 GLU CB C 51 29.675 29.675 29.277 0.398 25439 3258 1 5 . 1 1 51 51 GLU H H 51 8.223 8.223 7.855 0.368 25439 3259 1 5 . 1 1 52 52 ILE N N 52 119.018 119.018 119.535 -0.517 25439 3260 1 5 . 1 1 52 52 ILE HA H 52 3.673 3.673 3.711 -0.038 25439 3261 1 5 . 1 1 52 52 ILE CA C 52 65.511 65.511 65.272 0.239 25439 3262 1 5 . 1 1 52 52 ILE CB C 52 38.532 38.532 38.196 0.336 25439 3263 1 5 . 1 1 52 52 ILE H H 52 7.801 7.801 7.588 0.213 25439 3264 1 5 . 1 1 53 53 MET N N 53 118.133 118.133 116.654 1.479 25439 3265 1 5 . 1 1 53 53 MET HA H 53 4.452 4.452 4.077 0.375 25439 3266 1 5 . 1 1 53 53 MET CA C 53 58.216 58.216 58.608 -0.392 25439 3267 1 5 . 1 1 53 53 MET CB C 53 31.838 31.838 31.788 0.050 25439 3268 1 5 . 1 1 53 53 MET H H 53 8.411 8.411 7.725 0.686 25439 3269 1 5 . 1 1 54 54 GLN N N 54 120.855 120.855 118.634 2.221 25439 3270 1 5 . 1 1 54 54 GLN HA H 54 4.333 4.333 4.074 0.259 25439 3271 1 5 . 1 1 54 54 GLN CA C 54 59.004 59.004 58.368 0.636 25439 3272 1 5 . 1 1 54 54 GLN CB C 54 27.824 27.824 28.755 -0.930 25439 3273 1 5 . 1 1 54 54 GLN H H 54 8.860 8.860 8.654 0.206 25439 3274 1 5 . 1 1 55 55 LEU N N 55 122.788 122.788 120.052 2.736 25439 3275 1 5 . 1 1 55 55 LEU HA H 55 4.302 4.302 4.176 0.126 25439 3276 1 5 . 1 1 55 55 LEU CA C 55 58.685 58.685 58.134 0.551 25439 3277 1 5 . 1 1 55 55 LEU CB C 55 42.695 42.695 41.758 0.937 25439 3278 1 5 . 1 1 55 55 LEU H H 55 8.298 8.298 8.140 0.158 25439 3279 1 5 . 1 1 56 56 HIS N N 56 118.426 118.426 117.823 0.603 25439 3280 1 5 . 1 1 56 56 HIS HA H 56 4.317 4.317 4.197 0.120 25439 3281 1 5 . 1 1 56 56 HIS CA C 56 60.732 60.732 60.206 0.526 25439 3282 1 5 . 1 1 56 56 HIS CB C 56 30.530 30.530 29.645 0.885 25439 3283 1 5 . 1 1 56 56 HIS H H 56 8.416 8.416 7.843 0.573 25439 3284 1 5 . 1 1 57 57 HIS N N 57 121.197 121.197 119.380 1.817 25439 3285 1 5 . 1 1 57 57 HIS HA H 57 4.318 4.318 4.546 -0.228 25439 3286 1 5 . 1 1 57 57 HIS CA C 57 60.739 60.739 58.912 1.827 25439 3287 1 5 . 1 1 57 57 HIS CB C 57 28.726 28.726 30.130 -1.404 25439 3288 1 5 . 1 1 57 57 HIS H H 57 8.608 8.608 8.211 0.397 25439 3289 1 5 . 1 1 58 58 GLN N N 58 118.739 118.739 118.926 -0.187 25439 3290 1 5 . 1 1 58 58 GLN HA H 58 4.202 4.202 4.086 0.116 25439 3291 1 5 . 1 1 58 58 GLN CA C 58 59.507 59.507 59.754 -0.247 25439 3292 1 5 . 1 1 58 58 GLN CB C 58 29.111 29.111 28.847 0.264 25439 3293 1 5 . 1 1 58 58 GLN H H 58 9.206 9.206 8.248 0.958 25439 3294 1 5 . 1 1 59 59 ARG N N 59 122.498 122.498 119.771 2.727 25439 3295 1 5 . 1 1 59 59 ARG HA H 59 3.437 3.437 3.644 -0.207 25439 3296 1 5 . 1 1 59 59 ARG CA C 59 60.361 60.361 59.842 0.519 25439 3297 1 5 . 1 1 59 59 ARG H H 59 8.623 8.623 8.147 0.476 25439 3298 1 5 . 1 1 60 60 SER N N 60 114.930 114.930 115.005 -0.075 25439 3299 1 5 . 1 1 60 60 SER HA H 60 4.515 4.515 4.250 0.265 25439 3300 1 5 . 1 1 60 60 SER CA C 60 64.832 64.832 62.069 2.764 25439 3301 1 5 . 1 1 60 60 SER CB C 60 63.583 63.583 62.949 0.634 25439 3302 1 5 . 1 1 60 60 SER H H 60 7.993 7.993 8.257 -0.264 25439 3303 1 5 . 1 1 61 61 ARG N N 61 124.417 124.417 122.505 1.912 25439 3304 1 5 . 1 1 61 61 ARG HA H 61 4.204 4.204 4.030 0.174 25439 3305 1 5 . 1 1 61 61 ARG CA C 61 58.852 58.852 59.638 -0.785 25439 3306 1 5 . 1 1 61 61 ARG CB C 61 29.077 29.077 30.218 -1.141 25439 3307 1 5 . 1 1 61 61 ARG H H 61 9.569 9.569 8.529 1.040 25439 3308 1 5 . 1 1 62 62 TYR N N 62 124.484 124.484 121.249 3.235 25439 3309 1 5 . 1 1 62 62 TYR HA H 62 4.676 4.676 4.289 0.387 25439 3310 1 5 . 1 1 62 62 TYR CA C 62 61.006 61.006 62.032 -1.026 25439 3311 1 5 . 1 1 62 62 TYR CB C 62 38.392 38.392 38.673 -0.281 25439 3312 1 5 . 1 1 62 62 TYR H H 62 8.622 8.622 8.288 0.334 25439 3313 1 5 . 1 1 63 63 ILE N N 63 119.789 119.789 119.079 0.710 25439 3314 1 5 . 1 1 63 63 ILE HA H 63 3.492 3.492 3.734 -0.242 25439 3315 1 5 . 1 1 63 63 ILE CA C 63 65.693 65.693 65.636 0.057 25439 3316 1 5 . 1 1 63 63 ILE CB C 63 38.023 38.023 38.200 -0.177 25439 3317 1 5 . 1 1 63 63 ILE H H 63 7.588 7.588 8.241 -0.653 25439 3318 1 5 . 1 1 64 64 TYR N N 64 120.485 120.485 121.559 -1.074 25439 3319 1 5 . 1 1 64 64 TYR HA H 64 4.577 4.577 4.246 0.331 25439 3320 1 5 . 1 1 64 64 TYR CA C 64 61.759 61.759 62.876 -1.117 25439 3321 1 5 . 1 1 64 64 TYR CB C 64 39.772 39.772 38.492 1.280 25439 3322 1 5 . 1 1 64 64 TYR H H 64 9.166 9.166 9.226 -0.060 25439 3323 1 5 . 1 1 65 65 THR N N 65 117.072 117.072 117.238 -0.166 25439 3324 1 5 . 1 1 65 65 THR HA H 65 3.562 3.562 4.046 -0.484 25439 3325 1 5 . 1 1 65 65 THR CA C 65 67.016 67.016 67.766 -0.750 25439 3326 1 5 . 1 1 65 65 THR CB C 65 68.711 68.711 68.523 0.188 25439 3327 1 5 . 1 1 65 65 THR H H 65 8.987 8.987 8.892 0.095 25439 3328 1 5 . 1 1 66 66 LEU N N 66 122.107 122.107 120.398 1.709 25439 3329 1 5 . 1 1 66 66 LEU HA H 66 3.782 3.782 4.314 -0.532 25439 3330 1 5 . 1 1 66 66 LEU CA C 66 58.476 58.476 58.123 0.353 25439 3331 1 5 . 1 1 66 66 LEU CB C 66 43.183 43.183 41.016 2.167 25439 3332 1 5 . 1 1 66 66 LEU H H 66 8.286 8.286 7.627 0.659 25439 3333 1 5 . 1 1 67 67 TYR N N 67 115.264 115.264 119.376 -4.112 25439 3334 1 5 . 1 1 67 67 TYR HA H 67 4.344 4.344 4.077 0.267 25439 3335 1 5 . 1 1 67 67 TYR CA C 67 60.830 60.830 61.349 -0.518 25439 3336 1 5 . 1 1 67 67 TYR CB C 67 40.376 40.376 39.529 0.847 25439 3337 1 5 . 1 1 67 67 TYR H H 67 7.983 7.983 8.216 -0.233 25439 3338 1 5 . 1 1 68 68 TYR N N 68 113.945 113.945 116.714 -2.769 25439 3339 1 5 . 1 1 68 68 TYR HA H 68 3.699 3.699 4.317 -0.618 25439 3340 1 5 . 1 1 68 68 TYR CA C 68 62.030 62.030 59.822 2.208 25439 3341 1 5 . 1 1 68 68 TYR CB C 68 38.046 38.046 38.505 -0.459 25439 3342 1 5 . 1 1 68 68 TYR H H 68 8.297 8.297 8.310 -0.013 25439 3343 1 5 . 1 1 69 69 LYS N N 69 114.346 114.346 118.417 -4.071 25439 3344 1 5 . 1 1 69 69 LYS HA H 69 4.564 4.564 4.434 0.130 25439 3345 1 5 . 1 1 69 69 LYS CA C 69 56.821 56.821 56.949 -0.128 25439 3346 1 5 . 1 1 69 69 LYS CB C 69 31.980 31.980 33.919 -1.939 25439 3347 1 5 . 1 1 69 69 LYS H H 69 7.084 7.084 7.678 -0.594 25439 3348 1 5 . 1 1 70 70 ARG N N 70 114.676 114.676 118.902 -4.226 25439 3349 1 5 . 1 1 70 70 ARG HA H 70 4.251 4.251 4.242 0.009 25439 3350 1 5 . 1 1 70 70 ARG CA C 70 56.314 56.314 57.088 -0.774 25439 3351 1 5 . 1 1 70 70 ARG CB C 70 31.128 31.128 30.782 0.346 25439 3352 1 5 . 1 1 70 70 ARG H H 70 8.178 8.178 7.855 0.323 25439 3353 1 5 . 1 1 71 71 LYS N N 71 115.371 115.371 116.707 -1.336 25439 3354 1 5 . 1 1 71 71 LYS HA H 71 4.036 4.036 3.726 0.310 25439 3355 1 5 . 1 1 71 71 LYS CA C 71 57.121 57.121 57.019 0.102 25439 3356 1 5 . 1 1 71 71 LYS CB C 71 28.897 28.897 30.443 -1.546 25439 3357 1 5 . 1 1 71 71 LYS H H 71 6.843 6.843 7.866 -1.023 25439 3358 1 5 . 1 1 72 72 ALA N N 72 117.701 117.701 121.048 -3.347 25439 3359 1 5 . 1 1 72 72 ALA HA H 72 4.395 4.395 4.427 -0.032 25439 3360 1 5 . 1 1 72 72 ALA CA C 72 52.597 52.597 51.779 0.819 25439 3361 1 5 . 1 1 72 72 ALA CB C 72 21.560 21.560 19.774 1.786 25439 3362 1 5 . 1 1 72 72 ALA H H 72 8.560 8.560 7.600 0.960 25439 3363 1 5 . 1 1 73 73 ILE N N 73 107.605 107.605 116.384 -8.779 25439 3364 1 5 . 1 1 73 73 ILE CB C 73 42.724 42.724 41.422 1.302 25439 3365 1 5 . 1 1 73 73 ILE H H 73 7.074 7.074 7.384 -0.310 25439 3366 1 5 . 1 1 74 74 SER N N 74 118.425 118.425 118.157 0.268 25439 3367 1 5 . 1 1 74 74 SER HA H 74 4.484 4.484 4.862 -0.378 25439 3368 1 5 . 1 1 74 74 SER CA C 74 57.082 57.082 56.352 0.730 25439 3369 1 5 . 1 1 74 74 SER CB C 74 65.396 65.396 64.493 0.903 25439 3370 1 5 . 1 1 74 74 SER H H 74 8.797 8.797 8.432 0.365 25439 3371 1 5 . 1 1 75 75 LYS N N 75 121.891 121.891 127.370 -5.479 25439 3372 1 5 . 1 1 75 75 LYS HA H 75 3.851 3.851 4.233 -0.382 25439 3373 1 5 . 1 1 75 75 LYS CA C 75 59.624 59.624 59.742 -0.118 25439 3374 1 5 . 1 1 75 75 LYS CB C 75 32.368 32.368 32.643 -0.275 25439 3375 1 5 . 1 1 75 75 LYS H H 75 9.024 9.024 9.179 -0.155 25439 3376 1 5 . 1 1 76 76 ASP N N 76 115.908 115.908 120.097 -4.189 25439 3377 1 5 . 1 1 76 76 ASP HA H 76 4.423 4.423 4.375 0.048 25439 3378 1 5 . 1 1 76 76 ASP CA C 76 57.362 57.362 57.782 -0.420 25439 3379 1 5 . 1 1 76 76 ASP CB C 76 40.391 40.391 40.491 -0.100 25439 3380 1 5 . 1 1 76 76 ASP H H 76 8.161 8.161 7.873 0.288 25439 3381 1 5 . 1 1 77 77 LEU N N 77 121.705 121.705 121.185 0.520 25439 3382 1 5 . 1 1 77 77 LEU HA H 77 4.180 4.180 4.123 0.057 25439 3383 1 5 . 1 1 77 77 LEU CA C 77 57.818 57.818 57.931 -0.113 25439 3384 1 5 . 1 1 77 77 LEU H H 77 8.345 8.345 7.724 0.621 25439 3385 1 5 . 1 1 78 78 TYR N N 78 121.511 121.511 119.739 1.772 25439 3386 1 5 . 1 1 78 78 TYR HA H 78 3.789 3.789 3.991 -0.202 25439 3387 1 5 . 1 1 78 78 TYR CA C 78 62.857 62.857 60.631 2.226 25439 3388 1 5 . 1 1 78 78 TYR CB C 78 38.369 38.369 37.800 0.569 25439 3389 1 5 . 1 1 78 78 TYR H H 78 8.598 8.598 8.490 0.108 25439 3390 1 5 . 1 1 79 79 ASP N N 79 117.189 117.189 119.649 -2.460 25439 3391 1 5 . 1 1 79 79 ASP HA H 79 4.066 4.066 3.990 0.076 25439 3392 1 5 . 1 1 79 79 ASP CA C 79 57.219 57.219 57.849 -0.630 25439 3393 1 5 . 1 1 79 79 ASP CB C 79 40.003 40.003 40.828 -0.825 25439 3394 1 5 . 1 1 79 79 ASP H H 79 9.106 9.106 8.529 0.577 25439 3395 1 5 . 1 1 80 80 TRP N N 80 123.400 123.400 122.507 0.893 25439 3396 1 5 . 1 1 80 80 TRP HA H 80 4.160 4.160 4.106 0.054 25439 3397 1 5 . 1 1 80 80 TRP CA C 80 62.368 62.368 61.394 0.974 25439 3398 1 5 . 1 1 80 80 TRP CB C 80 29.969 29.969 29.364 0.605 25439 3399 1 5 . 1 1 80 80 TRP H H 80 7.931 7.931 8.276 -0.345 25439 3400 1 5 . 1 1 81 81 LEU N N 81 119.674 119.674 118.549 1.125 25439 3401 1 5 . 1 1 81 81 LEU HA H 81 3.971 3.971 2.624 1.347 25439 3402 1 5 . 1 1 81 81 LEU CA C 81 58.294 58.294 57.766 0.528 25439 3403 1 5 . 1 1 81 81 LEU CB C 81 41.818 41.818 41.500 0.318 25439 3404 1 5 . 1 1 81 81 LEU H H 81 8.814 8.814 8.073 0.741 25439 3405 1 5 . 1 1 82 82 ILE N N 82 118.746 118.746 118.766 -0.020 25439 3406 1 5 . 1 1 82 82 ILE HA H 82 3.861 3.861 3.756 0.105 25439 3407 1 5 . 1 1 82 82 ILE CA C 82 62.734 62.734 63.089 -0.354 25439 3408 1 5 . 1 1 82 82 ILE CB C 82 36.236 36.236 36.440 -0.204 25439 3409 1 5 . 1 1 82 82 ILE H H 82 7.886 7.886 7.544 0.342 25439 3410 1 5 . 1 1 83 83 LYS N N 83 124.819 124.819 118.189 6.630 25439 3411 1 5 . 1 1 83 83 LYS HA H 83 3.911 3.911 4.149 -0.238 25439 3412 1 5 . 1 1 83 83 LYS CA C 83 59.643 59.643 57.174 2.469 25439 3413 1 5 . 1 1 83 83 LYS CB C 83 32.027 32.027 32.378 -0.351 25439 3414 1 5 . 1 1 83 83 LYS H H 83 8.224 8.224 7.719 0.505 25439 3415 1 5 . 1 1 84 84 GLU N N 84 115.404 115.404 118.214 -2.810 25439 3416 1 5 . 1 1 84 84 GLU HA H 84 3.841 3.841 4.374 -0.533 25439 3417 1 5 . 1 1 84 84 GLU CA C 84 55.582 55.582 54.628 0.954 25439 3418 1 5 . 1 1 84 84 GLU CB C 84 29.459 29.459 28.817 0.642 25439 3419 1 5 . 1 1 84 84 GLU H H 84 8.138 8.138 7.236 0.902 25439 3420 1 5 . 1 1 85 85 LYS N N 85 111.563 111.563 118.653 -7.090 25439 3421 1 5 . 1 1 85 85 LYS HA H 85 3.820 3.820 3.996 -0.176 25439 3422 1 5 . 1 1 85 85 LYS CA C 85 57.890 57.890 57.130 0.760 25439 3423 1 5 . 1 1 85 85 LYS CB C 85 28.005 28.005 31.077 -3.072 25439 3424 1 5 . 1 1 85 85 LYS H H 85 7.719 7.719 7.906 -0.187 25439 3425 1 5 . 1 1 86 86 TYR N N 86 116.916 116.916 119.426 -2.510 25439 3426 1 5 . 1 1 86 86 TYR HA H 86 4.137 4.137 4.485 -0.348 25439 3427 1 5 . 1 1 86 86 TYR CA C 86 61.228 61.228 58.785 2.443 25439 3428 1 5 . 1 1 86 86 TYR CB C 86 39.535 39.535 40.683 -1.148 25439 3429 1 5 . 1 1 86 86 TYR H H 86 8.521 8.521 8.212 0.309 25439 3430 1 5 . 1 1 87 87 ALA N N 87 113.715 113.715 119.373 -5.658 25439 3431 1 5 . 1 1 87 87 ALA HA H 87 4.738 4.738 4.378 0.360 25439 3432 1 5 . 1 1 87 87 ALA CA C 87 49.121 49.121 50.636 -1.515 25439 3433 1 5 . 1 1 87 87 ALA CB C 87 23.295 23.295 22.032 1.263 25439 3434 1 5 . 1 1 87 87 ALA H H 87 6.959 6.959 7.631 -0.672 25439 3435 1 5 . 1 1 88 88 ASP N N 88 119.344 119.344 120.534 -1.190 25439 3436 1 5 . 1 1 88 88 ASP HA H 88 4.544 4.544 4.933 -0.389 25439 3437 1 5 . 1 1 88 88 ASP CA C 88 52.714 52.714 52.768 -0.054 25439 3438 1 5 . 1 1 88 88 ASP CB C 88 41.845 41.845 42.414 -0.569 25439 3439 1 5 . 1 1 88 88 ASP H H 88 7.870 7.870 8.644 -0.774 25439 3440 1 5 . 1 1 89 89 LYS N N 89 125.312 125.312 126.383 -1.071 25439 3441 1 5 . 1 1 89 89 LYS HA H 89 3.834 3.834 4.088 -0.254 25439 3442 1 5 . 1 1 89 89 LYS CA C 89 59.409 59.409 59.508 -0.099 25439 3443 1 5 . 1 1 89 89 LYS CB C 89 32.848 32.848 32.363 0.485 25439 3444 1 5 . 1 1 89 89 LYS H H 89 8.467 8.467 8.757 -0.290 25439 3445 1 5 . 1 1 90 90 LEU N N 90 119.899 119.899 120.836 -0.937 25439 3446 1 5 . 1 1 90 90 LEU HA H 90 4.023 4.023 4.041 -0.018 25439 3447 1 5 . 1 1 90 90 LEU CA C 90 57.049 57.049 57.931 -0.882 25439 3448 1 5 . 1 1 90 90 LEU CB C 90 41.099 41.099 41.696 -0.597 25439 3449 1 5 . 1 1 90 90 LEU H H 90 8.076 8.076 7.919 0.157 25439 3450 1 5 . 1 1 91 91 LEU N N 91 123.148 123.148 120.378 2.770 25439 3451 1 5 . 1 1 91 91 LEU HA H 91 3.498 3.498 3.782 -0.284 25439 3452 1 5 . 1 1 91 91 LEU CA C 91 56.971 56.971 57.725 -0.754 25439 3453 1 5 . 1 1 91 91 LEU CB C 91 41.823 41.823 41.668 0.155 25439 3454 1 5 . 1 1 91 91 LEU H H 91 7.120 7.120 8.395 -1.275 25439 3455 1 5 . 1 1 92 92 ILE N N 92 116.780 116.780 118.979 -2.199 25439 3456 1 5 . 1 1 92 92 ILE HA H 92 3.265 3.265 3.840 -0.575 25439 3457 1 5 . 1 1 92 92 ILE CA C 92 65.178 65.178 65.608 -0.430 25439 3458 1 5 . 1 1 92 92 ILE CB C 92 38.209 38.209 37.907 0.301 25439 3459 1 5 . 1 1 92 92 ILE H H 92 7.384 7.384 7.925 -0.541 25439 3460 1 5 . 1 1 93 93 ALA N N 93 117.061 117.061 122.259 -5.198 25439 3461 1 5 . 1 1 93 93 ALA HA H 93 3.930 3.930 4.062 -0.132 25439 3462 1 5 . 1 1 93 93 ALA CA C 93 54.839 54.839 55.574 -0.735 25439 3463 1 5 . 1 1 93 93 ALA CB C 93 18.125 18.125 18.173 -0.048 25439 3464 1 5 . 1 1 93 93 ALA H H 93 7.437 7.437 8.642 -1.205 25439 3465 1 5 . 1 1 94 94 LYS N N 94 116.036 116.036 118.975 -2.939 25439 3466 1 5 . 1 1 94 94 LYS HA H 94 3.803 3.803 3.669 0.134 25439 3467 1 5 . 1 1 94 94 LYS CA C 94 56.945 56.945 58.646 -1.701 25439 3468 1 5 . 1 1 94 94 LYS CB C 94 31.047 31.047 31.639 -0.591 25439 3469 1 5 . 1 1 94 94 LYS H H 94 7.012 7.012 7.623 -0.611 25439 3470 1 5 . 1 1 95 95 TRP N N 95 118.700 118.700 116.830 1.870 25439 3471 1 5 . 1 1 95 95 TRP HA H 95 4.814 4.814 4.533 0.281 25439 3472 1 5 . 1 1 95 95 TRP CA C 95 57.136 57.136 59.434 -2.298 25439 3473 1 5 . 1 1 95 95 TRP CB C 95 28.171 28.171 29.154 -0.983 25439 3474 1 5 . 1 1 95 95 TRP H H 95 7.611 7.611 7.547 0.064 25439 3475 1 5 . 1 1 96 96 ARG N N 96 113.031 113.031 116.320 -3.289 25439 3476 1 5 . 1 1 96 96 ARG HA H 96 4.233 4.233 4.298 -0.065 25439 3477 1 5 . 1 1 96 96 ARG CA C 96 56.234 56.234 57.746 -1.512 25439 3478 1 5 . 1 1 96 96 ARG CB C 96 30.245 30.245 30.823 -0.578 25439 3479 1 5 . 1 1 96 96 ARG H H 96 7.066 7.066 7.537 -0.471 25439 3480 1 5 . 1 1 97 97 LYS N N 97 123.252 123.252 119.445 3.807 25439 3481 1 5 . 1 1 97 97 LYS HA H 97 4.634 4.634 4.266 0.368 25439 3482 1 5 . 1 1 97 97 LYS CA C 97 54.937 54.937 57.348 -2.411 25439 3483 1 5 . 1 1 97 97 LYS CB C 97 34.166 34.166 32.768 1.398 25439 3484 1 5 . 1 1 97 97 LYS H H 97 8.467 8.467 8.368 0.099 25439 3485 1 5 . 1 1 98 98 THR N N 98 119.993 119.993 113.397 6.596 25439 3486 1 5 . 1 1 98 98 THR HA H 98 4.224 4.224 4.536 -0.312 25439 3487 1 5 . 1 1 98 98 THR CA C 98 64.670 64.670 61.528 3.142 25439 3488 1 5 . 1 1 98 98 THR CB C 98 69.200 69.200 69.609 -0.409 25439 3489 1 5 . 1 1 98 98 THR H H 98 8.329 8.329 8.210 0.119 25439 3490 1 5 . 1 1 99 99 GLY N N 99 116.645 116.645 112.860 3.785 25439 3491 1 5 . 1 1 99 99 GLY CA C 99 45.047 45.047 44.919 0.128 25439 3492 1 5 . 1 1 99 99 GLY H H 99 9.273 9.273 8.746 0.527 25439 3493 1 5 . 1 1 100 100 TYR N N 100 120.784 120.784 121.937 -1.153 25439 3494 1 5 . 1 1 100 100 TYR HA H 100 4.704 4.704 4.586 0.118 25439 3495 1 5 . 1 1 100 100 TYR CA C 100 57.697 57.697 56.188 1.509 25439 3496 1 5 . 1 1 100 100 TYR CB C 100 39.413 39.413 36.137 3.276 25439 3497 1 5 . 1 1 100 100 TYR H H 100 8.457 8.457 8.058 0.399 25439 3498 1 5 . 1 1 101 101 GLU N N 101 119.482 119.482 121.610 -2.128 25439 3499 1 5 . 1 1 101 101 GLU HA H 101 4.601 4.601 4.250 0.351 25439 3500 1 5 . 1 1 101 101 GLU CA C 101 61.207 61.207 58.073 3.134 25439 3501 1 5 . 1 1 101 101 GLU CB C 101 29.648 29.648 30.286 -0.638 25439 3502 1 5 . 1 1 101 101 GLU H H 101 9.836 9.836 7.922 1.914 25439 3503 1 5 . 1 1 102 102 LYS N N 102 115.179 115.179 119.986 -4.807 25439 3504 1 5 . 1 1 102 102 LYS HA H 102 4.295 4.295 4.670 -0.375 25439 3505 1 5 . 1 1 102 102 LYS CA C 102 54.207 54.207 55.464 -1.257 25439 3506 1 5 . 1 1 102 102 LYS CB C 102 32.489 32.489 33.386 -0.897 25439 3507 1 5 . 1 1 102 102 LYS H H 102 8.291 8.291 8.523 -0.232 25439 3508 1 5 . 1 1 103 103 LEU N N 103 119.637 119.637 119.590 0.047 25439 3509 1 5 . 1 1 103 103 LEU HA H 103 4.385 4.385 5.017 -0.632 25439 3510 1 5 . 1 1 103 103 LEU CA C 103 56.549 56.549 54.310 2.239 25439 3511 1 5 . 1 1 103 103 LEU CB C 103 43.864 43.864 44.601 -0.737 25439 3512 1 5 . 1 1 103 103 LEU H H 103 7.642 7.642 8.209 -0.567 25439 3513 1 5 . 1 1 104 104 CYS N N 104 129.651 129.651 116.576 13.075 25439 3514 1 5 . 1 1 104 104 CYS HA H 104 4.498 4.498 5.203 -0.705 25439 3515 1 5 . 1 1 104 104 CYS CA C 104 58.076 58.076 58.477 -0.401 25439 3516 1 5 . 1 1 104 104 CYS CB C 104 32.301 32.301 28.668 3.633 25439 3517 1 5 . 1 1 104 104 CYS H H 104 8.638 8.638 8.902 -0.264 25439 3518 1 5 . 1 1 105 105 CYS N N 105 120.206 120.206 118.126 2.080 25439 3519 1 5 . 1 1 105 105 CYS HA H 105 4.806 4.806 4.767 0.039 25439 3520 1 5 . 1 1 105 105 CYS CA C 105 58.271 58.271 56.988 1.283 25439 3521 1 5 . 1 1 105 105 CYS CB C 105 32.062 32.062 30.108 1.954 25439 3522 1 5 . 1 1 105 105 CYS H H 105 8.158 8.158 7.963 0.195 25439 3523 1 5 . 1 1 106 106 LEU N N 106 115.513 115.513 120.976 -5.463 25439 3524 1 5 . 1 1 106 106 LEU HA H 106 4.054 4.054 4.217 -0.163 25439 3525 1 5 . 1 1 106 106 LEU CA C 106 56.110 56.110 56.619 -0.509 25439 3526 1 5 . 1 1 106 106 LEU CB C 106 41.227 41.227 42.278 -1.051 25439 3527 1 5 . 1 1 106 106 LEU H H 106 8.466 8.466 8.221 0.245 25439 3528 1 5 . 1 1 107 107 ARG N N 107 122.711 122.711 118.484 4.227 25439 3529 1 5 . 1 1 107 107 ARG HA H 107 3.993 3.993 4.489 -0.496 25439 3530 1 5 . 1 1 107 107 ARG CA C 107 58.311 58.311 55.863 2.448 25439 3531 1 5 . 1 1 107 107 ARG CB C 107 28.965 28.965 28.839 0.126 25439 3532 1 5 . 1 1 107 107 ARG H H 107 8.131 8.131 8.208 -0.077 25439 3533 1 5 . 1 1 108 108 CYS N N 108 119.055 119.055 116.453 2.602 25439 3534 1 5 . 1 1 108 108 CYS HA H 108 4.101 4.101 4.693 -0.592 25439 3535 1 5 . 1 1 108 108 CYS CA C 108 63.936 63.936 59.344 4.592 25439 3536 1 5 . 1 1 108 108 CYS CB C 108 30.934 30.934 29.157 1.777 25439 3537 1 5 . 1 1 108 108 CYS H H 108 8.010 8.010 8.105 -0.095 25439 3538 1 5 . 1 1 109 109 ILE N N 109 107.315 107.315 117.138 -9.823 25439 3539 1 5 . 1 1 109 109 ILE HA H 109 4.684 4.684 3.988 0.696 25439 3540 1 5 . 1 1 109 109 ILE CA C 109 60.483 60.483 63.540 -3.057 25439 3541 1 5 . 1 1 109 109 ILE CB C 109 38.320 38.320 38.115 0.204 25439 3542 1 5 . 1 1 109 109 ILE H H 109 7.105 7.105 7.837 -0.732 25439 3543 1 5 . 1 1 110 110 GLN N N 110 122.468 122.468 117.547 4.921 25439 3544 1 5 . 1 1 110 110 GLN HA H 110 4.268 4.268 4.552 -0.284 25439 3545 1 5 . 1 1 110 110 GLN CA C 110 55.981 55.981 55.085 0.896 25439 3546 1 5 . 1 1 110 110 GLN CB C 110 29.656 29.656 31.649 -1.993 25439 3547 1 5 . 1 1 110 110 GLN H H 110 7.156 7.156 7.559 -0.403 25439 3548 1 5 . 1 1 111 111 LYS N N 111 124.650 124.650 124.078 0.572 25439 3549 1 5 . 1 1 111 111 LYS HA H 111 4.246 4.246 4.388 -0.142 25439 3550 1 5 . 1 1 111 111 LYS CA C 111 56.546 56.546 57.112 -0.566 25439 3551 1 5 . 1 1 111 111 LYS CB C 111 32.846 32.846 33.374 -0.528 25439 3552 1 5 . 1 1 111 111 LYS H H 111 8.522 8.522 8.740 -0.218 25439 3553 1 5 . 1 1 112 112 ASN N N 112 120.972 120.972 115.459 5.513 25439 3554 1 5 . 1 1 112 112 ASN HA H 112 4.778 4.778 4.833 -0.055 25439 3555 1 5 . 1 1 112 112 ASN CA C 112 52.902 52.902 52.745 0.158 25439 3556 1 5 . 1 1 112 112 ASN CB C 112 39.328 39.328 40.498 -1.170 25439 3557 1 5 . 1 1 112 112 ASN H H 112 8.360 8.360 8.024 0.336 25439 3558 1 5 . 1 1 113 113 GLU N N 113 121.710 121.710 120.675 1.035 25439 3559 1 5 . 1 1 113 113 GLU HA H 113 4.248 4.248 4.680 -0.432 25439 3560 1 5 . 1 1 113 113 GLU CA C 113 58.611 58.611 55.906 2.705 25439 3561 1 5 . 1 1 113 113 GLU CB C 113 29.590 29.590 29.141 0.449 25439 3562 1 5 . 1 1 113 113 GLU H H 113 9.023 9.023 8.693 0.330 25439 3563 1 5 . 1 1 114 114 THR N N 114 112.186 112.186 115.195 -3.009 25439 3564 1 5 . 1 1 114 114 THR HA H 114 4.321 4.321 4.560 -0.239 25439 3565 1 5 . 1 1 114 114 THR CA C 114 63.161 63.161 61.135 2.026 25439 3566 1 5 . 1 1 114 114 THR CB C 114 69.481 69.481 70.043 -0.562 25439 3567 1 5 . 1 1 114 114 THR H H 114 8.112 8.112 8.015 0.097 25439 3568 1 5 . 1 1 115 115 ASN N N 115 119.112 119.112 118.489 0.623 25439 3569 1 5 . 1 1 115 115 ASN HA H 115 4.829 4.829 4.746 0.083 25439 3570 1 5 . 1 1 115 115 ASN CA C 115 53.110 53.110 53.977 -0.867 25439 3571 1 5 . 1 1 115 115 ASN CB C 115 38.659 38.659 39.001 -0.342 25439 3572 1 5 . 1 1 115 115 ASN H H 115 8.047 8.047 8.619 -0.572 25439 3573 1 5 . 1 1 116 116 ASN N N 116 117.175 117.175 118.452 -1.277 25439 3574 1 5 . 1 1 116 116 ASN HA H 116 4.615 4.615 4.923 -0.308 25439 3575 1 5 . 1 1 116 116 ASN CA C 116 53.965 53.965 52.763 1.202 25439 3576 1 5 . 1 1 116 116 ASN CB C 116 38.173 38.173 40.791 -2.618 25439 3577 1 5 . 1 1 116 116 ASN H H 116 8.364 8.364 8.271 0.093 25439 3578 1 5 . 1 1 117 117 GLY N N 117 107.294 107.294 108.101 -0.807 25439 3579 1 5 . 1 1 117 117 GLY CA C 117 45.882 45.882 44.664 1.218 25439 3580 1 5 . 1 1 117 117 GLY H H 117 8.264 8.264 8.182 0.082 25439 3581 1 5 . 1 1 118 118 SER N N 118 115.475 115.475 114.779 0.696 25439 3582 1 5 . 1 1 118 118 SER HA H 118 4.586 4.586 4.916 -0.330 25439 3583 1 5 . 1 1 118 118 SER CA C 118 57.974 57.974 57.967 0.007 25439 3584 1 5 . 1 1 118 118 SER CB C 118 64.479 64.479 65.293 -0.815 25439 3585 1 5 . 1 1 118 118 SER H H 118 7.905 7.905 8.392 -0.487 25439 3586 1 5 . 1 1 119 119 THR N N 119 111.360 111.360 115.383 -4.023 25439 3587 1 5 . 1 1 119 119 THR HA H 119 4.450 4.450 4.672 -0.222 25439 3588 1 5 . 1 1 119 119 THR CA C 119 61.215 61.215 60.893 0.322 25439 3589 1 5 . 1 1 119 119 THR CB C 119 70.569 70.569 70.985 -0.416 25439 3590 1 5 . 1 1 119 119 THR H H 119 8.044 8.044 8.078 -0.034 25439 3591 1 5 . 1 1 120 120 CYS N N 120 122.708 122.708 122.221 0.487 25439 3592 1 5 . 1 1 120 120 CYS HA H 120 4.255 4.255 4.415 -0.160 25439 3593 1 5 . 1 1 120 120 CYS CA C 120 61.469 61.469 59.986 1.483 25439 3594 1 5 . 1 1 120 120 CYS CB C 120 30.892 30.892 28.268 2.624 25439 3595 1 5 . 1 1 120 120 CYS H H 120 8.045 8.045 8.306 -0.261 25439 3596 1 5 . 1 1 121 121 ILE N N 121 132.463 132.463 124.328 8.135 25439 3597 1 5 . 1 1 121 121 ILE HA H 121 4.025 4.025 3.766 0.259 25439 3598 1 5 . 1 1 121 121 ILE CA C 121 63.353 63.353 63.266 0.087 25439 3599 1 5 . 1 1 121 121 ILE CB C 121 38.222 38.222 37.474 0.748 25439 3600 1 5 . 1 1 121 121 ILE H H 121 8.237 8.237 8.518 -0.281 25439 3601 1 5 . 1 1 122 122 CYS N N 122 123.931 123.931 118.069 5.862 25439 3602 1 5 . 1 1 122 122 CYS HA H 122 4.233 4.233 4.170 0.063 25439 3603 1 5 . 1 1 122 122 CYS CA C 122 60.230 60.230 60.363 -0.133 25439 3604 1 5 . 1 1 122 122 CYS CB C 122 30.602 30.602 25.925 4.677 25439 3605 1 5 . 1 1 122 122 CYS H H 122 9.355 9.355 7.543 1.812 25439 3606 1 5 . 1 1 123 123 ARG N N 123 119.561 119.561 121.404 -1.843 25439 3607 1 5 . 1 1 123 123 ARG HA H 123 4.150 4.150 4.277 -0.127 25439 3608 1 5 . 1 1 123 123 ARG CA C 123 53.177 53.177 57.960 -4.783 25439 3609 1 5 . 1 1 123 123 ARG CB C 123 27.961 27.961 30.329 -2.368 25439 3610 1 5 . 1 1 123 123 ARG H H 123 7.677 7.677 7.720 -0.043 25439 3611 1 5 . 1 1 124 124 VAL N N 124 122.794 122.794 121.094 1.700 25439 3612 1 5 . 1 1 124 124 VAL HA H 124 4.081 4.081 4.121 -0.040 25439 3613 1 5 . 1 1 124 124 VAL CA C 124 60.647 60.647 60.622 0.025 25439 3614 1 5 . 1 1 124 124 VAL CB C 124 32.857 32.857 31.533 1.324 25439 3615 1 5 . 1 1 124 124 VAL H H 124 7.578 7.578 7.426 0.152 25439 3616 1 5 . 1 1 125 125 PRO HA H 125 4.263 4.263 4.560 -0.297 25439 3617 1 5 . 1 1 125 125 PRO CA C 125 63.268 63.268 62.341 0.927 25439 3618 1 5 . 1 1 125 125 PRO CB C 125 32.379 32.379 32.776 -0.397 25439 3619 1 5 . 1 1 126 126 ARG N N 126 128.350 128.350 120.219 8.131 25439 3620 1 5 . 1 1 126 126 ARG HA H 126 3.912 3.912 3.996 -0.084 25439 3621 1 5 . 1 1 126 126 ARG CA C 126 59.653 59.653 59.352 0.301 25439 3622 1 5 . 1 1 126 126 ARG CB C 126 29.339 29.339 29.485 -0.146 25439 3623 1 5 . 1 1 126 126 ARG H H 126 9.534 9.534 8.672 0.862 25439 3624 1 5 . 1 1 127 127 ALA N N 127 119.169 119.169 122.393 -3.224 25439 3625 1 5 . 1 1 127 127 ALA HA H 127 4.192 4.192 4.154 0.038 25439 3626 1 5 . 1 1 127 127 ALA CA C 127 55.227 55.227 54.990 0.237 25439 3627 1 5 . 1 1 127 127 ALA CB C 127 18.363 18.363 17.804 0.559 25439 3628 1 5 . 1 1 127 127 ALA H H 127 9.263 9.263 8.438 0.825 25439 3629 1 5 . 1 1 128 128 GLN N N 128 117.345 117.345 117.769 -0.424 25439 3630 1 5 . 1 1 128 128 GLN HA H 128 4.209 4.209 4.114 0.095 25439 3631 1 5 . 1 1 128 128 GLN CA C 128 58.506 58.506 58.632 -0.126 25439 3632 1 5 . 1 1 128 128 GLN CB C 128 28.220 28.220 28.255 -0.035 25439 3633 1 5 . 1 1 128 128 GLN H H 128 7.448 7.448 8.410 -0.962 25439 3634 1 5 . 1 1 129 129 LEU N N 129 120.561 120.561 120.081 0.480 25439 3635 1 5 . 1 1 129 129 LEU HA H 129 4.088 4.088 3.945 0.143 25439 3636 1 5 . 1 1 129 129 LEU CA C 129 57.952 57.952 57.776 0.176 25439 3637 1 5 . 1 1 129 129 LEU CB C 129 41.817 41.817 41.764 0.053 25439 3638 1 5 . 1 1 129 129 LEU H H 129 7.622 7.622 7.632 -0.010 25439 3639 1 5 . 1 1 130 130 GLU N N 130 119.122 119.122 118.725 0.397 25439 3640 1 5 . 1 1 130 130 GLU HA H 130 3.956 3.956 3.907 0.049 25439 3641 1 5 . 1 1 130 130 GLU CA C 130 59.353 59.353 59.815 -0.462 25439 3642 1 5 . 1 1 130 130 GLU CB C 130 29.337 29.337 29.337 0.000 25439 3643 1 5 . 1 1 130 130 GLU H H 130 8.656 8.656 8.498 0.158 25439 3644 1 5 . 1 1 131 131 GLU N N 131 121.469 121.469 119.014 2.455 25439 3645 1 5 . 1 1 131 131 GLU HA H 131 4.163 4.163 4.014 0.149 25439 3646 1 5 . 1 1 131 131 GLU CA C 131 59.288 59.288 59.451 -0.163 25439 3647 1 5 . 1 1 131 131 GLU CB C 131 29.422 29.422 29.362 0.060 25439 3648 1 5 . 1 1 131 131 GLU H H 131 7.922 7.922 7.871 0.051 25439 3649 1 5 . 1 1 132 132 GLU N N 132 119.241 119.241 119.420 -0.179 25439 3650 1 5 . 1 1 132 132 GLU HA H 132 3.998 3.998 3.990 0.008 25439 3651 1 5 . 1 1 132 132 GLU CA C 132 59.327 59.327 59.213 0.114 25439 3652 1 5 . 1 1 132 132 GLU CB C 132 29.421 29.421 29.427 -0.006 25439 3653 1 5 . 1 1 132 132 GLU H H 132 8.099 8.099 7.628 0.470 25439 3654 1 5 . 1 1 133 133 ALA N N 133 121.302 121.302 122.116 -0.814 25439 3655 1 5 . 1 1 133 133 ALA HA H 133 4.053 4.053 4.021 0.032 25439 3656 1 5 . 1 1 133 133 ALA CA C 133 54.973 54.973 55.203 -0.230 25439 3657 1 5 . 1 1 133 133 ALA CB C 133 18.154 18.154 18.077 0.077 25439 3658 1 5 . 1 1 133 133 ALA H H 133 7.795 7.795 7.633 0.162 25439 3659 1 5 . 1 1 134 134 ARG N N 134 118.757 118.757 116.861 1.896 25439 3660 1 5 . 1 1 134 134 ARG HA H 134 4.143 4.143 4.042 0.101 25439 3661 1 5 . 1 1 134 134 ARG CA C 134 59.438 59.438 58.792 0.646 25439 3662 1 5 . 1 1 134 134 ARG CB C 134 30.148 30.148 30.067 0.081 25439 3663 1 5 . 1 1 134 134 ARG H H 134 8.145 8.145 7.882 0.263 25439 3664 1 5 . 1 1 135 135 LYS N N 135 119.496 119.496 118.337 1.159 25439 3665 1 5 . 1 1 135 135 LYS HA H 135 4.073 4.073 4.233 -0.160 25439 3666 1 5 . 1 1 135 135 LYS CA C 135 59.327 59.327 58.274 1.053 25439 3667 1 5 . 1 1 135 135 LYS CB C 135 32.539 32.539 32.821 -0.282 25439 3668 1 5 . 1 1 135 135 LYS H H 135 8.036 8.036 7.512 0.524 25439 3669 1 5 . 1 1 136 136 LYS N N 136 116.645 116.645 116.939 -0.294 25439 3670 1 5 . 1 1 136 136 LYS HA H 136 4.362 4.362 4.146 0.216 25439 3671 1 5 . 1 1 136 136 LYS CA C 136 56.575 56.575 57.158 -0.583 25439 3672 1 5 . 1 1 136 136 LYS CB C 136 33.629 33.629 32.898 0.731 25439 3673 1 5 . 1 1 136 136 LYS H H 136 7.682 7.682 8.385 -0.703 25439 3674 1 5 . 1 1 137 137 GLY N N 137 109.349 109.349 107.880 1.469 25439 3675 1 5 . 1 1 137 137 GLY CA C 137 46.358 46.358 45.307 1.051 25439 3676 1 5 . 1 1 137 137 GLY H H 137 8.064 8.064 8.181 -0.117 25439 3677 1 5 . 1 1 138 138 THR N N 138 112.870 112.870 113.799 -0.929 25439 3678 1 5 . 1 1 138 138 THR HA H 138 4.735 4.735 4.623 0.112 25439 3679 1 5 . 1 1 138 138 THR CA C 138 59.308 59.308 60.637 -1.329 25439 3680 1 5 . 1 1 138 138 THR CB C 138 70.755 70.755 70.618 0.137 25439 3681 1 5 . 1 1 138 138 THR H H 138 8.111 8.111 7.893 0.218 25439 3682 1 5 . 1 1 139 139 GLN N N 139 118.177 118.177 119.700 -1.523 25439 3683 1 5 . 1 1 139 139 GLN HA H 139 4.609 4.609 4.622 -0.013 25439 3684 1 5 . 1 1 139 139 GLN CA C 139 54.435 54.435 54.869 -0.434 25439 3685 1 5 . 1 1 139 139 GLN CB C 139 30.777 30.777 30.853 -0.076 25439 3686 1 5 . 1 1 139 139 GLN H H 139 8.227 8.227 8.461 -0.234 25439 3687 1 5 . 1 1 140 140 VAL N N 140 123.601 123.601 121.420 2.181 25439 3688 1 5 . 1 1 140 140 VAL HA H 140 3.790 3.790 4.487 -0.697 25439 3689 1 5 . 1 1 140 140 VAL CA C 140 63.934 63.934 61.387 2.547 25439 3690 1 5 . 1 1 140 140 VAL CB C 140 32.154 32.154 33.466 -1.312 25439 3691 1 5 . 1 1 140 140 VAL H H 140 8.839 8.839 8.244 0.595 25439 3692 1 5 . 1 1 141 141 SER HA H 141 4.524 4.524 4.662 -0.138 25439 3693 1 5 . 1 1 141 141 SER CA C 141 57.841 57.841 57.973 -0.132 25439 3694 1 5 . 1 1 141 141 SER CB C 141 64.174 64.174 63.682 0.492 25439 3695 1 5 . 1 1 142 142 PHE N N 142 123.726 123.726 125.813 -2.087 25439 3696 1 5 . 1 1 142 142 PHE HA H 142 4.458 4.458 4.844 -0.386 25439 3697 1 5 . 1 1 142 142 PHE CA C 142 58.673 58.673 58.073 0.600 25439 3698 1 5 . 1 1 142 142 PHE CB C 142 40.055 40.055 40.614 -0.559 25439 3699 1 5 . 1 1 142 142 PHE H H 142 7.534 7.534 8.263 -0.729 25439 3700 1 5 . 1 1 143 143 HIS N N 143 126.548 126.548 117.761 8.787 25439 3701 1 5 . 1 1 143 143 HIS HA H 143 4.336 4.336 4.329 0.007 25439 3702 1 5 . 1 1 143 143 HIS CA C 143 56.837 56.837 55.847 0.990 25439 3703 1 5 . 1 1 143 143 HIS CB C 143 31.949 31.949 31.799 0.149 25439 3704 1 5 . 1 1 143 143 HIS H H 143 8.308 8.308 7.300 1.008 25439 3705 1 5 . 1 1 144 144 GLN N N 144 115.094 115.094 116.049 -0.955 25439 3706 1 5 . 1 1 144 144 GLN HA H 144 4.433 4.433 4.529 -0.096 25439 3707 1 5 . 1 1 144 144 GLN CA C 144 54.210 54.210 53.110 1.100 25439 3708 1 5 . 1 1 144 144 GLN CB C 144 32.925 32.925 32.029 0.896 25439 3709 1 5 . 1 1 144 144 GLN H H 144 7.203 7.203 6.996 0.207 25439 3710 1 5 . 1 1 145 145 CYS N N 145 123.088 123.088 118.633 4.455 25439 3711 1 5 . 1 1 145 145 CYS HA H 145 4.961 4.961 5.070 -0.109 25439 3712 1 5 . 1 1 145 145 CYS CA C 145 57.978 57.978 56.717 1.261 25439 3713 1 5 . 1 1 145 145 CYS CB C 145 33.555 33.555 29.875 3.680 25439 3714 1 5 . 1 1 145 145 CYS H H 145 8.668 8.668 8.602 0.066 25439 3715 1 5 . 1 1 146 146 VAL N N 146 113.265 113.265 117.836 -4.571 25439 3716 1 5 . 1 1 146 146 VAL HA H 146 4.238 4.238 4.162 0.076 25439 3717 1 5 . 1 1 146 146 VAL CA C 146 64.001 64.001 65.274 -1.273 25439 3718 1 5 . 1 1 146 146 VAL CB C 146 32.157 32.157 31.989 0.168 25439 3719 1 5 . 1 1 146 146 VAL H H 146 8.198 8.198 8.284 -0.086 25439 3720 1 5 . 1 1 147 147 HIS N N 147 120.556 120.556 118.530 2.026 25439 3721 1 5 . 1 1 147 147 HIS HA H 147 4.604 4.604 4.381 0.223 25439 3722 1 5 . 1 1 147 147 HIS CA C 147 58.708 58.708 58.593 0.115 25439 3723 1 5 . 1 1 147 147 HIS CB C 147 32.204 32.204 29.440 2.764 25439 3724 1 5 . 1 1 147 147 HIS H H 147 7.151 7.151 8.228 -1.077 25439 3725 1 5 . 1 1 148 148 CYS N N 148 112.110 112.110 112.333 -0.223 25439 3726 1 5 . 1 1 148 148 CYS HA H 148 4.889 4.889 4.676 0.213 25439 3727 1 5 . 1 1 148 148 CYS CA C 148 57.952 57.952 55.651 2.301 25439 3728 1 5 . 1 1 148 148 CYS CB C 148 32.956 32.956 30.266 2.690 25439 3729 1 5 . 1 1 148 148 CYS H H 148 7.413 7.413 7.262 0.151 25439 3730 1 5 . 1 1 149 149 GLY N N 149 112.797 112.797 108.232 4.565 25439 3731 1 5 . 1 1 149 149 GLY CA C 149 45.327 45.327 44.357 0.970 25439 3732 1 5 . 1 1 149 149 GLY H H 149 6.949 6.949 8.291 -1.342 25439 3733 1 5 . 1 1 150 150 CYS N N 150 127.277 127.277 119.852 7.425 25439 3734 1 5 . 1 1 150 150 CYS HA H 150 3.932 3.932 4.552 -0.620 25439 3735 1 5 . 1 1 150 150 CYS CA C 150 61.362 61.362 57.201 4.161 25439 3736 1 5 . 1 1 150 150 CYS CB C 150 30.632 30.632 29.728 0.904 25439 3737 1 5 . 1 1 150 150 CYS H H 150 8.240 8.240 7.163 1.077 25439 3738 1 5 . 1 1 151 151 ARG N N 151 125.476 125.476 126.390 -0.914 25439 3739 1 5 . 1 1 151 151 ARG HA H 151 4.775 4.775 4.326 0.449 25439 3740 1 5 . 1 1 151 151 ARG CA C 151 56.164 56.164 55.226 0.938 25439 3741 1 5 . 1 1 151 151 ARG CB C 151 30.354 30.354 29.426 0.928 25439 3742 1 5 . 1 1 151 151 ARG H H 151 8.492 8.492 8.669 -0.177 25439 3743 1 5 . 1 1 152 152 GLY N N 152 117.275 117.275 108.288 8.987 25439 3744 1 5 . 1 1 152 152 GLY CA C 152 45.523 45.523 45.391 0.132 25439 3745 1 5 . 1 1 152 152 GLY H H 152 9.812 9.812 7.664 2.148 25439 3746 1 5 . 1 1 153 153 CYS N N 153 126.187 126.187 118.955 7.232 25439 3747 1 5 . 1 1 153 153 CYS HA H 153 4.842 4.842 4.820 0.022 25439 3748 1 5 . 1 1 153 153 CYS CA C 153 57.130 57.130 55.830 1.300 25439 3749 1 5 . 1 1 153 153 CYS CB C 153 31.368 31.368 28.249 3.119 25439 3750 1 5 . 1 1 153 153 CYS H H 153 8.930 8.930 8.217 0.713 25439 3751 1 5 . 1 1 154 154 ALA N N 154 125.869 125.869 126.114 -0.245 25439 3752 1 5 . 1 1 154 154 ALA HA H 154 4.159 4.159 4.936 -0.777 25439 3753 1 5 . 1 1 154 154 ALA CA C 154 53.187 53.187 51.819 1.369 25439 3754 1 5 . 1 1 154 154 ALA CB C 154 18.937 18.937 21.585 -2.648 25439 3755 1 5 . 1 1 154 154 ALA H H 154 8.616 8.616 8.372 0.244 25439 3756 1 5 . 1 1 155 155 SER N N 155 116.724 116.724 117.453 -0.729 25439 3757 1 5 . 1 1 155 155 SER HA H 155 4.283 4.283 4.581 -0.298 25439 3758 1 5 . 1 1 155 155 SER CA C 155 60.136 60.136 59.831 0.305 25439 3759 1 5 . 1 1 155 155 SER CB C 155 63.575 63.575 64.315 -0.740 25439 3760 1 5 . 1 1 155 155 SER H H 155 9.358 9.358 9.114 0.244 25439 3761 1 5 . 1 1 156 156 THR N N 156 111.893 111.893 116.817 -4.924 25439 3762 1 5 . 1 1 156 156 THR HA H 156 4.358 4.358 4.580 -0.222 25439 3763 1 5 . 1 1 156 156 THR CA C 156 61.264 61.264 62.477 -1.213 25439 3764 1 5 . 1 1 156 156 THR CB C 156 69.999 69.999 68.920 1.079 25439 3765 1 5 . 1 1 156 156 THR H H 156 7.638 7.638 8.060 -0.422 25439 3766 1 6 . 1 1 0 0 GLY CA C 0 43.750 43.750 44.729 -0.979 25439 3767 1 6 . 1 1 1 1 SER N N 1 117.201 117.201 118.169 -0.968 25439 3768 1 6 . 1 1 1 1 SER HA H 1 4.809 4.809 4.369 0.440 25439 3769 1 6 . 1 1 1 1 SER CA C 1 56.525 56.525 58.964 -2.439 25439 3770 1 6 . 1 1 1 1 SER CB C 1 63.385 63.385 62.559 0.826 25439 3771 1 6 . 1 1 1 1 SER H H 1 8.381 8.381 8.274 0.107 25439 3772 1 6 . 1 1 2 2 PRO HA H 2 4.468 4.468 4.454 0.014 25439 3773 1 6 . 1 1 2 2 PRO CA C 2 63.292 63.292 63.142 0.149 25439 3774 1 6 . 1 1 2 2 PRO CB C 2 32.174 32.174 31.721 0.453 25439 3775 1 6 . 1 1 3 3 ARG N N 3 121.649 121.649 122.222 -0.573 25439 3776 1 6 . 1 1 3 3 ARG HA H 3 4.324 4.324 4.734 -0.409 25439 3777 1 6 . 1 1 3 3 ARG CA C 3 56.226 56.226 55.484 0.742 25439 3778 1 6 . 1 1 3 3 ARG CB C 3 30.732 30.732 31.617 -0.885 25439 3779 1 6 . 1 1 3 3 ARG H H 3 8.428 8.428 8.204 0.224 25439 3780 1 6 . 1 1 4 4 ILE N N 4 122.500 122.500 120.297 2.203 25439 3781 1 6 . 1 1 4 4 ILE HA H 4 4.181 4.181 4.359 -0.178 25439 3782 1 6 . 1 1 4 4 ILE CA C 4 60.943 60.943 61.358 -0.415 25439 3783 1 6 . 1 1 4 4 ILE CB C 4 38.751 38.751 38.451 0.300 25439 3784 1 6 . 1 1 4 4 ILE H H 4 8.165 8.165 8.488 -0.323 25439 3785 1 6 . 1 1 5 5 LYS N N 5 126.237 126.237 122.069 4.168 25439 3786 1 6 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.664 -0.262 25439 3787 1 6 . 1 1 5 5 LYS CA C 5 56.422 56.422 55.817 0.605 25439 3788 1 6 . 1 1 5 5 LYS CB C 5 33.130 33.130 33.917 -0.787 25439 3789 1 6 . 1 1 5 5 LYS H H 5 8.500 8.500 7.880 0.620 25439 3790 1 6 . 1 1 6 6 THR N N 6 116.495 116.495 113.937 2.558 25439 3791 1 6 . 1 1 6 6 THR HA H 6 4.323 4.323 4.518 -0.195 25439 3792 1 6 . 1 1 6 6 THR CA C 6 61.918 61.918 62.049 -0.131 25439 3793 1 6 . 1 1 6 6 THR CB C 6 69.963 69.963 68.953 1.010 25439 3794 1 6 . 1 1 6 6 THR H H 6 8.194 8.194 8.385 -0.191 25439 3795 1 6 . 1 1 7 7 ARG N N 7 124.128 124.128 122.810 1.318 25439 3796 1 6 . 1 1 7 7 ARG HA H 7 4.396 4.396 4.880 -0.484 25439 3797 1 6 . 1 1 7 7 ARG CA C 7 56.128 56.128 55.581 0.547 25439 3798 1 6 . 1 1 7 7 ARG CB C 7 30.953 30.953 32.580 -1.627 25439 3799 1 6 . 1 1 7 7 ARG H H 7 8.458 8.458 8.680 -0.222 25439 3800 1 6 . 1 1 8 8 ARG N N 8 123.384 123.384 119.621 3.763 25439 3801 1 6 . 1 1 8 8 ARG HA H 8 4.424 4.424 4.820 -0.396 25439 3802 1 6 . 1 1 8 8 ARG CA C 8 56.011 56.011 55.310 0.701 25439 3803 1 6 . 1 1 8 8 ARG CB C 8 31.058 31.058 31.444 -0.386 25439 3804 1 6 . 1 1 8 8 ARG H H 8 8.526 8.526 8.707 -0.181 25439 3805 1 6 . 1 1 9 9 SER N N 9 118.446 118.446 115.330 3.116 25439 3806 1 6 . 1 1 9 9 SER HA H 9 4.473 4.473 4.935 -0.462 25439 3807 1 6 . 1 1 9 9 SER CA C 9 58.568 58.568 57.445 1.123 25439 3808 1 6 . 1 1 9 9 SER CB C 9 63.986 63.986 64.976 -0.990 25439 3809 1 6 . 1 1 9 9 SER H H 9 8.450 8.450 8.415 0.035 25439 3810 1 6 . 1 1 10 10 LYS N N 10 124.117 124.117 122.907 1.210 25439 3811 1 6 . 1 1 10 10 LYS HA H 10 4.673 4.673 4.768 -0.095 25439 3812 1 6 . 1 1 10 10 LYS CA C 10 54.412 54.412 54.236 0.176 25439 3813 1 6 . 1 1 10 10 LYS CB C 10 32.693 32.693 32.832 -0.139 25439 3814 1 6 . 1 1 10 10 LYS H H 10 8.426 8.426 8.310 0.116 25439 3815 1 6 . 1 1 11 11 PRO HA H 11 4.360 4.360 4.405 -0.045 25439 3816 1 6 . 1 1 11 11 PRO CA C 11 62.861 62.861 62.626 0.235 25439 3817 1 6 . 1 1 11 11 PRO CB C 11 32.106 32.106 32.022 0.084 25439 3818 1 6 . 1 1 12 12 ALA N N 12 124.420 124.420 120.735 3.685 25439 3819 1 6 . 1 1 12 12 ALA HA H 12 2.889 2.889 2.801 0.088 25439 3820 1 6 . 1 1 12 12 ALA CA C 12 49.735 49.735 50.845 -1.110 25439 3821 1 6 . 1 1 12 12 ALA CB C 12 18.066 18.066 16.562 1.504 25439 3822 1 6 . 1 1 12 12 ALA H H 12 7.890 7.890 7.781 0.109 25439 3823 1 6 . 1 1 13 13 PRO HA H 13 4.207 4.207 4.447 -0.240 25439 3824 1 6 . 1 1 13 13 PRO CA C 13 62.111 62.111 61.631 0.480 25439 3825 1 6 . 1 1 13 13 PRO CB C 13 32.582 32.582 32.338 0.244 25439 3826 1 6 . 1 1 14 14 ASP N N 14 119.535 119.535 120.059 -0.524 25439 3827 1 6 . 1 1 14 14 ASP HA H 14 4.379 4.379 4.287 0.092 25439 3828 1 6 . 1 1 14 14 ASP CA C 14 56.427 56.427 57.923 -1.496 25439 3829 1 6 . 1 1 14 14 ASP CB C 14 41.177 41.177 40.121 1.056 25439 3830 1 6 . 1 1 14 14 ASP H H 14 8.206 8.206 8.677 -0.471 25439 3831 1 6 . 1 1 15 15 GLY N N 15 113.273 113.273 108.286 4.987 25439 3832 1 6 . 1 1 15 15 GLY CA C 15 45.146 45.146 46.790 -1.644 25439 3833 1 6 . 1 1 15 15 GLY H H 15 8.723 8.723 8.496 0.227 25439 3834 1 6 . 1 1 16 16 PHE N N 16 123.113 123.113 122.800 0.313 25439 3835 1 6 . 1 1 16 16 PHE HA H 16 4.125 4.125 4.231 -0.106 25439 3836 1 6 . 1 1 16 16 PHE CA C 16 60.715 60.715 59.471 1.244 25439 3837 1 6 . 1 1 16 16 PHE CB C 16 39.639 39.639 39.103 0.536 25439 3838 1 6 . 1 1 16 16 PHE H H 16 8.127 8.127 8.300 -0.173 25439 3839 1 6 . 1 1 17 17 GLU N N 17 115.695 115.695 119.385 -3.690 25439 3840 1 6 . 1 1 17 17 GLU HA H 17 3.768 3.768 3.843 -0.075 25439 3841 1 6 . 1 1 17 17 GLU CA C 17 59.234 59.234 59.385 -0.151 25439 3842 1 6 . 1 1 17 17 GLU CB C 17 28.495 28.495 29.298 -0.803 25439 3843 1 6 . 1 1 17 17 GLU H H 17 9.088 9.088 8.041 1.047 25439 3844 1 6 . 1 1 18 18 LYS N N 18 115.887 115.887 117.436 -1.549 25439 3845 1 6 . 1 1 18 18 LYS HA H 18 4.165 4.165 4.063 0.102 25439 3846 1 6 . 1 1 18 18 LYS CA C 18 58.249 58.249 58.707 -0.458 25439 3847 1 6 . 1 1 18 18 LYS CB C 18 32.725 32.725 32.800 -0.075 25439 3848 1 6 . 1 1 18 18 LYS H H 18 7.285 7.285 7.814 -0.529 25439 3849 1 6 . 1 1 19 19 ILE N N 19 110.277 110.277 110.598 -0.321 25439 3850 1 6 . 1 1 19 19 ILE HA H 19 4.722 4.722 4.691 0.031 25439 3851 1 6 . 1 1 19 19 ILE CA C 19 61.093 61.093 60.003 1.090 25439 3852 1 6 . 1 1 19 19 ILE CB C 19 39.139 39.139 38.176 0.963 25439 3853 1 6 . 1 1 19 19 ILE H H 19 7.031 7.031 7.509 -0.478 25439 3854 1 6 . 1 1 20 20 LYS N N 20 124.540 124.540 122.467 2.073 25439 3855 1 6 . 1 1 20 20 LYS HA H 20 3.603 3.603 3.761 -0.158 25439 3856 1 6 . 1 1 20 20 LYS CA C 20 60.917 60.917 60.472 0.445 25439 3857 1 6 . 1 1 20 20 LYS CB C 20 30.210 30.210 30.706 -0.496 25439 3858 1 6 . 1 1 20 20 LYS H H 20 7.666 7.666 7.462 0.204 25439 3859 1 6 . 1 1 21 21 PRO HA H 21 4.292 4.292 4.512 -0.220 25439 3860 1 6 . 1 1 21 21 PRO CA C 21 66.990 66.990 65.187 1.803 25439 3861 1 6 . 1 1 21 21 PRO CB C 21 30.779 30.779 31.489 -0.710 25439 3862 1 6 . 1 1 22 22 THR N N 22 114.917 114.917 115.233 -0.316 25439 3863 1 6 . 1 1 22 22 THR HA H 22 3.866 3.866 4.056 -0.190 25439 3864 1 6 . 1 1 22 22 THR CA C 22 66.575 66.575 67.054 -0.479 25439 3865 1 6 . 1 1 22 22 THR CB C 22 68.731 68.731 68.317 0.414 25439 3866 1 6 . 1 1 22 22 THR H H 22 7.331 7.331 8.371 -1.040 25439 3867 1 6 . 1 1 23 23 LEU N N 23 120.152 120.152 120.531 -0.379 25439 3868 1 6 . 1 1 23 23 LEU HA H 23 4.397 4.397 4.000 0.397 25439 3869 1 6 . 1 1 23 23 LEU CA C 23 58.740 58.740 57.627 1.113 25439 3870 1 6 . 1 1 23 23 LEU CB C 23 40.489 40.489 42.032 -1.543 25439 3871 1 6 . 1 1 23 23 LEU H H 23 7.991 7.991 7.605 0.386 25439 3872 1 6 . 1 1 24 24 THR N N 24 119.365 119.365 115.664 3.701 25439 3873 1 6 . 1 1 24 24 THR HA H 24 4.095 4.095 3.891 0.204 25439 3874 1 6 . 1 1 24 24 THR CA C 24 66.834 66.834 67.257 -0.423 25439 3875 1 6 . 1 1 24 24 THR CB C 24 68.614 68.614 68.409 0.205 25439 3876 1 6 . 1 1 24 24 THR H H 24 9.175 9.175 7.661 1.514 25439 3877 1 6 . 1 1 25 25 ASP N N 25 122.865 122.865 121.427 1.438 25439 3878 1 6 . 1 1 25 25 ASP HA H 25 4.483 4.483 4.353 0.130 25439 3879 1 6 . 1 1 25 25 ASP CA C 25 58.158 58.158 57.146 1.012 25439 3880 1 6 . 1 1 25 25 ASP CB C 25 40.329 40.329 40.733 -0.404 25439 3881 1 6 . 1 1 25 25 ASP H H 25 7.714 7.714 7.776 -0.062 25439 3882 1 6 . 1 1 26 26 PHE N N 26 116.182 116.182 118.298 -2.116 25439 3883 1 6 . 1 1 26 26 PHE HA H 26 4.457 4.457 4.122 0.335 25439 3884 1 6 . 1 1 26 26 PHE CA C 26 62.531 62.531 62.102 0.429 25439 3885 1 6 . 1 1 26 26 PHE CB C 26 39.468 39.468 38.836 0.632 25439 3886 1 6 . 1 1 26 26 PHE H H 26 7.816 7.816 7.883 -0.067 25439 3887 1 6 . 1 1 27 27 GLU N N 27 120.107 120.107 119.390 0.717 25439 3888 1 6 . 1 1 27 27 GLU HA H 27 4.113 4.113 4.003 0.110 25439 3889 1 6 . 1 1 27 27 GLU CA C 27 59.852 59.852 59.805 0.047 25439 3890 1 6 . 1 1 27 27 GLU CB C 27 29.692 29.692 29.221 0.471 25439 3891 1 6 . 1 1 27 27 GLU H H 27 8.068 8.068 7.850 0.218 25439 3892 1 6 . 1 1 28 28 ILE N N 28 121.494 121.494 119.563 1.931 25439 3893 1 6 . 1 1 28 28 ILE HA H 28 3.718 3.718 3.711 0.007 25439 3894 1 6 . 1 1 28 28 ILE CA C 28 65.002 65.002 65.339 -0.337 25439 3895 1 6 . 1 1 28 28 ILE CB C 28 38.023 38.023 37.873 0.150 25439 3896 1 6 . 1 1 28 28 ILE H H 28 8.531 8.531 7.384 1.147 25439 3897 1 6 . 1 1 29 29 GLN N N 29 118.941 118.941 119.810 -0.869 25439 3898 1 6 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.007 0.173 25439 3899 1 6 . 1 1 29 29 GLN CA C 29 59.507 59.507 59.201 0.306 25439 3900 1 6 . 1 1 29 29 GLN CB C 29 29.783 29.783 28.816 0.967 25439 3901 1 6 . 1 1 29 29 GLN H H 29 8.117 8.117 7.393 0.724 25439 3902 1 6 . 1 1 30 30 LEU N N 30 121.724 121.724 120.933 0.791 25439 3903 1 6 . 1 1 30 30 LEU HA H 30 4.032 4.032 3.994 0.038 25439 3904 1 6 . 1 1 30 30 LEU CA C 30 58.333 58.333 58.557 -0.224 25439 3905 1 6 . 1 1 30 30 LEU CB C 30 42.339 42.339 42.008 0.331 25439 3906 1 6 . 1 1 30 30 LEU H H 30 8.677 8.677 8.728 -0.051 25439 3907 1 6 . 1 1 31 31 ARG N N 31 120.629 120.629 118.896 1.733 25439 3908 1 6 . 1 1 31 31 ARG HA H 31 4.105 4.105 3.975 0.130 25439 3909 1 6 . 1 1 31 31 ARG CA C 31 59.340 59.340 59.918 -0.578 25439 3910 1 6 . 1 1 31 31 ARG CB C 31 30.044 30.044 29.740 0.304 25439 3911 1 6 . 1 1 31 31 ARG H H 31 8.227 8.227 8.544 -0.317 25439 3912 1 6 . 1 1 32 32 ASP N N 32 120.233 120.233 119.670 0.563 25439 3913 1 6 . 1 1 32 32 ASP HA H 32 4.484 4.484 4.423 0.061 25439 3914 1 6 . 1 1 32 32 ASP CA C 32 57.199 57.199 57.501 -0.302 25439 3915 1 6 . 1 1 32 32 ASP CB C 32 40.202 40.202 40.313 -0.111 25439 3916 1 6 . 1 1 32 32 ASP H H 32 8.407 8.407 7.695 0.712 25439 3917 1 6 . 1 1 33 33 ALA N N 33 121.939 121.939 122.661 -0.722 25439 3918 1 6 . 1 1 33 33 ALA HA H 33 4.321 4.321 3.923 0.398 25439 3919 1 6 . 1 1 33 33 ALA CA C 33 54.207 54.207 55.060 -0.853 25439 3920 1 6 . 1 1 33 33 ALA CB C 33 18.738 18.738 18.581 0.157 25439 3921 1 6 . 1 1 33 33 ALA H H 33 8.057 8.057 7.387 0.670 25439 3922 1 6 . 1 1 34 34 GLN N N 34 114.736 114.736 117.492 -2.756 25439 3923 1 6 . 1 1 34 34 GLN HA H 34 4.248 4.248 4.020 0.228 25439 3924 1 6 . 1 1 34 34 GLN CA C 34 56.567 56.567 58.733 -2.166 25439 3925 1 6 . 1 1 34 34 GLN CB C 34 29.743 29.743 28.714 1.029 25439 3926 1 6 . 1 1 34 34 GLN H H 34 7.746 7.746 8.518 -0.772 25439 3927 1 6 . 1 1 35 35 LYS N N 35 120.534 120.534 117.122 3.412 25439 3928 1 6 . 1 1 35 35 LYS HA H 35 4.232 4.232 4.227 0.005 25439 3929 1 6 . 1 1 35 35 LYS CA C 35 57.427 57.427 57.491 -0.064 25439 3930 1 6 . 1 1 35 35 LYS CB C 35 32.887 32.887 32.335 0.552 25439 3931 1 6 . 1 1 35 35 LYS H H 35 7.570 7.570 7.794 -0.224 25439 3932 1 6 . 1 1 36 36 ASP N N 36 120.943 120.943 121.072 -0.129 25439 3933 1 6 . 1 1 36 36 ASP HA H 36 4.595 4.595 4.329 0.266 25439 3934 1 6 . 1 1 36 36 ASP CA C 36 54.983 54.983 57.462 -2.479 25439 3935 1 6 . 1 1 36 36 ASP CB C 36 41.129 41.129 40.509 0.620 25439 3936 1 6 . 1 1 36 36 ASP H H 36 8.375 8.375 7.970 0.405 25439 3937 1 6 . 1 1 37 37 LYS N N 37 122.598 122.598 118.558 4.040 25439 3938 1 6 . 1 1 37 37 LYS HA H 37 4.365 4.365 4.028 0.337 25439 3939 1 6 . 1 1 37 37 LYS CA C 37 56.725 56.725 58.144 -1.419 25439 3940 1 6 . 1 1 37 37 LYS CB C 37 32.823 32.823 32.551 0.272 25439 3941 1 6 . 1 1 37 37 LYS H H 37 8.446 8.446 7.474 0.972 25439 3942 1 6 . 1 1 38 38 SER N N 38 115.849 115.849 115.291 0.558 25439 3943 1 6 . 1 1 38 38 SER HA H 38 4.423 4.423 4.321 0.102 25439 3944 1 6 . 1 1 38 38 SER CA C 38 59.193 59.193 59.296 -0.103 25439 3945 1 6 . 1 1 38 38 SER CB C 38 63.744 63.744 63.761 -0.017 25439 3946 1 6 . 1 1 38 38 SER H H 38 8.392 8.392 7.797 0.595 25439 3947 1 6 . 1 1 39 39 SER N N 39 117.258 117.258 115.714 1.544 25439 3948 1 6 . 1 1 39 39 SER HA H 39 4.445 4.445 4.609 -0.164 25439 3949 1 6 . 1 1 39 39 SER CA C 39 58.933 58.933 57.742 1.191 25439 3950 1 6 . 1 1 39 39 SER CB C 39 63.711 63.711 64.115 -0.404 25439 3951 1 6 . 1 1 39 39 SER H H 39 8.283 8.283 8.147 0.136 25439 3952 1 6 . 1 1 40 40 LYS N N 40 122.427 122.427 121.396 1.031 25439 3953 1 6 . 1 1 40 40 LYS HA H 40 4.321 4.321 4.068 0.253 25439 3954 1 6 . 1 1 40 40 LYS CA C 40 56.847 56.847 57.444 -0.597 25439 3955 1 6 . 1 1 40 40 LYS CB C 40 32.764 32.764 31.690 1.074 25439 3956 1 6 . 1 1 40 40 LYS H H 40 8.263 8.263 8.640 -0.377 25439 3957 1 6 . 1 1 41 41 LEU N N 41 121.281 121.281 119.231 2.050 25439 3958 1 6 . 1 1 41 41 LEU HA H 41 4.308 4.308 4.424 -0.116 25439 3959 1 6 . 1 1 41 41 LEU CA C 41 55.335 55.335 55.956 -0.621 25439 3960 1 6 . 1 1 41 41 LEU CB C 41 42.212 42.212 43.401 -1.190 25439 3961 1 6 . 1 1 41 41 LEU H H 41 8.068 8.068 8.147 -0.079 25439 3962 1 6 . 1 1 42 42 ALA N N 42 123.964 123.964 120.792 3.172 25439 3963 1 6 . 1 1 42 42 ALA HA H 42 4.274 4.274 4.486 -0.212 25439 3964 1 6 . 1 1 42 42 ALA CA C 42 52.851 52.851 51.871 0.980 25439 3965 1 6 . 1 1 42 42 ALA CB C 42 19.135 19.135 20.527 -1.392 25439 3966 1 6 . 1 1 42 42 ALA H H 42 8.111 8.111 7.964 0.147 25439 3967 1 6 . 1 1 43 43 ALA N N 43 122.146 122.146 121.684 0.462 25439 3968 1 6 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.546 -0.249 25439 3969 1 6 . 1 1 43 43 ALA CA C 43 52.727 52.727 51.557 1.170 25439 3970 1 6 . 1 1 43 43 ALA CB C 43 19.318 19.318 20.073 -0.755 25439 3971 1 6 . 1 1 43 43 ALA H H 43 8.101 8.101 8.055 0.046 25439 3972 1 6 . 1 1 44 44 LYS N N 44 119.454 119.454 118.767 0.687 25439 3973 1 6 . 1 1 44 44 LYS HA H 44 4.349 4.349 3.980 0.369 25439 3974 1 6 . 1 1 44 44 LYS CA C 44 56.267 56.267 56.584 -0.317 25439 3975 1 6 . 1 1 44 44 LYS CB C 44 32.825 32.825 31.745 1.080 25439 3976 1 6 . 1 1 44 44 LYS H H 44 8.198 8.198 8.374 -0.176 25439 3977 1 6 . 1 1 45 45 SER N N 45 116.660 116.660 117.137 -0.477 25439 3978 1 6 . 1 1 45 45 SER HA H 45 4.368 4.368 4.266 0.102 25439 3979 1 6 . 1 1 45 45 SER CA C 45 58.477 58.477 59.393 -0.916 25439 3980 1 6 . 1 1 45 45 SER CB C 45 64.063 64.063 63.831 0.233 25439 3981 1 6 . 1 1 45 45 SER H H 45 8.251 8.251 8.337 -0.086 25439 3982 1 6 . 1 1 46 46 ASN N N 46 120.516 120.516 119.268 1.248 25439 3983 1 6 . 1 1 46 46 ASN HA H 46 4.361 4.361 4.265 0.096 25439 3984 1 6 . 1 1 46 46 ASN CA C 46 54.657 54.657 55.709 -1.052 25439 3985 1 6 . 1 1 46 46 ASN CB C 46 37.649 37.649 38.068 -0.419 25439 3986 1 6 . 1 1 46 46 ASN H H 46 8.498 8.498 8.505 -0.007 25439 3987 1 6 . 1 1 47 47 GLU N N 47 117.964 117.964 116.589 1.375 25439 3988 1 6 . 1 1 47 47 GLU HA H 47 3.350 3.350 3.209 0.141 25439 3989 1 6 . 1 1 47 47 GLU CA C 47 59.213 59.213 59.119 0.094 25439 3990 1 6 . 1 1 47 47 GLU CB C 47 28.998 28.998 29.129 -0.131 25439 3991 1 6 . 1 1 47 47 GLU H H 47 8.016 8.016 8.256 -0.240 25439 3992 1 6 . 1 1 48 48 GLN N N 48 119.468 119.468 119.234 0.234 25439 3993 1 6 . 1 1 48 48 GLN HA H 48 4.250 4.250 4.064 0.186 25439 3994 1 6 . 1 1 48 48 GLN CA C 48 58.529 58.529 58.417 0.112 25439 3995 1 6 . 1 1 48 48 GLN CB C 48 28.902 28.902 28.003 0.899 25439 3996 1 6 . 1 1 48 48 GLN H H 48 7.892 7.892 7.747 0.145 25439 3997 1 6 . 1 1 49 49 LEU N N 49 120.145 120.145 120.054 0.091 25439 3998 1 6 . 1 1 49 49 LEU HA H 49 4.232 4.232 3.958 0.274 25439 3999 1 6 . 1 1 49 49 LEU CA C 49 57.479 57.479 57.620 -0.141 25439 4000 1 6 . 1 1 49 49 LEU CB C 49 41.391 41.391 41.669 -0.279 25439 4001 1 6 . 1 1 49 49 LEU H H 49 7.699 7.699 7.829 -0.130 25439 4002 1 6 . 1 1 50 50 TRP N N 50 119.596 119.596 117.476 2.120 25439 4003 1 6 . 1 1 50 50 TRP HA H 50 4.520 4.520 4.518 0.002 25439 4004 1 6 . 1 1 50 50 TRP CA C 50 58.353 58.353 57.454 0.899 25439 4005 1 6 . 1 1 50 50 TRP CB C 50 28.880 28.880 27.993 0.887 25439 4006 1 6 . 1 1 50 50 TRP H H 50 8.385 8.385 7.549 0.836 25439 4007 1 6 . 1 1 51 51 GLU N N 51 119.362 119.362 119.329 0.033 25439 4008 1 6 . 1 1 51 51 GLU HA H 51 4.145 4.145 4.156 -0.011 25439 4009 1 6 . 1 1 51 51 GLU CA C 51 60.035 60.035 59.405 0.630 25439 4010 1 6 . 1 1 51 51 GLU CB C 51 29.675 29.675 28.998 0.677 25439 4011 1 6 . 1 1 51 51 GLU H H 51 8.223 8.223 7.842 0.381 25439 4012 1 6 . 1 1 52 52 ILE N N 52 119.018 119.018 119.874 -0.856 25439 4013 1 6 . 1 1 52 52 ILE HA H 52 3.673 3.673 3.695 -0.022 25439 4014 1 6 . 1 1 52 52 ILE CA C 52 65.511 65.511 65.385 0.126 25439 4015 1 6 . 1 1 52 52 ILE CB C 52 38.532 38.532 38.114 0.418 25439 4016 1 6 . 1 1 52 52 ILE H H 52 7.801 7.801 7.717 0.084 25439 4017 1 6 . 1 1 53 53 MET N N 53 118.133 118.133 116.784 1.349 25439 4018 1 6 . 1 1 53 53 MET HA H 53 4.452 4.452 4.109 0.343 25439 4019 1 6 . 1 1 53 53 MET CA C 53 58.216 58.216 58.591 -0.375 25439 4020 1 6 . 1 1 53 53 MET CB C 53 31.838 31.838 31.912 -0.074 25439 4021 1 6 . 1 1 53 53 MET H H 53 8.411 8.411 7.540 0.871 25439 4022 1 6 . 1 1 54 54 GLN N N 54 120.855 120.855 118.870 1.985 25439 4023 1 6 . 1 1 54 54 GLN HA H 54 4.333 4.333 4.043 0.290 25439 4024 1 6 . 1 1 54 54 GLN CA C 54 59.004 59.004 58.758 0.246 25439 4025 1 6 . 1 1 54 54 GLN CB C 54 27.824 27.824 28.834 -1.010 25439 4026 1 6 . 1 1 54 54 GLN H H 54 8.860 8.860 8.450 0.410 25439 4027 1 6 . 1 1 55 55 LEU N N 55 122.788 122.788 119.677 3.111 25439 4028 1 6 . 1 1 55 55 LEU HA H 55 4.302 4.302 4.150 0.152 25439 4029 1 6 . 1 1 55 55 LEU CA C 55 58.685 58.685 57.947 0.739 25439 4030 1 6 . 1 1 55 55 LEU CB C 55 42.695 42.695 41.803 0.892 25439 4031 1 6 . 1 1 55 55 LEU H H 55 8.298 8.298 8.223 0.075 25439 4032 1 6 . 1 1 56 56 HIS N N 56 118.426 118.426 117.990 0.436 25439 4033 1 6 . 1 1 56 56 HIS HA H 56 4.317 4.317 4.216 0.101 25439 4034 1 6 . 1 1 56 56 HIS CA C 56 60.732 60.732 60.332 0.400 25439 4035 1 6 . 1 1 56 56 HIS CB C 56 30.530 30.530 29.783 0.747 25439 4036 1 6 . 1 1 56 56 HIS H H 56 8.416 8.416 7.783 0.633 25439 4037 1 6 . 1 1 57 57 HIS N N 57 121.197 121.197 119.188 2.009 25439 4038 1 6 . 1 1 57 57 HIS HA H 57 4.318 4.318 4.562 -0.244 25439 4039 1 6 . 1 1 57 57 HIS CA C 57 60.739 60.739 58.883 1.856 25439 4040 1 6 . 1 1 57 57 HIS CB C 57 28.726 28.726 30.154 -1.428 25439 4041 1 6 . 1 1 57 57 HIS H H 57 8.608 8.608 8.313 0.295 25439 4042 1 6 . 1 1 58 58 GLN N N 58 118.739 118.739 118.706 0.033 25439 4043 1 6 . 1 1 58 58 GLN HA H 58 4.202 4.202 4.163 0.039 25439 4044 1 6 . 1 1 58 58 GLN CA C 58 59.507 59.507 59.349 0.158 25439 4045 1 6 . 1 1 58 58 GLN CB C 58 29.111 29.111 28.626 0.485 25439 4046 1 6 . 1 1 58 58 GLN H H 58 9.206 9.206 8.220 0.986 25439 4047 1 6 . 1 1 59 59 ARG N N 59 122.498 122.498 119.969 2.529 25439 4048 1 6 . 1 1 59 59 ARG HA H 59 3.437 3.437 3.703 -0.266 25439 4049 1 6 . 1 1 59 59 ARG CA C 59 60.361 60.361 59.849 0.512 25439 4050 1 6 . 1 1 59 59 ARG H H 59 8.623 8.623 8.064 0.559 25439 4051 1 6 . 1 1 60 60 SER N N 60 114.930 114.930 115.456 -0.526 25439 4052 1 6 . 1 1 60 60 SER HA H 60 4.515 4.515 4.328 0.187 25439 4053 1 6 . 1 1 60 60 SER CA C 60 64.832 64.832 62.171 2.661 25439 4054 1 6 . 1 1 60 60 SER CB C 60 63.583 63.583 63.358 0.225 25439 4055 1 6 . 1 1 60 60 SER H H 60 7.993 7.993 8.411 -0.418 25439 4056 1 6 . 1 1 61 61 ARG N N 61 124.417 124.417 122.717 1.700 25439 4057 1 6 . 1 1 61 61 ARG HA H 61 4.204 4.204 4.103 0.101 25439 4058 1 6 . 1 1 61 61 ARG CA C 61 58.852 58.852 58.776 0.076 25439 4059 1 6 . 1 1 61 61 ARG CB C 61 29.077 29.077 29.627 -0.550 25439 4060 1 6 . 1 1 61 61 ARG H H 61 9.569 9.569 8.353 1.216 25439 4061 1 6 . 1 1 62 62 TYR N N 62 124.484 124.484 121.034 3.450 25439 4062 1 6 . 1 1 62 62 TYR HA H 62 4.676 4.676 4.314 0.362 25439 4063 1 6 . 1 1 62 62 TYR CA C 62 61.006 61.006 62.160 -1.154 25439 4064 1 6 . 1 1 62 62 TYR CB C 62 38.392 38.392 38.711 -0.319 25439 4065 1 6 . 1 1 62 62 TYR H H 62 8.622 8.622 8.205 0.417 25439 4066 1 6 . 1 1 63 63 ILE N N 63 119.789 119.789 119.104 0.685 25439 4067 1 6 . 1 1 63 63 ILE HA H 63 3.492 3.492 3.742 -0.250 25439 4068 1 6 . 1 1 63 63 ILE CA C 63 65.693 65.693 65.638 0.055 25439 4069 1 6 . 1 1 63 63 ILE CB C 63 38.023 38.023 38.197 -0.174 25439 4070 1 6 . 1 1 63 63 ILE H H 63 7.588 7.588 8.443 -0.855 25439 4071 1 6 . 1 1 64 64 TYR N N 64 120.485 120.485 121.225 -0.740 25439 4072 1 6 . 1 1 64 64 TYR HA H 64 4.577 4.577 4.280 0.297 25439 4073 1 6 . 1 1 64 64 TYR CA C 64 61.759 61.759 62.502 -0.743 25439 4074 1 6 . 1 1 64 64 TYR CB C 64 39.772 39.772 38.769 1.003 25439 4075 1 6 . 1 1 64 64 TYR H H 64 9.166 9.166 9.208 -0.042 25439 4076 1 6 . 1 1 65 65 THR N N 65 117.072 117.072 117.150 -0.078 25439 4077 1 6 . 1 1 65 65 THR HA H 65 3.562 3.562 4.032 -0.470 25439 4078 1 6 . 1 1 65 65 THR CA C 65 67.016 67.016 67.751 -0.735 25439 4079 1 6 . 1 1 65 65 THR CB C 65 68.711 68.711 68.904 -0.193 25439 4080 1 6 . 1 1 65 65 THR H H 65 8.987 8.987 8.913 0.074 25439 4081 1 6 . 1 1 66 66 LEU N N 66 122.107 122.107 120.538 1.569 25439 4082 1 6 . 1 1 66 66 LEU HA H 66 3.782 3.782 4.259 -0.477 25439 4083 1 6 . 1 1 66 66 LEU CA C 66 58.476 58.476 58.157 0.319 25439 4084 1 6 . 1 1 66 66 LEU CB C 66 43.183 43.183 40.876 2.307 25439 4085 1 6 . 1 1 66 66 LEU H H 66 8.286 8.286 7.740 0.546 25439 4086 1 6 . 1 1 67 67 TYR N N 67 115.264 115.264 119.378 -4.114 25439 4087 1 6 . 1 1 67 67 TYR HA H 67 4.344 4.344 4.075 0.269 25439 4088 1 6 . 1 1 67 67 TYR CA C 67 60.830 60.830 61.336 -0.506 25439 4089 1 6 . 1 1 67 67 TYR CB C 67 40.376 40.376 39.595 0.781 25439 4090 1 6 . 1 1 67 67 TYR H H 67 7.983 7.983 8.244 -0.261 25439 4091 1 6 . 1 1 68 68 TYR N N 68 113.945 113.945 116.404 -2.459 25439 4092 1 6 . 1 1 68 68 TYR HA H 68 3.699 3.699 4.236 -0.537 25439 4093 1 6 . 1 1 68 68 TYR CA C 68 62.030 62.030 59.734 2.296 25439 4094 1 6 . 1 1 68 68 TYR CB C 68 38.046 38.046 38.244 -0.198 25439 4095 1 6 . 1 1 68 68 TYR H H 68 8.297 8.297 8.276 0.021 25439 4096 1 6 . 1 1 69 69 LYS N N 69 114.346 114.346 118.339 -3.993 25439 4097 1 6 . 1 1 69 69 LYS HA H 69 4.564 4.564 4.379 0.185 25439 4098 1 6 . 1 1 69 69 LYS CA C 69 56.821 56.821 56.816 0.005 25439 4099 1 6 . 1 1 69 69 LYS CB C 69 31.980 31.980 33.627 -1.647 25439 4100 1 6 . 1 1 69 69 LYS H H 69 7.084 7.084 7.610 -0.526 25439 4101 1 6 . 1 1 70 70 ARG N N 70 114.676 114.676 119.903 -5.227 25439 4102 1 6 . 1 1 70 70 ARG HA H 70 4.251 4.251 4.164 0.087 25439 4103 1 6 . 1 1 70 70 ARG CA C 70 56.314 56.314 57.007 -0.693 25439 4104 1 6 . 1 1 70 70 ARG CB C 70 31.128 31.128 30.549 0.580 25439 4105 1 6 . 1 1 70 70 ARG H H 70 8.178 8.178 8.274 -0.096 25439 4106 1 6 . 1 1 71 71 LYS N N 71 115.371 115.371 115.554 -0.183 25439 4107 1 6 . 1 1 71 71 LYS HA H 71 4.036 4.036 3.788 0.248 25439 4108 1 6 . 1 1 71 71 LYS CA C 71 57.121 57.121 57.239 -0.118 25439 4109 1 6 . 1 1 71 71 LYS CB C 71 28.897 28.897 30.344 -1.447 25439 4110 1 6 . 1 1 71 71 LYS H H 71 6.843 6.843 7.780 -0.937 25439 4111 1 6 . 1 1 72 72 ALA N N 72 117.701 117.701 120.898 -3.197 25439 4112 1 6 . 1 1 72 72 ALA HA H 72 4.395 4.395 4.473 -0.078 25439 4113 1 6 . 1 1 72 72 ALA CA C 72 52.597 52.597 51.989 0.608 25439 4114 1 6 . 1 1 72 72 ALA CB C 72 21.560 21.560 19.934 1.626 25439 4115 1 6 . 1 1 72 72 ALA H H 72 8.560 8.560 7.699 0.861 25439 4116 1 6 . 1 1 73 73 ILE N N 73 107.605 107.605 117.468 -9.863 25439 4117 1 6 . 1 1 73 73 ILE CB C 73 42.724 42.724 41.570 1.154 25439 4118 1 6 . 1 1 73 73 ILE H H 73 7.074 7.074 7.351 -0.277 25439 4119 1 6 . 1 1 74 74 SER N N 74 118.425 118.425 118.577 -0.152 25439 4120 1 6 . 1 1 74 74 SER HA H 74 4.484 4.484 4.886 -0.402 25439 4121 1 6 . 1 1 74 74 SER CA C 74 57.082 57.082 56.957 0.125 25439 4122 1 6 . 1 1 74 74 SER CB C 74 65.396 65.396 65.846 -0.450 25439 4123 1 6 . 1 1 74 74 SER H H 74 8.797 8.797 8.357 0.440 25439 4124 1 6 . 1 1 75 75 LYS N N 75 121.891 121.891 124.399 -2.508 25439 4125 1 6 . 1 1 75 75 LYS HA H 75 3.851 3.851 4.206 -0.355 25439 4126 1 6 . 1 1 75 75 LYS CA C 75 59.624 59.624 59.957 -0.333 25439 4127 1 6 . 1 1 75 75 LYS CB C 75 32.368 32.368 32.453 -0.085 25439 4128 1 6 . 1 1 75 75 LYS H H 75 9.024 9.024 9.159 -0.135 25439 4129 1 6 . 1 1 76 76 ASP N N 76 115.908 115.908 119.759 -3.851 25439 4130 1 6 . 1 1 76 76 ASP HA H 76 4.423 4.423 4.393 0.030 25439 4131 1 6 . 1 1 76 76 ASP CA C 76 57.362 57.362 57.607 -0.245 25439 4132 1 6 . 1 1 76 76 ASP CB C 76 40.391 40.391 40.679 -0.288 25439 4133 1 6 . 1 1 76 76 ASP H H 76 8.161 8.161 7.775 0.386 25439 4134 1 6 . 1 1 77 77 LEU N N 77 121.705 121.705 121.291 0.414 25439 4135 1 6 . 1 1 77 77 LEU HA H 77 4.180 4.180 4.089 0.091 25439 4136 1 6 . 1 1 77 77 LEU CA C 77 57.818 57.818 57.902 -0.084 25439 4137 1 6 . 1 1 77 77 LEU H H 77 8.345 8.345 7.547 0.798 25439 4138 1 6 . 1 1 78 78 TYR N N 78 121.511 121.511 119.750 1.761 25439 4139 1 6 . 1 1 78 78 TYR HA H 78 3.789 3.789 3.976 -0.187 25439 4140 1 6 . 1 1 78 78 TYR CA C 78 62.857 62.857 60.488 2.369 25439 4141 1 6 . 1 1 78 78 TYR CB C 78 38.369 38.369 37.750 0.619 25439 4142 1 6 . 1 1 78 78 TYR H H 78 8.598 8.598 8.578 0.020 25439 4143 1 6 . 1 1 79 79 ASP N N 79 117.189 117.189 119.857 -2.668 25439 4144 1 6 . 1 1 79 79 ASP HA H 79 4.066 4.066 3.985 0.081 25439 4145 1 6 . 1 1 79 79 ASP CA C 79 57.219 57.219 57.648 -0.429 25439 4146 1 6 . 1 1 79 79 ASP CB C 79 40.003 40.003 40.695 -0.692 25439 4147 1 6 . 1 1 79 79 ASP H H 79 9.106 9.106 8.624 0.482 25439 4148 1 6 . 1 1 80 80 TRP N N 80 123.400 123.400 121.522 1.878 25439 4149 1 6 . 1 1 80 80 TRP HA H 80 4.160 4.160 4.136 0.024 25439 4150 1 6 . 1 1 80 80 TRP CA C 80 62.368 62.368 61.464 0.904 25439 4151 1 6 . 1 1 80 80 TRP CB C 80 29.969 29.969 29.395 0.574 25439 4152 1 6 . 1 1 80 80 TRP H H 80 7.931 7.931 8.394 -0.463 25439 4153 1 6 . 1 1 81 81 LEU N N 81 119.674 119.674 118.768 0.906 25439 4154 1 6 . 1 1 81 81 LEU HA H 81 3.971 3.971 2.753 1.218 25439 4155 1 6 . 1 1 81 81 LEU CA C 81 58.294 58.294 57.596 0.698 25439 4156 1 6 . 1 1 81 81 LEU CB C 81 41.818 41.818 41.581 0.237 25439 4157 1 6 . 1 1 81 81 LEU H H 81 8.814 8.814 7.688 1.126 25439 4158 1 6 . 1 1 82 82 ILE N N 82 118.746 118.746 118.792 -0.046 25439 4159 1 6 . 1 1 82 82 ILE HA H 82 3.861 3.861 3.735 0.126 25439 4160 1 6 . 1 1 82 82 ILE CA C 82 62.734 62.734 62.937 -0.203 25439 4161 1 6 . 1 1 82 82 ILE CB C 82 36.236 36.236 36.377 -0.141 25439 4162 1 6 . 1 1 82 82 ILE H H 82 7.886 7.886 7.603 0.283 25439 4163 1 6 . 1 1 83 83 LYS N N 83 124.819 124.819 118.911 5.908 25439 4164 1 6 . 1 1 83 83 LYS HA H 83 3.911 3.911 4.112 -0.201 25439 4165 1 6 . 1 1 83 83 LYS CA C 83 59.643 59.643 57.790 1.853 25439 4166 1 6 . 1 1 83 83 LYS CB C 83 32.027 32.027 32.890 -0.863 25439 4167 1 6 . 1 1 83 83 LYS H H 83 8.224 8.224 7.614 0.610 25439 4168 1 6 . 1 1 84 84 GLU N N 84 115.404 115.404 118.120 -2.716 25439 4169 1 6 . 1 1 84 84 GLU HA H 84 3.841 3.841 4.295 -0.454 25439 4170 1 6 . 1 1 84 84 GLU CA C 84 55.582 55.582 54.939 0.643 25439 4171 1 6 . 1 1 84 84 GLU CB C 84 29.459 29.459 28.709 0.750 25439 4172 1 6 . 1 1 84 84 GLU H H 84 8.138 8.138 7.195 0.943 25439 4173 1 6 . 1 1 85 85 LYS N N 85 111.563 111.563 118.739 -7.176 25439 4174 1 6 . 1 1 85 85 LYS HA H 85 3.820 3.820 4.018 -0.198 25439 4175 1 6 . 1 1 85 85 LYS CA C 85 57.890 57.890 57.152 0.738 25439 4176 1 6 . 1 1 85 85 LYS CB C 85 28.005 28.005 30.217 -2.212 25439 4177 1 6 . 1 1 85 85 LYS H H 85 7.719 7.719 7.819 -0.100 25439 4178 1 6 . 1 1 86 86 TYR N N 86 116.916 116.916 118.720 -1.804 25439 4179 1 6 . 1 1 86 86 TYR HA H 86 4.137 4.137 4.407 -0.270 25439 4180 1 6 . 1 1 86 86 TYR CA C 86 61.228 61.228 58.929 2.299 25439 4181 1 6 . 1 1 86 86 TYR CB C 86 39.535 39.535 40.774 -1.239 25439 4182 1 6 . 1 1 86 86 TYR H H 86 8.521 8.521 7.886 0.635 25439 4183 1 6 . 1 1 87 87 ALA N N 87 113.715 113.715 118.933 -5.218 25439 4184 1 6 . 1 1 87 87 ALA HA H 87 4.738 4.738 4.353 0.385 25439 4185 1 6 . 1 1 87 87 ALA CA C 87 49.121 49.121 50.664 -1.543 25439 4186 1 6 . 1 1 87 87 ALA CB C 87 23.295 23.295 21.424 1.871 25439 4187 1 6 . 1 1 87 87 ALA H H 87 6.959 6.959 7.581 -0.622 25439 4188 1 6 . 1 1 88 88 ASP N N 88 119.344 119.344 119.521 -0.177 25439 4189 1 6 . 1 1 88 88 ASP HA H 88 4.544 4.544 4.960 -0.416 25439 4190 1 6 . 1 1 88 88 ASP CA C 88 52.714 52.714 53.372 -0.658 25439 4191 1 6 . 1 1 88 88 ASP CB C 88 41.845 41.845 42.335 -0.490 25439 4192 1 6 . 1 1 88 88 ASP H H 88 7.870 7.870 8.747 -0.877 25439 4193 1 6 . 1 1 89 89 LYS N N 89 125.312 125.312 126.257 -0.945 25439 4194 1 6 . 1 1 89 89 LYS HA H 89 3.834 3.834 4.099 -0.265 25439 4195 1 6 . 1 1 89 89 LYS CA C 89 59.409 59.409 59.895 -0.486 25439 4196 1 6 . 1 1 89 89 LYS CB C 89 32.848 32.848 32.582 0.266 25439 4197 1 6 . 1 1 89 89 LYS H H 89 8.467 8.467 8.751 -0.284 25439 4198 1 6 . 1 1 90 90 LEU N N 90 119.899 119.899 119.911 -0.012 25439 4199 1 6 . 1 1 90 90 LEU HA H 90 4.023 4.023 4.026 -0.003 25439 4200 1 6 . 1 1 90 90 LEU CA C 90 57.049 57.049 57.979 -0.930 25439 4201 1 6 . 1 1 90 90 LEU CB C 90 41.099 41.099 41.673 -0.574 25439 4202 1 6 . 1 1 90 90 LEU H H 90 8.076 8.076 7.920 0.156 25439 4203 1 6 . 1 1 91 91 LEU N N 91 123.148 123.148 120.113 3.035 25439 4204 1 6 . 1 1 91 91 LEU HA H 91 3.498 3.498 3.772 -0.274 25439 4205 1 6 . 1 1 91 91 LEU CA C 91 56.971 56.971 57.667 -0.696 25439 4206 1 6 . 1 1 91 91 LEU CB C 91 41.823 41.823 41.711 0.112 25439 4207 1 6 . 1 1 91 91 LEU H H 91 7.120 7.120 7.435 -0.315 25439 4208 1 6 . 1 1 92 92 ILE N N 92 116.780 116.780 118.661 -1.881 25439 4209 1 6 . 1 1 92 92 ILE HA H 92 3.265 3.265 3.932 -0.667 25439 4210 1 6 . 1 1 92 92 ILE CA C 92 65.178 65.178 65.385 -0.206 25439 4211 1 6 . 1 1 92 92 ILE CB C 92 38.209 38.209 37.840 0.369 25439 4212 1 6 . 1 1 92 92 ILE H H 92 7.384 7.384 8.300 -0.916 25439 4213 1 6 . 1 1 93 93 ALA N N 93 117.061 117.061 122.324 -5.263 25439 4214 1 6 . 1 1 93 93 ALA HA H 93 3.930 3.930 4.058 -0.128 25439 4215 1 6 . 1 1 93 93 ALA CA C 93 54.839 54.839 55.370 -0.531 25439 4216 1 6 . 1 1 93 93 ALA CB C 93 18.125 18.125 18.157 -0.032 25439 4217 1 6 . 1 1 93 93 ALA H H 93 7.437 7.437 8.479 -1.042 25439 4218 1 6 . 1 1 94 94 LYS N N 94 116.036 116.036 118.814 -2.778 25439 4219 1 6 . 1 1 94 94 LYS HA H 94 3.803 3.803 3.704 0.099 25439 4220 1 6 . 1 1 94 94 LYS CA C 94 56.945 56.945 59.170 -2.225 25439 4221 1 6 . 1 1 94 94 LYS CB C 94 31.047 31.047 31.855 -0.808 25439 4222 1 6 . 1 1 94 94 LYS H H 94 7.012 7.012 7.617 -0.605 25439 4223 1 6 . 1 1 95 95 TRP N N 95 118.700 118.700 116.141 2.559 25439 4224 1 6 . 1 1 95 95 TRP HA H 95 4.814 4.814 4.552 0.262 25439 4225 1 6 . 1 1 95 95 TRP CA C 95 57.136 57.136 59.114 -1.978 25439 4226 1 6 . 1 1 95 95 TRP CB C 95 28.171 28.171 29.057 -0.886 25439 4227 1 6 . 1 1 95 95 TRP H H 95 7.611 7.611 7.687 -0.076 25439 4228 1 6 . 1 1 96 96 ARG N N 96 113.031 113.031 117.187 -4.156 25439 4229 1 6 . 1 1 96 96 ARG HA H 96 4.233 4.233 4.367 -0.134 25439 4230 1 6 . 1 1 96 96 ARG CA C 96 56.234 56.234 57.170 -0.936 25439 4231 1 6 . 1 1 96 96 ARG CB C 96 30.245 30.245 30.632 -0.387 25439 4232 1 6 . 1 1 96 96 ARG H H 96 7.066 7.066 7.569 -0.503 25439 4233 1 6 . 1 1 97 97 LYS N N 97 123.252 123.252 120.333 2.919 25439 4234 1 6 . 1 1 97 97 LYS HA H 97 4.634 4.634 4.229 0.405 25439 4235 1 6 . 1 1 97 97 LYS CA C 97 54.937 54.937 57.654 -2.716 25439 4236 1 6 . 1 1 97 97 LYS CB C 97 34.166 34.166 33.057 1.109 25439 4237 1 6 . 1 1 97 97 LYS H H 97 8.467 8.467 7.859 0.608 25439 4238 1 6 . 1 1 98 98 THR N N 98 119.993 119.993 114.072 5.921 25439 4239 1 6 . 1 1 98 98 THR HA H 98 4.224 4.224 4.464 -0.240 25439 4240 1 6 . 1 1 98 98 THR CA C 98 64.670 64.670 61.754 2.916 25439 4241 1 6 . 1 1 98 98 THR CB C 98 69.200 69.200 69.551 -0.351 25439 4242 1 6 . 1 1 98 98 THR H H 98 8.329 8.329 8.082 0.247 25439 4243 1 6 . 1 1 99 99 GLY N N 99 116.645 116.645 113.892 2.753 25439 4244 1 6 . 1 1 99 99 GLY CA C 99 45.047 45.047 44.880 0.167 25439 4245 1 6 . 1 1 99 99 GLY H H 99 9.273 9.273 8.685 0.588 25439 4246 1 6 . 1 1 100 100 TYR N N 100 120.784 120.784 122.230 -1.446 25439 4247 1 6 . 1 1 100 100 TYR HA H 100 4.704 4.704 4.623 0.081 25439 4248 1 6 . 1 1 100 100 TYR CA C 100 57.697 57.697 56.716 0.981 25439 4249 1 6 . 1 1 100 100 TYR CB C 100 39.413 39.413 36.057 3.356 25439 4250 1 6 . 1 1 100 100 TYR H H 100 8.457 8.457 8.138 0.319 25439 4251 1 6 . 1 1 101 101 GLU N N 101 119.482 119.482 121.092 -1.610 25439 4252 1 6 . 1 1 101 101 GLU HA H 101 4.601 4.601 4.448 0.153 25439 4253 1 6 . 1 1 101 101 GLU CA C 101 61.207 61.207 57.778 3.429 25439 4254 1 6 . 1 1 101 101 GLU CB C 101 29.648 29.648 30.395 -0.747 25439 4255 1 6 . 1 1 101 101 GLU H H 101 9.836 9.836 7.900 1.936 25439 4256 1 6 . 1 1 102 102 LYS N N 102 115.179 115.179 120.428 -5.249 25439 4257 1 6 . 1 1 102 102 LYS HA H 102 4.295 4.295 4.632 -0.337 25439 4258 1 6 . 1 1 102 102 LYS CA C 102 54.207 54.207 55.589 -1.381 25439 4259 1 6 . 1 1 102 102 LYS CB C 102 32.489 32.489 32.517 -0.028 25439 4260 1 6 . 1 1 102 102 LYS H H 102 8.291 8.291 8.271 0.020 25439 4261 1 6 . 1 1 103 103 LEU N N 103 119.637 119.637 117.470 2.167 25439 4262 1 6 . 1 1 103 103 LEU HA H 103 4.385 4.385 4.959 -0.574 25439 4263 1 6 . 1 1 103 103 LEU CA C 103 56.549 56.549 53.825 2.724 25439 4264 1 6 . 1 1 103 103 LEU CB C 103 43.864 43.864 44.428 -0.564 25439 4265 1 6 . 1 1 103 103 LEU H H 103 7.642 7.642 7.714 -0.072 25439 4266 1 6 . 1 1 104 104 CYS N N 104 129.651 129.651 116.797 12.854 25439 4267 1 6 . 1 1 104 104 CYS HA H 104 4.498 4.498 4.953 -0.455 25439 4268 1 6 . 1 1 104 104 CYS CA C 104 58.076 58.076 58.462 -0.386 25439 4269 1 6 . 1 1 104 104 CYS CB C 104 32.301 32.301 28.180 4.121 25439 4270 1 6 . 1 1 104 104 CYS H H 104 8.638 8.638 8.819 -0.181 25439 4271 1 6 . 1 1 105 105 CYS N N 105 120.206 120.206 117.973 2.233 25439 4272 1 6 . 1 1 105 105 CYS HA H 105 4.806 4.806 4.833 -0.027 25439 4273 1 6 . 1 1 105 105 CYS CA C 105 58.271 58.271 56.961 1.310 25439 4274 1 6 . 1 1 105 105 CYS CB C 105 32.062 32.062 30.228 1.834 25439 4275 1 6 . 1 1 105 105 CYS H H 105 8.158 8.158 7.926 0.232 25439 4276 1 6 . 1 1 106 106 LEU N N 106 115.513 115.513 120.839 -5.326 25439 4277 1 6 . 1 1 106 106 LEU HA H 106 4.054 4.054 4.265 -0.211 25439 4278 1 6 . 1 1 106 106 LEU CA C 106 56.110 56.110 56.825 -0.715 25439 4279 1 6 . 1 1 106 106 LEU CB C 106 41.227 41.227 42.306 -1.079 25439 4280 1 6 . 1 1 106 106 LEU H H 106 8.466 8.466 8.313 0.153 25439 4281 1 6 . 1 1 107 107 ARG N N 107 122.711 122.711 118.667 4.044 25439 4282 1 6 . 1 1 107 107 ARG HA H 107 3.993 3.993 4.312 -0.319 25439 4283 1 6 . 1 1 107 107 ARG CA C 107 58.311 58.311 56.178 2.133 25439 4284 1 6 . 1 1 107 107 ARG CB C 107 28.965 28.965 28.849 0.116 25439 4285 1 6 . 1 1 107 107 ARG H H 107 8.131 8.131 8.183 -0.052 25439 4286 1 6 . 1 1 108 108 CYS N N 108 119.055 119.055 118.055 1.000 25439 4287 1 6 . 1 1 108 108 CYS HA H 108 4.101 4.101 4.740 -0.639 25439 4288 1 6 . 1 1 108 108 CYS CA C 108 63.936 63.936 57.386 6.550 25439 4289 1 6 . 1 1 108 108 CYS CB C 108 30.934 30.934 27.098 3.836 25439 4290 1 6 . 1 1 108 108 CYS H H 108 8.010 8.010 7.900 0.110 25439 4291 1 6 . 1 1 109 109 ILE N N 109 107.315 107.315 113.124 -5.809 25439 4292 1 6 . 1 1 109 109 ILE HA H 109 4.684 4.684 4.448 0.236 25439 4293 1 6 . 1 1 109 109 ILE CA C 109 60.483 60.483 61.087 -0.604 25439 4294 1 6 . 1 1 109 109 ILE CB C 109 38.320 38.320 38.853 -0.533 25439 4295 1 6 . 1 1 109 109 ILE H H 109 7.105 7.105 7.503 -0.398 25439 4296 1 6 . 1 1 110 110 GLN N N 110 122.468 122.468 121.578 0.890 25439 4297 1 6 . 1 1 110 110 GLN HA H 110 4.268 4.268 4.500 -0.232 25439 4298 1 6 . 1 1 110 110 GLN CA C 110 55.981 55.981 54.850 1.131 25439 4299 1 6 . 1 1 110 110 GLN CB C 110 29.656 29.656 29.320 0.336 25439 4300 1 6 . 1 1 110 110 GLN H H 110 7.156 7.156 8.266 -1.110 25439 4301 1 6 . 1 1 111 111 LYS N N 111 124.650 124.650 125.400 -0.750 25439 4302 1 6 . 1 1 111 111 LYS HA H 111 4.246 4.246 4.768 -0.522 25439 4303 1 6 . 1 1 111 111 LYS CA C 111 56.546 56.546 55.283 1.263 25439 4304 1 6 . 1 1 111 111 LYS CB C 111 32.846 32.846 34.620 -1.774 25439 4305 1 6 . 1 1 111 111 LYS H H 111 8.522 8.522 8.264 0.258 25439 4306 1 6 . 1 1 112 112 ASN N N 112 120.972 120.972 118.032 2.940 25439 4307 1 6 . 1 1 112 112 ASN HA H 112 4.778 4.778 4.949 -0.171 25439 4308 1 6 . 1 1 112 112 ASN CA C 112 52.902 52.902 52.958 -0.056 25439 4309 1 6 . 1 1 112 112 ASN CB C 112 39.328 39.328 40.381 -1.053 25439 4310 1 6 . 1 1 112 112 ASN H H 112 8.360 8.360 8.539 -0.179 25439 4311 1 6 . 1 1 113 113 GLU N N 113 121.710 121.710 120.341 1.369 25439 4312 1 6 . 1 1 113 113 GLU HA H 113 4.248 4.248 4.661 -0.413 25439 4313 1 6 . 1 1 113 113 GLU CA C 113 58.611 58.611 55.936 2.675 25439 4314 1 6 . 1 1 113 113 GLU CB C 113 29.590 29.590 29.956 -0.366 25439 4315 1 6 . 1 1 113 113 GLU H H 113 9.023 9.023 8.828 0.195 25439 4316 1 6 . 1 1 114 114 THR N N 114 112.186 112.186 113.128 -0.942 25439 4317 1 6 . 1 1 114 114 THR HA H 114 4.321 4.321 4.411 -0.090 25439 4318 1 6 . 1 1 114 114 THR CA C 114 63.161 63.161 62.262 0.899 25439 4319 1 6 . 1 1 114 114 THR CB C 114 69.481 69.481 69.284 0.198 25439 4320 1 6 . 1 1 114 114 THR H H 114 8.112 8.112 7.997 0.115 25439 4321 1 6 . 1 1 115 115 ASN N N 115 119.112 119.112 118.921 0.191 25439 4322 1 6 . 1 1 115 115 ASN HA H 115 4.829 4.829 5.013 -0.184 25439 4323 1 6 . 1 1 115 115 ASN CA C 115 53.110 53.110 52.330 0.780 25439 4324 1 6 . 1 1 115 115 ASN CB C 115 38.659 38.659 39.494 -0.835 25439 4325 1 6 . 1 1 115 115 ASN H H 115 8.047 8.047 7.928 0.119 25439 4326 1 6 . 1 1 116 116 ASN N N 116 117.175 117.175 118.338 -1.163 25439 4327 1 6 . 1 1 116 116 ASN HA H 116 4.615 4.615 4.865 -0.250 25439 4328 1 6 . 1 1 116 116 ASN CA C 116 53.965 53.965 52.753 1.212 25439 4329 1 6 . 1 1 116 116 ASN CB C 116 38.173 38.173 38.562 -0.389 25439 4330 1 6 . 1 1 116 116 ASN H H 116 8.364 8.364 8.609 -0.245 25439 4331 1 6 . 1 1 117 117 GLY N N 117 107.294 107.294 109.678 -2.384 25439 4332 1 6 . 1 1 117 117 GLY CA C 117 45.882 45.882 45.113 0.769 25439 4333 1 6 . 1 1 117 117 GLY H H 117 8.264 8.264 8.312 -0.048 25439 4334 1 6 . 1 1 118 118 SER N N 118 115.475 115.475 116.820 -1.345 25439 4335 1 6 . 1 1 118 118 SER HA H 118 4.586 4.586 4.701 -0.115 25439 4336 1 6 . 1 1 118 118 SER CA C 118 57.974 57.974 57.879 0.095 25439 4337 1 6 . 1 1 118 118 SER CB C 118 64.479 64.479 63.789 0.690 25439 4338 1 6 . 1 1 118 118 SER H H 118 7.905 7.905 8.540 -0.635 25439 4339 1 6 . 1 1 119 119 THR N N 119 111.360 111.360 117.362 -6.002 25439 4340 1 6 . 1 1 119 119 THR HA H 119 4.450 4.450 4.630 -0.180 25439 4341 1 6 . 1 1 119 119 THR CA C 119 61.215 61.215 61.011 0.204 25439 4342 1 6 . 1 1 119 119 THR CB C 119 70.569 70.569 71.452 -0.883 25439 4343 1 6 . 1 1 119 119 THR H H 119 8.044 8.044 7.923 0.121 25439 4344 1 6 . 1 1 120 120 CYS N N 120 122.708 122.708 120.800 1.908 25439 4345 1 6 . 1 1 120 120 CYS HA H 120 4.255 4.255 4.750 -0.495 25439 4346 1 6 . 1 1 120 120 CYS CA C 120 61.469 61.469 57.573 3.896 25439 4347 1 6 . 1 1 120 120 CYS CB C 120 30.892 30.892 29.334 1.558 25439 4348 1 6 . 1 1 120 120 CYS H H 120 8.045 8.045 8.528 -0.483 25439 4349 1 6 . 1 1 121 121 ILE N N 121 132.463 132.463 123.800 8.663 25439 4350 1 6 . 1 1 121 121 ILE HA H 121 4.025 4.025 3.888 0.137 25439 4351 1 6 . 1 1 121 121 ILE CA C 121 63.353 63.353 62.959 0.394 25439 4352 1 6 . 1 1 121 121 ILE CB C 121 38.222 38.222 37.774 0.448 25439 4353 1 6 . 1 1 121 121 ILE H H 121 8.237 8.237 8.447 -0.210 25439 4354 1 6 . 1 1 122 122 CYS N N 122 123.931 123.931 117.940 5.991 25439 4355 1 6 . 1 1 122 122 CYS HA H 122 4.233 4.233 3.808 0.425 25439 4356 1 6 . 1 1 122 122 CYS CA C 122 60.230 60.230 60.405 -0.175 25439 4357 1 6 . 1 1 122 122 CYS CB C 122 30.602 30.602 25.785 4.817 25439 4358 1 6 . 1 1 122 122 CYS H H 122 9.355 9.355 7.493 1.862 25439 4359 1 6 . 1 1 123 123 ARG N N 123 119.561 119.561 120.574 -1.013 25439 4360 1 6 . 1 1 123 123 ARG HA H 123 4.150 4.150 4.324 -0.174 25439 4361 1 6 . 1 1 123 123 ARG CA C 123 53.177 53.177 58.269 -5.092 25439 4362 1 6 . 1 1 123 123 ARG CB C 123 27.961 27.961 30.292 -2.331 25439 4363 1 6 . 1 1 123 123 ARG H H 123 7.677 7.677 7.869 -0.192 25439 4364 1 6 . 1 1 124 124 VAL N N 124 122.794 122.794 121.246 1.548 25439 4365 1 6 . 1 1 124 124 VAL HA H 124 4.081 4.081 4.119 -0.038 25439 4366 1 6 . 1 1 124 124 VAL CA C 124 60.647 60.647 59.772 0.875 25439 4367 1 6 . 1 1 124 124 VAL CB C 124 32.857 32.857 30.897 1.960 25439 4368 1 6 . 1 1 124 124 VAL H H 124 7.578 7.578 7.307 0.271 25439 4369 1 6 . 1 1 125 125 PRO HA H 125 4.263 4.263 4.550 -0.287 25439 4370 1 6 . 1 1 125 125 PRO CA C 125 63.268 63.268 62.273 0.995 25439 4371 1 6 . 1 1 125 125 PRO CB C 125 32.379 32.379 32.867 -0.488 25439 4372 1 6 . 1 1 126 126 ARG N N 126 128.350 128.350 120.987 7.363 25439 4373 1 6 . 1 1 126 126 ARG HA H 126 3.912 3.912 4.035 -0.123 25439 4374 1 6 . 1 1 126 126 ARG CA C 126 59.653 59.653 59.254 0.399 25439 4375 1 6 . 1 1 126 126 ARG CB C 126 29.339 29.339 29.612 -0.273 25439 4376 1 6 . 1 1 126 126 ARG H H 126 9.534 9.534 8.926 0.608 25439 4377 1 6 . 1 1 127 127 ALA N N 127 119.169 119.169 121.265 -2.096 25439 4378 1 6 . 1 1 127 127 ALA HA H 127 4.192 4.192 3.976 0.216 25439 4379 1 6 . 1 1 127 127 ALA CA C 127 55.227 55.227 55.102 0.124 25439 4380 1 6 . 1 1 127 127 ALA CB C 127 18.363 18.363 17.779 0.585 25439 4381 1 6 . 1 1 127 127 ALA H H 127 9.263 9.263 8.525 0.738 25439 4382 1 6 . 1 1 128 128 GLN N N 128 117.345 117.345 118.273 -0.928 25439 4383 1 6 . 1 1 128 128 GLN HA H 128 4.209 4.209 4.077 0.132 25439 4384 1 6 . 1 1 128 128 GLN CA C 128 58.506 58.506 58.651 -0.145 25439 4385 1 6 . 1 1 128 128 GLN CB C 128 28.220 28.220 28.524 -0.304 25439 4386 1 6 . 1 1 128 128 GLN H H 128 7.448 7.448 8.043 -0.595 25439 4387 1 6 . 1 1 129 129 LEU N N 129 120.561 120.561 120.560 0.001 25439 4388 1 6 . 1 1 129 129 LEU HA H 129 4.088 4.088 4.033 0.055 25439 4389 1 6 . 1 1 129 129 LEU CA C 129 57.952 57.952 57.618 0.334 25439 4390 1 6 . 1 1 129 129 LEU CB C 129 41.817 41.817 41.906 -0.089 25439 4391 1 6 . 1 1 129 129 LEU H H 129 7.622 7.622 7.625 -0.003 25439 4392 1 6 . 1 1 130 130 GLU N N 130 119.122 119.122 118.442 0.680 25439 4393 1 6 . 1 1 130 130 GLU HA H 130 3.956 3.956 3.941 0.015 25439 4394 1 6 . 1 1 130 130 GLU CA C 130 59.353 59.353 59.827 -0.474 25439 4395 1 6 . 1 1 130 130 GLU CB C 130 29.337 29.337 29.276 0.061 25439 4396 1 6 . 1 1 130 130 GLU H H 130 8.656 8.656 8.604 0.052 25439 4397 1 6 . 1 1 131 131 GLU N N 131 121.469 121.469 119.856 1.613 25439 4398 1 6 . 1 1 131 131 GLU HA H 131 4.163 4.163 4.023 0.140 25439 4399 1 6 . 1 1 131 131 GLU CA C 131 59.288 59.288 59.227 0.061 25439 4400 1 6 . 1 1 131 131 GLU CB C 131 29.422 29.422 29.415 0.007 25439 4401 1 6 . 1 1 131 131 GLU H H 131 7.922 7.922 7.808 0.114 25439 4402 1 6 . 1 1 132 132 GLU N N 132 119.241 119.241 119.300 -0.059 25439 4403 1 6 . 1 1 132 132 GLU HA H 132 3.998 3.998 3.991 0.007 25439 4404 1 6 . 1 1 132 132 GLU CA C 132 59.327 59.327 59.041 0.286 25439 4405 1 6 . 1 1 132 132 GLU CB C 132 29.421 29.421 29.569 -0.148 25439 4406 1 6 . 1 1 132 132 GLU H H 132 8.099 8.099 7.599 0.500 25439 4407 1 6 . 1 1 133 133 ALA N N 133 121.302 121.302 121.527 -0.225 25439 4408 1 6 . 1 1 133 133 ALA HA H 133 4.053 4.053 4.057 -0.004 25439 4409 1 6 . 1 1 133 133 ALA CA C 133 54.973 54.973 55.075 -0.102 25439 4410 1 6 . 1 1 133 133 ALA CB C 133 18.154 18.154 18.187 -0.033 25439 4411 1 6 . 1 1 133 133 ALA H H 133 7.795 7.795 7.618 0.177 25439 4412 1 6 . 1 1 134 134 ARG N N 134 118.757 118.757 118.800 -0.043 25439 4413 1 6 . 1 1 134 134 ARG HA H 134 4.143 4.143 4.003 0.140 25439 4414 1 6 . 1 1 134 134 ARG CA C 134 59.438 59.438 59.227 0.211 25439 4415 1 6 . 1 1 134 134 ARG CB C 134 30.148 30.148 30.109 0.039 25439 4416 1 6 . 1 1 134 134 ARG H H 134 8.145 8.145 7.735 0.410 25439 4417 1 6 . 1 1 135 135 LYS N N 135 119.496 119.496 118.920 0.576 25439 4418 1 6 . 1 1 135 135 LYS HA H 135 4.073 4.073 4.134 -0.061 25439 4419 1 6 . 1 1 135 135 LYS CA C 135 59.327 59.327 58.673 0.654 25439 4420 1 6 . 1 1 135 135 LYS CB C 135 32.539 32.539 32.278 0.261 25439 4421 1 6 . 1 1 135 135 LYS H H 135 8.036 8.036 7.539 0.497 25439 4422 1 6 . 1 1 136 136 LYS N N 136 116.645 116.645 117.436 -0.791 25439 4423 1 6 . 1 1 136 136 LYS HA H 136 4.362 4.362 4.440 -0.078 25439 4424 1 6 . 1 1 136 136 LYS CA C 136 56.575 56.575 55.479 1.096 25439 4425 1 6 . 1 1 136 136 LYS CB C 136 33.629 33.629 32.470 1.159 25439 4426 1 6 . 1 1 136 136 LYS H H 136 7.682 7.682 7.453 0.229 25439 4427 1 6 . 1 1 137 137 GLY N N 137 109.349 109.349 109.584 -0.235 25439 4428 1 6 . 1 1 137 137 GLY CA C 137 46.358 46.358 46.087 0.271 25439 4429 1 6 . 1 1 137 137 GLY H H 137 8.064 8.064 7.773 0.291 25439 4430 1 6 . 1 1 138 138 THR N N 138 112.870 112.870 112.924 -0.054 25439 4431 1 6 . 1 1 138 138 THR HA H 138 4.735 4.735 4.585 0.150 25439 4432 1 6 . 1 1 138 138 THR CA C 138 59.308 59.308 60.315 -1.007 25439 4433 1 6 . 1 1 138 138 THR CB C 138 70.755 70.755 70.319 0.436 25439 4434 1 6 . 1 1 138 138 THR H H 138 8.111 8.111 8.065 0.046 25439 4435 1 6 . 1 1 139 139 GLN N N 139 118.177 118.177 120.194 -2.017 25439 4436 1 6 . 1 1 139 139 GLN HA H 139 4.609 4.609 4.562 0.047 25439 4437 1 6 . 1 1 139 139 GLN CA C 139 54.435 54.435 55.224 -0.789 25439 4438 1 6 . 1 1 139 139 GLN CB C 139 30.777 30.777 31.881 -1.104 25439 4439 1 6 . 1 1 139 139 GLN H H 139 8.227 8.227 8.490 -0.263 25439 4440 1 6 . 1 1 140 140 VAL N N 140 123.601 123.601 121.651 1.950 25439 4441 1 6 . 1 1 140 140 VAL HA H 140 3.790 3.790 4.572 -0.782 25439 4442 1 6 . 1 1 140 140 VAL CA C 140 63.934 63.934 61.056 2.878 25439 4443 1 6 . 1 1 140 140 VAL CB C 140 32.154 32.154 33.969 -1.815 25439 4444 1 6 . 1 1 140 140 VAL H H 140 8.839 8.839 8.687 0.152 25439 4445 1 6 . 1 1 141 141 SER HA H 141 4.524 4.524 4.673 -0.149 25439 4446 1 6 . 1 1 141 141 SER CA C 141 57.841 57.841 57.927 -0.086 25439 4447 1 6 . 1 1 141 141 SER CB C 141 64.174 64.174 64.221 -0.047 25439 4448 1 6 . 1 1 142 142 PHE N N 142 123.726 123.726 126.674 -2.948 25439 4449 1 6 . 1 1 142 142 PHE HA H 142 4.458 4.458 4.890 -0.432 25439 4450 1 6 . 1 1 142 142 PHE CA C 142 58.673 58.673 57.721 0.952 25439 4451 1 6 . 1 1 142 142 PHE CB C 142 40.055 40.055 41.719 -1.664 25439 4452 1 6 . 1 1 142 142 PHE H H 142 7.534 7.534 8.327 -0.793 25439 4453 1 6 . 1 1 143 143 HIS N N 143 126.548 126.548 119.465 7.083 25439 4454 1 6 . 1 1 143 143 HIS HA H 143 4.336 4.336 4.495 -0.159 25439 4455 1 6 . 1 1 143 143 HIS CA C 143 56.837 56.837 56.321 0.516 25439 4456 1 6 . 1 1 143 143 HIS CB C 143 31.949 31.949 32.743 -0.794 25439 4457 1 6 . 1 1 143 143 HIS H H 143 8.308 8.308 7.276 1.032 25439 4458 1 6 . 1 1 144 144 GLN N N 144 115.094 115.094 115.902 -0.808 25439 4459 1 6 . 1 1 144 144 GLN HA H 144 4.433 4.433 4.490 -0.057 25439 4460 1 6 . 1 1 144 144 GLN CA C 144 54.210 54.210 53.355 0.855 25439 4461 1 6 . 1 1 144 144 GLN CB C 144 32.925 32.925 31.752 1.173 25439 4462 1 6 . 1 1 144 144 GLN H H 144 7.203 7.203 6.953 0.250 25439 4463 1 6 . 1 1 145 145 CYS N N 145 123.088 123.088 118.499 4.589 25439 4464 1 6 . 1 1 145 145 CYS HA H 145 4.961 4.961 4.960 0.001 25439 4465 1 6 . 1 1 145 145 CYS CA C 145 57.978 57.978 57.302 0.676 25439 4466 1 6 . 1 1 145 145 CYS CB C 145 33.555 33.555 29.688 3.867 25439 4467 1 6 . 1 1 145 145 CYS H H 145 8.668 8.668 8.522 0.146 25439 4468 1 6 . 1 1 146 146 VAL N N 146 113.265 113.265 121.022 -7.757 25439 4469 1 6 . 1 1 146 146 VAL HA H 146 4.238 4.238 4.222 0.016 25439 4470 1 6 . 1 1 146 146 VAL CA C 146 64.001 64.001 64.510 -0.509 25439 4471 1 6 . 1 1 146 146 VAL CB C 146 32.157 32.157 32.344 -0.187 25439 4472 1 6 . 1 1 146 146 VAL H H 146 8.198 8.198 8.505 -0.307 25439 4473 1 6 . 1 1 147 147 HIS N N 147 120.556 120.556 118.484 2.072 25439 4474 1 6 . 1 1 147 147 HIS HA H 147 4.604 4.604 4.331 0.273 25439 4475 1 6 . 1 1 147 147 HIS CA C 147 58.708 58.708 58.316 0.392 25439 4476 1 6 . 1 1 147 147 HIS CB C 147 32.204 32.204 29.133 3.071 25439 4477 1 6 . 1 1 147 147 HIS H H 147 7.151 7.151 8.409 -1.258 25439 4478 1 6 . 1 1 148 148 CYS N N 148 112.110 112.110 112.095 0.015 25439 4479 1 6 . 1 1 148 148 CYS HA H 148 4.889 4.889 4.856 0.033 25439 4480 1 6 . 1 1 148 148 CYS CA C 148 57.952 57.952 55.566 2.386 25439 4481 1 6 . 1 1 148 148 CYS CB C 148 32.956 32.956 30.288 2.668 25439 4482 1 6 . 1 1 148 148 CYS H H 148 7.413 7.413 7.282 0.131 25439 4483 1 6 . 1 1 149 149 GLY N N 149 112.797 112.797 108.231 4.566 25439 4484 1 6 . 1 1 149 149 GLY CA C 149 45.327 45.327 44.387 0.940 25439 4485 1 6 . 1 1 149 149 GLY H H 149 6.949 6.949 8.324 -1.375 25439 4486 1 6 . 1 1 150 150 CYS N N 150 127.277 127.277 120.747 6.530 25439 4487 1 6 . 1 1 150 150 CYS HA H 150 3.932 3.932 4.536 -0.604 25439 4488 1 6 . 1 1 150 150 CYS CA C 150 61.362 61.362 57.236 4.127 25439 4489 1 6 . 1 1 150 150 CYS CB C 150 30.632 30.632 29.901 0.731 25439 4490 1 6 . 1 1 150 150 CYS H H 150 8.240 8.240 7.113 1.127 25439 4491 1 6 . 1 1 151 151 ARG N N 151 125.476 125.476 128.061 -2.585 25439 4492 1 6 . 1 1 151 151 ARG HA H 151 4.775 4.775 4.362 0.413 25439 4493 1 6 . 1 1 151 151 ARG CA C 151 56.164 56.164 55.677 0.487 25439 4494 1 6 . 1 1 151 151 ARG CB C 151 30.354 30.354 29.704 0.650 25439 4495 1 6 . 1 1 151 151 ARG H H 151 8.492 8.492 8.630 -0.138 25439 4496 1 6 . 1 1 152 152 GLY N N 152 117.275 117.275 108.834 8.441 25439 4497 1 6 . 1 1 152 152 GLY CA C 152 45.523 45.523 45.316 0.207 25439 4498 1 6 . 1 1 152 152 GLY H H 152 9.812 9.812 7.601 2.211 25439 4499 1 6 . 1 1 153 153 CYS N N 153 126.187 126.187 118.809 7.378 25439 4500 1 6 . 1 1 153 153 CYS HA H 153 4.842 4.842 4.819 0.023 25439 4501 1 6 . 1 1 153 153 CYS CA C 153 57.130 57.130 55.826 1.304 25439 4502 1 6 . 1 1 153 153 CYS CB C 153 31.368 31.368 27.874 3.494 25439 4503 1 6 . 1 1 153 153 CYS H H 153 8.930 8.930 8.250 0.680 25439 4504 1 6 . 1 1 154 154 ALA N N 154 125.869 125.869 126.210 -0.341 25439 4505 1 6 . 1 1 154 154 ALA HA H 154 4.159 4.159 4.960 -0.801 25439 4506 1 6 . 1 1 154 154 ALA CA C 154 53.187 53.187 51.645 1.542 25439 4507 1 6 . 1 1 154 154 ALA CB C 154 18.937 18.937 21.680 -2.744 25439 4508 1 6 . 1 1 154 154 ALA H H 154 8.616 8.616 8.330 0.286 25439 4509 1 6 . 1 1 155 155 SER N N 155 116.724 116.724 116.821 -0.097 25439 4510 1 6 . 1 1 155 155 SER HA H 155 4.283 4.283 4.511 -0.228 25439 4511 1 6 . 1 1 155 155 SER CA C 155 60.136 60.136 59.870 0.266 25439 4512 1 6 . 1 1 155 155 SER CB C 155 63.575 63.575 64.287 -0.712 25439 4513 1 6 . 1 1 155 155 SER H H 155 9.358 9.358 8.824 0.534 25439 4514 1 6 . 1 1 156 156 THR N N 156 111.893 111.893 115.948 -4.055 25439 4515 1 6 . 1 1 156 156 THR HA H 156 4.358 4.358 4.060 0.298 25439 4516 1 6 . 1 1 156 156 THR CA C 156 61.264 61.264 64.307 -3.043 25439 4517 1 6 . 1 1 156 156 THR CB C 156 69.999 69.999 68.851 1.148 25439 4518 1 6 . 1 1 156 156 THR H H 156 7.638 7.638 8.274 -0.636 25439 4519 1 7 . 1 1 0 0 GLY CA C 0 43.750 43.750 45.538 -1.788 25439 4520 1 7 . 1 1 1 1 SER N N 1 117.201 117.201 118.177 -0.976 25439 4521 1 7 . 1 1 1 1 SER HA H 1 4.809 4.809 4.831 -0.022 25439 4522 1 7 . 1 1 1 1 SER CA C 1 56.525 56.525 57.021 -0.496 25439 4523 1 7 . 1 1 1 1 SER CB C 1 63.385 63.385 64.197 -0.812 25439 4524 1 7 . 1 1 1 1 SER H H 1 8.381 8.381 8.091 0.290 25439 4525 1 7 . 1 1 2 2 PRO HA H 2 4.468 4.468 4.455 0.013 25439 4526 1 7 . 1 1 2 2 PRO CA C 2 63.292 63.292 64.257 -0.965 25439 4527 1 7 . 1 1 2 2 PRO CB C 2 32.174 32.174 32.135 0.039 25439 4528 1 7 . 1 1 3 3 ARG N N 3 121.649 121.649 119.232 2.417 25439 4529 1 7 . 1 1 3 3 ARG HA H 3 4.324 4.324 4.521 -0.197 25439 4530 1 7 . 1 1 3 3 ARG CA C 3 56.226 56.226 55.475 0.751 25439 4531 1 7 . 1 1 3 3 ARG CB C 3 30.732 30.732 30.666 0.066 25439 4532 1 7 . 1 1 3 3 ARG H H 3 8.428 8.428 8.243 0.185 25439 4533 1 7 . 1 1 4 4 ILE N N 4 122.500 122.500 121.184 1.316 25439 4534 1 7 . 1 1 4 4 ILE HA H 4 4.181 4.181 4.261 -0.080 25439 4535 1 7 . 1 1 4 4 ILE CA C 4 60.943 60.943 61.143 -0.200 25439 4536 1 7 . 1 1 4 4 ILE CB C 4 38.751 38.751 39.267 -0.516 25439 4537 1 7 . 1 1 4 4 ILE H H 4 8.165 8.165 7.945 0.220 25439 4538 1 7 . 1 1 5 5 LYS N N 5 126.237 126.237 126.589 -0.352 25439 4539 1 7 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.463 -0.061 25439 4540 1 7 . 1 1 5 5 LYS CA C 5 56.422 56.422 56.130 0.292 25439 4541 1 7 . 1 1 5 5 LYS CB C 5 33.130 33.130 33.710 -0.580 25439 4542 1 7 . 1 1 5 5 LYS H H 5 8.500 8.500 8.807 -0.307 25439 4543 1 7 . 1 1 6 6 THR N N 6 116.495 116.495 115.934 0.561 25439 4544 1 7 . 1 1 6 6 THR HA H 6 4.323 4.323 4.646 -0.323 25439 4545 1 7 . 1 1 6 6 THR CA C 6 61.918 61.918 61.624 0.293 25439 4546 1 7 . 1 1 6 6 THR CB C 6 69.963 69.963 70.339 -0.376 25439 4547 1 7 . 1 1 6 6 THR H H 6 8.194 8.194 7.935 0.259 25439 4548 1 7 . 1 1 7 7 ARG N N 7 124.128 124.128 122.137 1.991 25439 4549 1 7 . 1 1 7 7 ARG HA H 7 4.396 4.396 4.660 -0.264 25439 4550 1 7 . 1 1 7 7 ARG CA C 7 56.128 56.128 55.492 0.636 25439 4551 1 7 . 1 1 7 7 ARG CB C 7 30.953 30.953 31.585 -0.633 25439 4552 1 7 . 1 1 7 7 ARG H H 7 8.458 8.458 8.477 -0.019 25439 4553 1 7 . 1 1 8 8 ARG N N 8 123.384 123.384 121.782 1.602 25439 4554 1 7 . 1 1 8 8 ARG HA H 8 4.424 4.424 4.584 -0.160 25439 4555 1 7 . 1 1 8 8 ARG CA C 8 56.011 56.011 56.384 -0.373 25439 4556 1 7 . 1 1 8 8 ARG CB C 8 31.058 31.058 30.014 1.044 25439 4557 1 7 . 1 1 8 8 ARG H H 8 8.526 8.526 8.640 -0.114 25439 4558 1 7 . 1 1 9 9 SER N N 9 118.446 118.446 113.718 4.728 25439 4559 1 7 . 1 1 9 9 SER HA H 9 4.473 4.473 4.634 -0.161 25439 4560 1 7 . 1 1 9 9 SER CA C 9 58.568 58.568 58.034 0.534 25439 4561 1 7 . 1 1 9 9 SER CB C 9 63.986 63.986 63.622 0.364 25439 4562 1 7 . 1 1 9 9 SER H H 9 8.450 8.450 8.027 0.423 25439 4563 1 7 . 1 1 10 10 LYS N N 10 124.117 124.117 123.324 0.793 25439 4564 1 7 . 1 1 10 10 LYS HA H 10 4.673 4.673 4.837 -0.164 25439 4565 1 7 . 1 1 10 10 LYS CA C 10 54.412 54.412 53.704 0.708 25439 4566 1 7 . 1 1 10 10 LYS CB C 10 32.693 32.693 33.633 -0.940 25439 4567 1 7 . 1 1 10 10 LYS H H 10 8.426 8.426 8.147 0.279 25439 4568 1 7 . 1 1 11 11 PRO HA H 11 4.360 4.360 4.609 -0.249 25439 4569 1 7 . 1 1 11 11 PRO CA C 11 62.861 62.861 62.624 0.237 25439 4570 1 7 . 1 1 11 11 PRO CB C 11 32.106 32.106 32.833 -0.727 25439 4571 1 7 . 1 1 12 12 ALA N N 12 124.420 124.420 123.218 1.202 25439 4572 1 7 . 1 1 12 12 ALA HA H 12 2.889 2.889 3.291 -0.402 25439 4573 1 7 . 1 1 12 12 ALA CA C 12 49.735 49.735 49.016 0.719 25439 4574 1 7 . 1 1 12 12 ALA CB C 12 18.066 18.066 16.991 1.075 25439 4575 1 7 . 1 1 12 12 ALA H H 12 7.890 7.890 7.766 0.124 25439 4576 1 7 . 1 1 13 13 PRO HA H 13 4.207 4.207 4.443 -0.236 25439 4577 1 7 . 1 1 13 13 PRO CA C 13 62.111 62.111 61.805 0.306 25439 4578 1 7 . 1 1 13 13 PRO CB C 13 32.582 32.582 32.196 0.386 25439 4579 1 7 . 1 1 14 14 ASP N N 14 119.535 119.535 120.561 -1.026 25439 4580 1 7 . 1 1 14 14 ASP HA H 14 4.379 4.379 4.302 0.077 25439 4581 1 7 . 1 1 14 14 ASP CA C 14 56.427 56.427 57.670 -1.243 25439 4582 1 7 . 1 1 14 14 ASP CB C 14 41.177 41.177 40.340 0.837 25439 4583 1 7 . 1 1 14 14 ASP H H 14 8.206 8.206 8.692 -0.486 25439 4584 1 7 . 1 1 15 15 GLY N N 15 113.273 113.273 108.270 5.003 25439 4585 1 7 . 1 1 15 15 GLY CA C 15 45.146 45.146 46.843 -1.698 25439 4586 1 7 . 1 1 15 15 GLY H H 15 8.723 8.723 8.509 0.214 25439 4587 1 7 . 1 1 16 16 PHE N N 16 123.113 123.113 122.527 0.586 25439 4588 1 7 . 1 1 16 16 PHE HA H 16 4.125 4.125 4.260 -0.135 25439 4589 1 7 . 1 1 16 16 PHE CA C 16 60.715 60.715 59.573 1.142 25439 4590 1 7 . 1 1 16 16 PHE CB C 16 39.639 39.639 39.089 0.550 25439 4591 1 7 . 1 1 16 16 PHE H H 16 8.127 8.127 8.303 -0.176 25439 4592 1 7 . 1 1 17 17 GLU N N 17 115.695 115.695 119.504 -3.809 25439 4593 1 7 . 1 1 17 17 GLU HA H 17 3.768 3.768 3.841 -0.073 25439 4594 1 7 . 1 1 17 17 GLU CA C 17 59.234 59.234 59.467 -0.233 25439 4595 1 7 . 1 1 17 17 GLU CB C 17 28.495 28.495 29.328 -0.833 25439 4596 1 7 . 1 1 17 17 GLU H H 17 9.088 9.088 8.176 0.912 25439 4597 1 7 . 1 1 18 18 LYS N N 18 115.887 115.887 117.518 -1.631 25439 4598 1 7 . 1 1 18 18 LYS HA H 18 4.165 4.165 4.080 0.085 25439 4599 1 7 . 1 1 18 18 LYS CA C 18 58.249 58.249 58.505 -0.256 25439 4600 1 7 . 1 1 18 18 LYS CB C 18 32.725 32.725 32.738 -0.013 25439 4601 1 7 . 1 1 18 18 LYS H H 18 7.285 7.285 7.777 -0.492 25439 4602 1 7 . 1 1 19 19 ILE N N 19 110.277 110.277 110.908 -0.631 25439 4603 1 7 . 1 1 19 19 ILE HA H 19 4.722 4.722 4.706 0.016 25439 4604 1 7 . 1 1 19 19 ILE CA C 19 61.093 61.093 60.029 1.064 25439 4605 1 7 . 1 1 19 19 ILE CB C 19 39.139 39.139 38.140 0.999 25439 4606 1 7 . 1 1 19 19 ILE H H 19 7.031 7.031 7.485 -0.454 25439 4607 1 7 . 1 1 20 20 LYS N N 20 124.540 124.540 122.690 1.850 25439 4608 1 7 . 1 1 20 20 LYS HA H 20 3.603 3.603 3.833 -0.230 25439 4609 1 7 . 1 1 20 20 LYS CA C 20 60.917 60.917 59.866 1.051 25439 4610 1 7 . 1 1 20 20 LYS CB C 20 30.210 30.210 30.547 -0.337 25439 4611 1 7 . 1 1 20 20 LYS H H 20 7.666 7.666 7.564 0.102 25439 4612 1 7 . 1 1 21 21 PRO HA H 21 4.292 4.292 4.584 -0.292 25439 4613 1 7 . 1 1 21 21 PRO CA C 21 66.990 66.990 65.272 1.718 25439 4614 1 7 . 1 1 21 21 PRO CB C 21 30.779 30.779 31.460 -0.682 25439 4615 1 7 . 1 1 22 22 THR N N 22 114.917 114.917 115.530 -0.613 25439 4616 1 7 . 1 1 22 22 THR HA H 22 3.866 3.866 4.063 -0.197 25439 4617 1 7 . 1 1 22 22 THR CA C 22 66.575 66.575 66.709 -0.134 25439 4618 1 7 . 1 1 22 22 THR CB C 22 68.731 68.731 68.168 0.563 25439 4619 1 7 . 1 1 22 22 THR H H 22 7.331 7.331 8.363 -1.032 25439 4620 1 7 . 1 1 23 23 LEU N N 23 120.152 120.152 120.265 -0.113 25439 4621 1 7 . 1 1 23 23 LEU HA H 23 4.397 4.397 4.055 0.342 25439 4622 1 7 . 1 1 23 23 LEU CA C 23 58.740 58.740 57.885 0.855 25439 4623 1 7 . 1 1 23 23 LEU CB C 23 40.489 40.489 41.840 -1.351 25439 4624 1 7 . 1 1 23 23 LEU H H 23 7.991 7.991 7.469 0.522 25439 4625 1 7 . 1 1 24 24 THR N N 24 119.365 119.365 115.213 4.152 25439 4626 1 7 . 1 1 24 24 THR HA H 24 4.095 4.095 4.051 0.044 25439 4627 1 7 . 1 1 24 24 THR CA C 24 66.834 66.834 66.001 0.833 25439 4628 1 7 . 1 1 24 24 THR CB C 24 68.614 68.614 68.016 0.598 25439 4629 1 7 . 1 1 24 24 THR H H 24 9.175 9.175 7.558 1.617 25439 4630 1 7 . 1 1 25 25 ASP N N 25 122.865 122.865 121.739 1.126 25439 4631 1 7 . 1 1 25 25 ASP HA H 25 4.483 4.483 4.382 0.101 25439 4632 1 7 . 1 1 25 25 ASP CA C 25 58.158 58.158 57.635 0.523 25439 4633 1 7 . 1 1 25 25 ASP CB C 25 40.329 40.329 40.389 -0.060 25439 4634 1 7 . 1 1 25 25 ASP H H 25 7.714 7.714 7.717 -0.003 25439 4635 1 7 . 1 1 26 26 PHE N N 26 116.182 116.182 118.508 -2.326 25439 4636 1 7 . 1 1 26 26 PHE HA H 26 4.457 4.457 4.093 0.364 25439 4637 1 7 . 1 1 26 26 PHE CA C 26 62.531 62.531 62.490 0.041 25439 4638 1 7 . 1 1 26 26 PHE CB C 26 39.468 39.468 38.877 0.591 25439 4639 1 7 . 1 1 26 26 PHE H H 26 7.816 7.816 7.858 -0.042 25439 4640 1 7 . 1 1 27 27 GLU N N 27 120.107 120.107 119.381 0.726 25439 4641 1 7 . 1 1 27 27 GLU HA H 27 4.113 4.113 3.999 0.114 25439 4642 1 7 . 1 1 27 27 GLU CA C 27 59.852 59.852 59.757 0.095 25439 4643 1 7 . 1 1 27 27 GLU CB C 27 29.692 29.692 29.217 0.475 25439 4644 1 7 . 1 1 27 27 GLU H H 27 8.068 8.068 7.902 0.166 25439 4645 1 7 . 1 1 28 28 ILE N N 28 121.494 121.494 120.494 1.000 25439 4646 1 7 . 1 1 28 28 ILE HA H 28 3.718 3.718 3.761 -0.043 25439 4647 1 7 . 1 1 28 28 ILE CA C 28 65.002 65.002 65.143 -0.141 25439 4648 1 7 . 1 1 28 28 ILE CB C 28 38.023 38.023 37.706 0.317 25439 4649 1 7 . 1 1 28 28 ILE H H 28 8.531 8.531 7.409 1.122 25439 4650 1 7 . 1 1 29 29 GLN N N 29 118.941 118.941 120.199 -1.258 25439 4651 1 7 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.046 0.134 25439 4652 1 7 . 1 1 29 29 GLN CA C 29 59.507 59.507 58.588 0.919 25439 4653 1 7 . 1 1 29 29 GLN CB C 29 29.783 29.783 28.664 1.119 25439 4654 1 7 . 1 1 29 29 GLN H H 29 8.117 8.117 7.566 0.551 25439 4655 1 7 . 1 1 30 30 LEU N N 30 121.724 121.724 120.960 0.764 25439 4656 1 7 . 1 1 30 30 LEU HA H 30 4.032 4.032 4.045 -0.013 25439 4657 1 7 . 1 1 30 30 LEU CA C 30 58.333 58.333 57.833 0.500 25439 4658 1 7 . 1 1 30 30 LEU CB C 30 42.339 42.339 41.797 0.541 25439 4659 1 7 . 1 1 30 30 LEU H H 30 8.677 8.677 8.921 -0.244 25439 4660 1 7 . 1 1 31 31 ARG N N 31 120.629 120.629 119.698 0.931 25439 4661 1 7 . 1 1 31 31 ARG HA H 31 4.105 4.105 3.893 0.212 25439 4662 1 7 . 1 1 31 31 ARG CA C 31 59.340 59.340 60.253 -0.913 25439 4663 1 7 . 1 1 31 31 ARG CB C 31 30.044 30.044 29.757 0.287 25439 4664 1 7 . 1 1 31 31 ARG H H 31 8.227 8.227 8.662 -0.435 25439 4665 1 7 . 1 1 32 32 ASP N N 32 120.233 120.233 119.998 0.235 25439 4666 1 7 . 1 1 32 32 ASP HA H 32 4.484 4.484 4.383 0.101 25439 4667 1 7 . 1 1 32 32 ASP CA C 32 57.199 57.199 57.800 -0.601 25439 4668 1 7 . 1 1 32 32 ASP CB C 32 40.202 40.202 40.661 -0.459 25439 4669 1 7 . 1 1 32 32 ASP H H 32 8.407 8.407 7.760 0.647 25439 4670 1 7 . 1 1 33 33 ALA N N 33 121.939 121.939 122.099 -0.160 25439 4671 1 7 . 1 1 33 33 ALA HA H 33 4.321 4.321 3.972 0.349 25439 4672 1 7 . 1 1 33 33 ALA CA C 33 54.207 54.207 55.094 -0.887 25439 4673 1 7 . 1 1 33 33 ALA CB C 33 18.738 18.738 18.422 0.316 25439 4674 1 7 . 1 1 33 33 ALA H H 33 8.057 8.057 7.512 0.545 25439 4675 1 7 . 1 1 34 34 GLN N N 34 114.736 114.736 116.993 -2.257 25439 4676 1 7 . 1 1 34 34 GLN HA H 34 4.248 4.248 4.136 0.112 25439 4677 1 7 . 1 1 34 34 GLN CA C 34 56.567 56.567 58.658 -2.091 25439 4678 1 7 . 1 1 34 34 GLN CB C 34 29.743 29.743 28.795 0.948 25439 4679 1 7 . 1 1 34 34 GLN H H 34 7.746 7.746 8.605 -0.859 25439 4680 1 7 . 1 1 35 35 LYS N N 35 120.534 120.534 118.052 2.482 25439 4681 1 7 . 1 1 35 35 LYS HA H 35 4.232 4.232 4.332 -0.100 25439 4682 1 7 . 1 1 35 35 LYS CA C 35 57.427 57.427 57.572 -0.145 25439 4683 1 7 . 1 1 35 35 LYS CB C 35 32.887 32.887 32.582 0.305 25439 4684 1 7 . 1 1 35 35 LYS H H 35 7.570 7.570 8.125 -0.555 25439 4685 1 7 . 1 1 36 36 ASP N N 36 120.943 120.943 121.029 -0.086 25439 4686 1 7 . 1 1 36 36 ASP HA H 36 4.595 4.595 4.351 0.244 25439 4687 1 7 . 1 1 36 36 ASP CA C 36 54.983 54.983 57.103 -2.120 25439 4688 1 7 . 1 1 36 36 ASP CB C 36 41.129 41.129 40.903 0.226 25439 4689 1 7 . 1 1 36 36 ASP H H 36 8.375 8.375 8.449 -0.074 25439 4690 1 7 . 1 1 37 37 LYS N N 37 122.598 122.598 118.823 3.775 25439 4691 1 7 . 1 1 37 37 LYS HA H 37 4.365 4.365 4.024 0.341 25439 4692 1 7 . 1 1 37 37 LYS CA C 37 56.725 56.725 58.226 -1.501 25439 4693 1 7 . 1 1 37 37 LYS CB C 37 32.823 32.823 32.652 0.171 25439 4694 1 7 . 1 1 37 37 LYS H H 37 8.446 8.446 7.394 1.052 25439 4695 1 7 . 1 1 38 38 SER N N 38 115.849 115.849 112.432 3.417 25439 4696 1 7 . 1 1 38 38 SER HA H 38 4.423 4.423 4.382 0.041 25439 4697 1 7 . 1 1 38 38 SER CA C 38 59.193 59.193 58.309 0.884 25439 4698 1 7 . 1 1 38 38 SER CB C 38 63.744 63.744 64.794 -1.050 25439 4699 1 7 . 1 1 38 38 SER H H 38 8.392 8.392 7.610 0.782 25439 4700 1 7 . 1 1 39 39 SER N N 39 117.258 117.258 114.820 2.438 25439 4701 1 7 . 1 1 39 39 SER HA H 39 4.445 4.445 4.016 0.429 25439 4702 1 7 . 1 1 39 39 SER CA C 39 58.933 58.933 60.743 -1.810 25439 4703 1 7 . 1 1 39 39 SER CB C 39 63.711 63.711 62.756 0.955 25439 4704 1 7 . 1 1 39 39 SER H H 39 8.283 8.283 8.595 -0.312 25439 4705 1 7 . 1 1 40 40 LYS N N 40 122.427 122.427 121.592 0.835 25439 4706 1 7 . 1 1 40 40 LYS HA H 40 4.321 4.321 4.494 -0.173 25439 4707 1 7 . 1 1 40 40 LYS CA C 40 56.847 56.847 55.578 1.269 25439 4708 1 7 . 1 1 40 40 LYS CB C 40 32.764 32.764 34.143 -1.379 25439 4709 1 7 . 1 1 40 40 LYS H H 40 8.263 8.263 8.179 0.084 25439 4710 1 7 . 1 1 41 41 LEU N N 41 121.281 121.281 122.386 -1.105 25439 4711 1 7 . 1 1 41 41 LEU HA H 41 4.308 4.308 4.712 -0.404 25439 4712 1 7 . 1 1 41 41 LEU CA C 41 55.335 55.335 54.786 0.549 25439 4713 1 7 . 1 1 41 41 LEU CB C 41 42.212 42.212 42.054 0.158 25439 4714 1 7 . 1 1 41 41 LEU H H 41 8.068 8.068 8.534 -0.466 25439 4715 1 7 . 1 1 42 42 ALA N N 42 123.964 123.964 124.443 -0.479 25439 4716 1 7 . 1 1 42 42 ALA HA H 42 4.274 4.274 4.586 -0.312 25439 4717 1 7 . 1 1 42 42 ALA CA C 42 52.851 52.851 52.189 0.662 25439 4718 1 7 . 1 1 42 42 ALA CB C 42 19.135 19.135 19.439 -0.305 25439 4719 1 7 . 1 1 42 42 ALA H H 42 8.111 8.111 8.211 -0.100 25439 4720 1 7 . 1 1 43 43 ALA N N 43 122.146 122.146 122.098 0.048 25439 4721 1 7 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.609 -0.312 25439 4722 1 7 . 1 1 43 43 ALA CA C 43 52.727 52.727 51.567 1.160 25439 4723 1 7 . 1 1 43 43 ALA CB C 43 19.318 19.318 19.938 -0.620 25439 4724 1 7 . 1 1 43 43 ALA H H 43 8.101 8.101 7.485 0.616 25439 4725 1 7 . 1 1 44 44 LYS N N 44 119.454 119.454 119.121 0.333 25439 4726 1 7 . 1 1 44 44 LYS HA H 44 4.349 4.349 3.921 0.428 25439 4727 1 7 . 1 1 44 44 LYS CA C 44 56.267 56.267 56.610 -0.343 25439 4728 1 7 . 1 1 44 44 LYS CB C 44 32.825 32.825 31.185 1.640 25439 4729 1 7 . 1 1 44 44 LYS H H 44 8.198 8.198 8.359 -0.161 25439 4730 1 7 . 1 1 45 45 SER N N 45 116.660 116.660 114.226 2.434 25439 4731 1 7 . 1 1 45 45 SER HA H 45 4.368 4.368 4.386 -0.018 25439 4732 1 7 . 1 1 45 45 SER CA C 45 58.477 58.477 58.866 -0.389 25439 4733 1 7 . 1 1 45 45 SER CB C 45 64.063 64.063 63.801 0.262 25439 4734 1 7 . 1 1 45 45 SER H H 45 8.251 8.251 8.321 -0.070 25439 4735 1 7 . 1 1 46 46 ASN N N 46 120.516 120.516 119.619 0.897 25439 4736 1 7 . 1 1 46 46 ASN HA H 46 4.361 4.361 4.216 0.145 25439 4737 1 7 . 1 1 46 46 ASN CA C 46 54.657 54.657 56.698 -2.041 25439 4738 1 7 . 1 1 46 46 ASN CB C 46 37.649 37.649 37.997 -0.348 25439 4739 1 7 . 1 1 46 46 ASN H H 46 8.498 8.498 8.435 0.063 25439 4740 1 7 . 1 1 47 47 GLU N N 47 117.964 117.964 118.012 -0.048 25439 4741 1 7 . 1 1 47 47 GLU HA H 47 3.350 3.350 2.724 0.626 25439 4742 1 7 . 1 1 47 47 GLU CA C 47 59.213 59.213 59.106 0.107 25439 4743 1 7 . 1 1 47 47 GLU CB C 47 28.998 28.998 28.767 0.231 25439 4744 1 7 . 1 1 47 47 GLU H H 47 8.016 8.016 8.249 -0.233 25439 4745 1 7 . 1 1 48 48 GLN N N 48 119.468 119.468 119.091 0.377 25439 4746 1 7 . 1 1 48 48 GLN HA H 48 4.250 4.250 4.025 0.225 25439 4747 1 7 . 1 1 48 48 GLN CA C 48 58.529 58.529 58.942 -0.413 25439 4748 1 7 . 1 1 48 48 GLN CB C 48 28.902 28.902 28.501 0.401 25439 4749 1 7 . 1 1 48 48 GLN H H 48 7.892 7.892 7.890 0.002 25439 4750 1 7 . 1 1 49 49 LEU N N 49 120.145 120.145 119.913 0.232 25439 4751 1 7 . 1 1 49 49 LEU HA H 49 4.232 4.232 3.992 0.240 25439 4752 1 7 . 1 1 49 49 LEU CA C 49 57.479 57.479 57.612 -0.133 25439 4753 1 7 . 1 1 49 49 LEU CB C 49 41.391 41.391 41.681 -0.290 25439 4754 1 7 . 1 1 49 49 LEU H H 49 7.699 7.699 7.810 -0.111 25439 4755 1 7 . 1 1 50 50 TRP N N 50 119.596 119.596 118.404 1.192 25439 4756 1 7 . 1 1 50 50 TRP HA H 50 4.520 4.520 4.359 0.161 25439 4757 1 7 . 1 1 50 50 TRP CA C 50 58.353 58.353 58.920 -0.567 25439 4758 1 7 . 1 1 50 50 TRP CB C 50 28.880 28.880 28.019 0.861 25439 4759 1 7 . 1 1 50 50 TRP H H 50 8.385 8.385 7.946 0.439 25439 4760 1 7 . 1 1 51 51 GLU N N 51 119.362 119.362 118.560 0.802 25439 4761 1 7 . 1 1 51 51 GLU HA H 51 4.145 4.145 4.085 0.060 25439 4762 1 7 . 1 1 51 51 GLU CA C 51 60.035 60.035 59.532 0.503 25439 4763 1 7 . 1 1 51 51 GLU CB C 51 29.675 29.675 29.292 0.383 25439 4764 1 7 . 1 1 51 51 GLU H H 51 8.223 8.223 7.988 0.235 25439 4765 1 7 . 1 1 52 52 ILE N N 52 119.018 119.018 119.901 -0.883 25439 4766 1 7 . 1 1 52 52 ILE HA H 52 3.673 3.673 3.731 -0.058 25439 4767 1 7 . 1 1 52 52 ILE CA C 52 65.511 65.511 65.227 0.284 25439 4768 1 7 . 1 1 52 52 ILE CB C 52 38.532 38.532 38.083 0.449 25439 4769 1 7 . 1 1 52 52 ILE H H 52 7.801 7.801 7.437 0.364 25439 4770 1 7 . 1 1 53 53 MET N N 53 118.133 118.133 116.899 1.234 25439 4771 1 7 . 1 1 53 53 MET HA H 53 4.452 4.452 4.048 0.404 25439 4772 1 7 . 1 1 53 53 MET CA C 53 58.216 58.216 58.661 -0.445 25439 4773 1 7 . 1 1 53 53 MET CB C 53 31.838 31.838 31.846 -0.008 25439 4774 1 7 . 1 1 53 53 MET H H 53 8.411 8.411 7.902 0.509 25439 4775 1 7 . 1 1 54 54 GLN N N 54 120.855 120.855 119.198 1.657 25439 4776 1 7 . 1 1 54 54 GLN HA H 54 4.333 4.333 4.063 0.270 25439 4777 1 7 . 1 1 54 54 GLN CA C 54 59.004 59.004 58.492 0.512 25439 4778 1 7 . 1 1 54 54 GLN CB C 54 27.824 27.824 29.114 -1.290 25439 4779 1 7 . 1 1 54 54 GLN H H 54 8.860 8.860 8.473 0.387 25439 4780 1 7 . 1 1 55 55 LEU N N 55 122.788 122.788 120.943 1.845 25439 4781 1 7 . 1 1 55 55 LEU HA H 55 4.302 4.302 4.214 0.088 25439 4782 1 7 . 1 1 55 55 LEU CA C 55 58.685 58.685 58.093 0.592 25439 4783 1 7 . 1 1 55 55 LEU CB C 55 42.695 42.695 41.949 0.746 25439 4784 1 7 . 1 1 55 55 LEU H H 55 8.298 8.298 8.188 0.110 25439 4785 1 7 . 1 1 56 56 HIS N N 56 118.426 118.426 118.436 -0.010 25439 4786 1 7 . 1 1 56 56 HIS HA H 56 4.317 4.317 4.190 0.127 25439 4787 1 7 . 1 1 56 56 HIS CA C 56 60.732 60.732 60.028 0.704 25439 4788 1 7 . 1 1 56 56 HIS CB C 56 30.530 30.530 29.558 0.972 25439 4789 1 7 . 1 1 56 56 HIS H H 56 8.416 8.416 7.842 0.574 25439 4790 1 7 . 1 1 57 57 HIS N N 57 121.197 121.197 119.872 1.325 25439 4791 1 7 . 1 1 57 57 HIS HA H 57 4.318 4.318 4.532 -0.214 25439 4792 1 7 . 1 1 57 57 HIS CA C 57 60.739 60.739 58.810 1.929 25439 4793 1 7 . 1 1 57 57 HIS CB C 57 28.726 28.726 30.112 -1.386 25439 4794 1 7 . 1 1 57 57 HIS H H 57 8.608 8.608 8.098 0.510 25439 4795 1 7 . 1 1 58 58 GLN N N 58 118.739 118.739 119.011 -0.272 25439 4796 1 7 . 1 1 58 58 GLN HA H 58 4.202 4.202 4.180 0.022 25439 4797 1 7 . 1 1 58 58 GLN CA C 58 59.507 59.507 59.304 0.203 25439 4798 1 7 . 1 1 58 58 GLN CB C 58 29.111 29.111 29.035 0.076 25439 4799 1 7 . 1 1 58 58 GLN H H 58 9.206 9.206 8.089 1.117 25439 4800 1 7 . 1 1 59 59 ARG N N 59 122.498 122.498 120.271 2.227 25439 4801 1 7 . 1 1 59 59 ARG HA H 59 3.437 3.437 3.732 -0.295 25439 4802 1 7 . 1 1 59 59 ARG CA C 59 60.361 60.361 59.026 1.335 25439 4803 1 7 . 1 1 59 59 ARG H H 59 8.623 8.623 8.151 0.472 25439 4804 1 7 . 1 1 60 60 SER N N 60 114.930 114.930 115.615 -0.685 25439 4805 1 7 . 1 1 60 60 SER HA H 60 4.515 4.515 4.172 0.343 25439 4806 1 7 . 1 1 60 60 SER CA C 60 64.832 64.832 61.532 3.300 25439 4807 1 7 . 1 1 60 60 SER CB C 60 63.583 63.583 62.908 0.675 25439 4808 1 7 . 1 1 60 60 SER H H 60 7.993 7.993 8.561 -0.568 25439 4809 1 7 . 1 1 61 61 ARG N N 61 124.417 124.417 122.688 1.729 25439 4810 1 7 . 1 1 61 61 ARG HA H 61 4.204 4.204 4.188 0.016 25439 4811 1 7 . 1 1 61 61 ARG CA C 61 58.852 58.852 58.970 -0.118 25439 4812 1 7 . 1 1 61 61 ARG CB C 61 29.077 29.077 29.957 -0.880 25439 4813 1 7 . 1 1 61 61 ARG H H 61 9.569 9.569 8.585 0.984 25439 4814 1 7 . 1 1 62 62 TYR N N 62 124.484 124.484 121.047 3.437 25439 4815 1 7 . 1 1 62 62 TYR HA H 62 4.676 4.676 4.296 0.380 25439 4816 1 7 . 1 1 62 62 TYR CA C 62 61.006 61.006 62.088 -1.082 25439 4817 1 7 . 1 1 62 62 TYR CB C 62 38.392 38.392 38.606 -0.214 25439 4818 1 7 . 1 1 62 62 TYR H H 62 8.622 8.622 8.051 0.571 25439 4819 1 7 . 1 1 63 63 ILE N N 63 119.789 119.789 119.113 0.676 25439 4820 1 7 . 1 1 63 63 ILE HA H 63 3.492 3.492 3.801 -0.309 25439 4821 1 7 . 1 1 63 63 ILE CA C 63 65.693 65.693 65.534 0.160 25439 4822 1 7 . 1 1 63 63 ILE CB C 63 38.023 38.023 38.352 -0.329 25439 4823 1 7 . 1 1 63 63 ILE H H 63 7.588 7.588 8.083 -0.495 25439 4824 1 7 . 1 1 64 64 TYR N N 64 120.485 120.485 120.466 0.019 25439 4825 1 7 . 1 1 64 64 TYR HA H 64 4.577 4.577 4.377 0.200 25439 4826 1 7 . 1 1 64 64 TYR CA C 64 61.759 61.759 61.520 0.239 25439 4827 1 7 . 1 1 64 64 TYR CB C 64 39.772 39.772 38.412 1.360 25439 4828 1 7 . 1 1 64 64 TYR H H 64 9.166 9.166 9.233 -0.067 25439 4829 1 7 . 1 1 65 65 THR N N 65 117.072 117.072 116.164 0.908 25439 4830 1 7 . 1 1 65 65 THR HA H 65 3.562 3.562 4.092 -0.530 25439 4831 1 7 . 1 1 65 65 THR CA C 65 67.016 67.016 66.085 0.931 25439 4832 1 7 . 1 1 65 65 THR CB C 65 68.711 68.711 69.140 -0.429 25439 4833 1 7 . 1 1 65 65 THR H H 65 8.987 8.987 8.262 0.725 25439 4834 1 7 . 1 1 66 66 LEU N N 66 122.107 122.107 121.671 0.436 25439 4835 1 7 . 1 1 66 66 LEU HA H 66 3.782 3.782 4.261 -0.479 25439 4836 1 7 . 1 1 66 66 LEU CA C 66 58.476 58.476 58.078 0.398 25439 4837 1 7 . 1 1 66 66 LEU CB C 66 43.183 43.183 40.929 2.254 25439 4838 1 7 . 1 1 66 66 LEU H H 66 8.286 8.286 7.656 0.630 25439 4839 1 7 . 1 1 67 67 TYR N N 67 115.264 115.264 119.024 -3.760 25439 4840 1 7 . 1 1 67 67 TYR HA H 67 4.344 4.344 4.114 0.230 25439 4841 1 7 . 1 1 67 67 TYR CA C 67 60.830 60.830 61.624 -0.794 25439 4842 1 7 . 1 1 67 67 TYR CB C 67 40.376 40.376 39.449 0.927 25439 4843 1 7 . 1 1 67 67 TYR H H 67 7.983 7.983 8.382 -0.399 25439 4844 1 7 . 1 1 68 68 TYR N N 68 113.945 113.945 115.359 -1.414 25439 4845 1 7 . 1 1 68 68 TYR HA H 68 3.699 3.699 4.304 -0.605 25439 4846 1 7 . 1 1 68 68 TYR CA C 68 62.030 62.030 60.031 1.999 25439 4847 1 7 . 1 1 68 68 TYR CB C 68 38.046 38.046 38.735 -0.689 25439 4848 1 7 . 1 1 68 68 TYR H H 68 8.297 8.297 7.487 0.810 25439 4849 1 7 . 1 1 69 69 LYS N N 69 114.346 114.346 118.371 -4.025 25439 4850 1 7 . 1 1 69 69 LYS HA H 69 4.564 4.564 4.505 0.059 25439 4851 1 7 . 1 1 69 69 LYS CA C 69 56.821 56.821 56.952 -0.131 25439 4852 1 7 . 1 1 69 69 LYS CB C 69 31.980 31.980 33.738 -1.758 25439 4853 1 7 . 1 1 69 69 LYS H H 69 7.084 7.084 7.450 -0.366 25439 4854 1 7 . 1 1 70 70 ARG N N 70 114.676 114.676 118.659 -3.983 25439 4855 1 7 . 1 1 70 70 ARG HA H 70 4.251 4.251 4.160 0.091 25439 4856 1 7 . 1 1 70 70 ARG CA C 70 56.314 56.314 56.873 -0.559 25439 4857 1 7 . 1 1 70 70 ARG CB C 70 31.128 31.128 30.879 0.249 25439 4858 1 7 . 1 1 70 70 ARG H H 70 8.178 8.178 7.838 0.340 25439 4859 1 7 . 1 1 71 71 LYS N N 71 115.371 115.371 116.501 -1.130 25439 4860 1 7 . 1 1 71 71 LYS HA H 71 4.036 4.036 3.737 0.299 25439 4861 1 7 . 1 1 71 71 LYS CA C 71 57.121 57.121 57.002 0.119 25439 4862 1 7 . 1 1 71 71 LYS CB C 71 28.897 28.897 30.512 -1.615 25439 4863 1 7 . 1 1 71 71 LYS H H 71 6.843 6.843 7.801 -0.958 25439 4864 1 7 . 1 1 72 72 ALA N N 72 117.701 117.701 121.052 -3.351 25439 4865 1 7 . 1 1 72 72 ALA HA H 72 4.395 4.395 4.398 -0.003 25439 4866 1 7 . 1 1 72 72 ALA CA C 72 52.597 52.597 51.977 0.620 25439 4867 1 7 . 1 1 72 72 ALA CB C 72 21.560 21.560 19.677 1.883 25439 4868 1 7 . 1 1 72 72 ALA H H 72 8.560 8.560 7.629 0.931 25439 4869 1 7 . 1 1 73 73 ILE N N 73 107.605 107.605 117.238 -9.633 25439 4870 1 7 . 1 1 73 73 ILE CB C 73 42.724 42.724 41.340 1.384 25439 4871 1 7 . 1 1 73 73 ILE H H 73 7.074 7.074 7.398 -0.324 25439 4872 1 7 . 1 1 74 74 SER N N 74 118.425 118.425 118.239 0.186 25439 4873 1 7 . 1 1 74 74 SER HA H 74 4.484 4.484 4.882 -0.398 25439 4874 1 7 . 1 1 74 74 SER CA C 74 57.082 57.082 57.129 -0.047 25439 4875 1 7 . 1 1 74 74 SER CB C 74 65.396 65.396 64.795 0.601 25439 4876 1 7 . 1 1 74 74 SER H H 74 8.797 8.797 8.505 0.292 25439 4877 1 7 . 1 1 75 75 LYS N N 75 121.891 121.891 124.777 -2.886 25439 4878 1 7 . 1 1 75 75 LYS HA H 75 3.851 3.851 4.200 -0.349 25439 4879 1 7 . 1 1 75 75 LYS CA C 75 59.624 59.624 60.035 -0.411 25439 4880 1 7 . 1 1 75 75 LYS CB C 75 32.368 32.368 32.460 -0.092 25439 4881 1 7 . 1 1 75 75 LYS H H 75 9.024 9.024 9.140 -0.116 25439 4882 1 7 . 1 1 76 76 ASP N N 76 115.908 115.908 118.573 -2.665 25439 4883 1 7 . 1 1 76 76 ASP HA H 76 4.423 4.423 4.404 0.019 25439 4884 1 7 . 1 1 76 76 ASP CA C 76 57.362 57.362 57.532 -0.170 25439 4885 1 7 . 1 1 76 76 ASP CB C 76 40.391 40.391 40.330 0.061 25439 4886 1 7 . 1 1 76 76 ASP H H 76 8.161 8.161 8.594 -0.433 25439 4887 1 7 . 1 1 77 77 LEU N N 77 121.705 121.705 121.478 0.227 25439 4888 1 7 . 1 1 77 77 LEU HA H 77 4.180 4.180 4.123 0.057 25439 4889 1 7 . 1 1 77 77 LEU CA C 77 57.818 57.818 57.771 0.047 25439 4890 1 7 . 1 1 77 77 LEU H H 77 8.345 8.345 7.753 0.592 25439 4891 1 7 . 1 1 78 78 TYR N N 78 121.511 121.511 119.820 1.691 25439 4892 1 7 . 1 1 78 78 TYR HA H 78 3.789 3.789 4.033 -0.244 25439 4893 1 7 . 1 1 78 78 TYR CA C 78 62.857 62.857 60.677 2.180 25439 4894 1 7 . 1 1 78 78 TYR CB C 78 38.369 38.369 37.880 0.489 25439 4895 1 7 . 1 1 78 78 TYR H H 78 8.598 8.598 8.684 -0.086 25439 4896 1 7 . 1 1 79 79 ASP N N 79 117.189 117.189 119.692 -2.503 25439 4897 1 7 . 1 1 79 79 ASP HA H 79 4.066 4.066 4.009 0.057 25439 4898 1 7 . 1 1 79 79 ASP CA C 79 57.219 57.219 57.597 -0.378 25439 4899 1 7 . 1 1 79 79 ASP CB C 79 40.003 40.003 40.786 -0.783 25439 4900 1 7 . 1 1 79 79 ASP H H 79 9.106 9.106 8.555 0.551 25439 4901 1 7 . 1 1 80 80 TRP N N 80 123.400 123.400 122.544 0.856 25439 4902 1 7 . 1 1 80 80 TRP HA H 80 4.160 4.160 4.142 0.018 25439 4903 1 7 . 1 1 80 80 TRP CA C 80 62.368 62.368 61.792 0.576 25439 4904 1 7 . 1 1 80 80 TRP CB C 80 29.969 29.969 29.310 0.659 25439 4905 1 7 . 1 1 80 80 TRP H H 80 7.931 7.931 8.510 -0.579 25439 4906 1 7 . 1 1 81 81 LEU N N 81 119.674 119.674 118.576 1.098 25439 4907 1 7 . 1 1 81 81 LEU HA H 81 3.971 3.971 2.756 1.215 25439 4908 1 7 . 1 1 81 81 LEU CA C 81 58.294 58.294 57.523 0.770 25439 4909 1 7 . 1 1 81 81 LEU CB C 81 41.818 41.818 41.563 0.255 25439 4910 1 7 . 1 1 81 81 LEU H H 81 8.814 8.814 7.957 0.857 25439 4911 1 7 . 1 1 82 82 ILE N N 82 118.746 118.746 118.823 -0.077 25439 4912 1 7 . 1 1 82 82 ILE HA H 82 3.861 3.861 3.749 0.112 25439 4913 1 7 . 1 1 82 82 ILE CA C 82 62.734 62.734 63.020 -0.286 25439 4914 1 7 . 1 1 82 82 ILE CB C 82 36.236 36.236 36.368 -0.132 25439 4915 1 7 . 1 1 82 82 ILE H H 82 7.886 7.886 7.588 0.298 25439 4916 1 7 . 1 1 83 83 LYS N N 83 124.819 124.819 118.941 5.878 25439 4917 1 7 . 1 1 83 83 LYS HA H 83 3.911 3.911 4.131 -0.220 25439 4918 1 7 . 1 1 83 83 LYS CA C 83 59.643 59.643 57.341 2.302 25439 4919 1 7 . 1 1 83 83 LYS CB C 83 32.027 32.027 32.758 -0.731 25439 4920 1 7 . 1 1 83 83 LYS H H 83 8.224 8.224 7.598 0.626 25439 4921 1 7 . 1 1 84 84 GLU N N 84 115.404 115.404 118.432 -3.028 25439 4922 1 7 . 1 1 84 84 GLU HA H 84 3.841 3.841 4.335 -0.494 25439 4923 1 7 . 1 1 84 84 GLU CA C 84 55.582 55.582 54.748 0.834 25439 4924 1 7 . 1 1 84 84 GLU CB C 84 29.459 29.459 28.693 0.766 25439 4925 1 7 . 1 1 84 84 GLU H H 84 8.138 8.138 7.186 0.952 25439 4926 1 7 . 1 1 85 85 LYS N N 85 111.563 111.563 118.899 -7.336 25439 4927 1 7 . 1 1 85 85 LYS HA H 85 3.820 3.820 3.995 -0.175 25439 4928 1 7 . 1 1 85 85 LYS CA C 85 57.890 57.890 57.184 0.706 25439 4929 1 7 . 1 1 85 85 LYS CB C 85 28.005 28.005 31.038 -3.034 25439 4930 1 7 . 1 1 85 85 LYS H H 85 7.719 7.719 7.873 -0.154 25439 4931 1 7 . 1 1 86 86 TYR N N 86 116.916 116.916 119.580 -2.664 25439 4932 1 7 . 1 1 86 86 TYR HA H 86 4.137 4.137 4.486 -0.349 25439 4933 1 7 . 1 1 86 86 TYR CA C 86 61.228 61.228 58.754 2.474 25439 4934 1 7 . 1 1 86 86 TYR CB C 86 39.535 39.535 40.751 -1.216 25439 4935 1 7 . 1 1 86 86 TYR H H 86 8.521 8.521 8.056 0.465 25439 4936 1 7 . 1 1 87 87 ALA N N 87 113.715 113.715 119.380 -5.665 25439 4937 1 7 . 1 1 87 87 ALA HA H 87 4.738 4.738 4.296 0.442 25439 4938 1 7 . 1 1 87 87 ALA CA C 87 49.121 49.121 50.655 -1.534 25439 4939 1 7 . 1 1 87 87 ALA CB C 87 23.295 23.295 21.780 1.515 25439 4940 1 7 . 1 1 87 87 ALA H H 87 6.959 6.959 7.645 -0.686 25439 4941 1 7 . 1 1 88 88 ASP N N 88 119.344 119.344 120.391 -1.047 25439 4942 1 7 . 1 1 88 88 ASP HA H 88 4.544 4.544 4.868 -0.324 25439 4943 1 7 . 1 1 88 88 ASP CA C 88 52.714 52.714 52.873 -0.159 25439 4944 1 7 . 1 1 88 88 ASP CB C 88 41.845 41.845 42.999 -1.154 25439 4945 1 7 . 1 1 88 88 ASP H H 88 7.870 7.870 8.480 -0.610 25439 4946 1 7 . 1 1 89 89 LYS N N 89 125.312 125.312 126.043 -0.731 25439 4947 1 7 . 1 1 89 89 LYS HA H 89 3.834 3.834 4.057 -0.223 25439 4948 1 7 . 1 1 89 89 LYS CA C 89 59.409 59.409 59.358 0.051 25439 4949 1 7 . 1 1 89 89 LYS CB C 89 32.848 32.848 32.316 0.532 25439 4950 1 7 . 1 1 89 89 LYS H H 89 8.467 8.467 8.789 -0.322 25439 4951 1 7 . 1 1 90 90 LEU N N 90 119.899 119.899 121.634 -1.735 25439 4952 1 7 . 1 1 90 90 LEU HA H 90 4.023 4.023 3.998 0.025 25439 4953 1 7 . 1 1 90 90 LEU CA C 90 57.049 57.049 57.875 -0.826 25439 4954 1 7 . 1 1 90 90 LEU CB C 90 41.099 41.099 41.629 -0.530 25439 4955 1 7 . 1 1 90 90 LEU H H 90 8.076 8.076 7.968 0.108 25439 4956 1 7 . 1 1 91 91 LEU N N 91 123.148 123.148 120.545 2.603 25439 4957 1 7 . 1 1 91 91 LEU HA H 91 3.498 3.498 3.726 -0.228 25439 4958 1 7 . 1 1 91 91 LEU CA C 91 56.971 56.971 57.950 -0.980 25439 4959 1 7 . 1 1 91 91 LEU CB C 91 41.823 41.823 40.976 0.847 25439 4960 1 7 . 1 1 91 91 LEU H H 91 7.120 7.120 8.502 -1.382 25439 4961 1 7 . 1 1 92 92 ILE N N 92 116.780 116.780 118.625 -1.845 25439 4962 1 7 . 1 1 92 92 ILE HA H 92 3.265 3.265 3.587 -0.322 25439 4963 1 7 . 1 1 92 92 ILE CA C 92 65.178 65.178 65.281 -0.103 25439 4964 1 7 . 1 1 92 92 ILE CB C 92 38.209 38.209 37.484 0.725 25439 4965 1 7 . 1 1 92 92 ILE H H 92 7.384 7.384 7.707 -0.323 25439 4966 1 7 . 1 1 93 93 ALA N N 93 117.061 117.061 122.518 -5.457 25439 4967 1 7 . 1 1 93 93 ALA HA H 93 3.930 3.930 3.996 -0.066 25439 4968 1 7 . 1 1 93 93 ALA CA C 93 54.839 54.839 55.511 -0.672 25439 4969 1 7 . 1 1 93 93 ALA CB C 93 18.125 18.125 18.126 -0.001 25439 4970 1 7 . 1 1 93 93 ALA H H 93 7.437 7.437 8.764 -1.327 25439 4971 1 7 . 1 1 94 94 LYS N N 94 116.036 116.036 118.722 -2.686 25439 4972 1 7 . 1 1 94 94 LYS HA H 94 3.803 3.803 3.542 0.261 25439 4973 1 7 . 1 1 94 94 LYS CA C 94 56.945 56.945 58.411 -1.466 25439 4974 1 7 . 1 1 94 94 LYS CB C 94 31.047 31.047 31.591 -0.544 25439 4975 1 7 . 1 1 94 94 LYS H H 94 7.012 7.012 7.830 -0.818 25439 4976 1 7 . 1 1 95 95 TRP N N 95 118.700 118.700 116.711 1.989 25439 4977 1 7 . 1 1 95 95 TRP HA H 95 4.814 4.814 4.493 0.321 25439 4978 1 7 . 1 1 95 95 TRP CA C 95 57.136 57.136 59.433 -2.297 25439 4979 1 7 . 1 1 95 95 TRP CB C 95 28.171 28.171 29.039 -0.868 25439 4980 1 7 . 1 1 95 95 TRP H H 95 7.611 7.611 7.422 0.189 25439 4981 1 7 . 1 1 96 96 ARG N N 96 113.031 113.031 116.123 -3.092 25439 4982 1 7 . 1 1 96 96 ARG HA H 96 4.233 4.233 4.286 -0.053 25439 4983 1 7 . 1 1 96 96 ARG CA C 96 56.234 56.234 58.049 -1.815 25439 4984 1 7 . 1 1 96 96 ARG CB C 96 30.245 30.245 30.727 -0.482 25439 4985 1 7 . 1 1 96 96 ARG H H 96 7.066 7.066 7.453 -0.387 25439 4986 1 7 . 1 1 97 97 LYS N N 97 123.252 123.252 119.382 3.870 25439 4987 1 7 . 1 1 97 97 LYS HA H 97 4.634 4.634 4.265 0.369 25439 4988 1 7 . 1 1 97 97 LYS CA C 97 54.937 54.937 57.029 -2.092 25439 4989 1 7 . 1 1 97 97 LYS CB C 97 34.166 34.166 32.832 1.334 25439 4990 1 7 . 1 1 97 97 LYS H H 97 8.467 8.467 8.016 0.451 25439 4991 1 7 . 1 1 98 98 THR N N 98 119.993 119.993 114.565 5.428 25439 4992 1 7 . 1 1 98 98 THR HA H 98 4.224 4.224 4.427 -0.203 25439 4993 1 7 . 1 1 98 98 THR CA C 98 64.670 64.670 62.252 2.418 25439 4994 1 7 . 1 1 98 98 THR CB C 98 69.200 69.200 69.231 -0.031 25439 4995 1 7 . 1 1 98 98 THR H H 98 8.329 8.329 8.262 0.067 25439 4996 1 7 . 1 1 99 99 GLY N N 99 116.645 116.645 113.200 3.445 25439 4997 1 7 . 1 1 99 99 GLY CA C 99 45.047 45.047 44.843 0.204 25439 4998 1 7 . 1 1 99 99 GLY H H 99 9.273 9.273 8.669 0.604 25439 4999 1 7 . 1 1 100 100 TYR N N 100 120.784 120.784 118.987 1.797 25439 5000 1 7 . 1 1 100 100 TYR HA H 100 4.704 4.704 4.782 -0.078 25439 5001 1 7 . 1 1 100 100 TYR CA C 100 57.697 57.697 55.877 1.820 25439 5002 1 7 . 1 1 100 100 TYR CB C 100 39.413 39.413 37.560 1.853 25439 5003 1 7 . 1 1 100 100 TYR H H 100 8.457 8.457 8.148 0.309 25439 5004 1 7 . 1 1 101 101 GLU N N 101 119.482 119.482 122.279 -2.797 25439 5005 1 7 . 1 1 101 101 GLU HA H 101 4.601 4.601 4.513 0.088 25439 5006 1 7 . 1 1 101 101 GLU CA C 101 61.207 61.207 57.125 4.082 25439 5007 1 7 . 1 1 101 101 GLU CB C 101 29.648 29.648 30.597 -0.949 25439 5008 1 7 . 1 1 101 101 GLU H H 101 9.836 9.836 8.725 1.111 25439 5009 1 7 . 1 1 102 102 LYS N N 102 115.179 115.179 120.683 -5.504 25439 5010 1 7 . 1 1 102 102 LYS HA H 102 4.295 4.295 4.683 -0.388 25439 5011 1 7 . 1 1 102 102 LYS CA C 102 54.207 54.207 55.409 -1.202 25439 5012 1 7 . 1 1 102 102 LYS CB C 102 32.489 32.489 32.822 -0.333 25439 5013 1 7 . 1 1 102 102 LYS H H 102 8.291 8.291 8.413 -0.122 25439 5014 1 7 . 1 1 103 103 LEU N N 103 119.637 119.637 118.875 0.762 25439 5015 1 7 . 1 1 103 103 LEU HA H 103 4.385 4.385 4.918 -0.533 25439 5016 1 7 . 1 1 103 103 LEU CA C 103 56.549 56.549 54.081 2.467 25439 5017 1 7 . 1 1 103 103 LEU CB C 103 43.864 43.864 44.591 -0.727 25439 5018 1 7 . 1 1 103 103 LEU H H 103 7.642 7.642 7.897 -0.255 25439 5019 1 7 . 1 1 104 104 CYS N N 104 129.651 129.651 116.850 12.801 25439 5020 1 7 . 1 1 104 104 CYS HA H 104 4.498 4.498 5.086 -0.588 25439 5021 1 7 . 1 1 104 104 CYS CA C 104 58.076 58.076 58.454 -0.378 25439 5022 1 7 . 1 1 104 104 CYS CB C 104 32.301 32.301 28.220 4.081 25439 5023 1 7 . 1 1 104 104 CYS H H 104 8.638 8.638 8.857 -0.219 25439 5024 1 7 . 1 1 105 105 CYS N N 105 120.206 120.206 117.976 2.230 25439 5025 1 7 . 1 1 105 105 CYS HA H 105 4.806 4.806 4.701 0.105 25439 5026 1 7 . 1 1 105 105 CYS CA C 105 58.271 58.271 57.193 1.078 25439 5027 1 7 . 1 1 105 105 CYS CB C 105 32.062 32.062 29.932 2.130 25439 5028 1 7 . 1 1 105 105 CYS H H 105 8.158 8.158 7.857 0.301 25439 5029 1 7 . 1 1 106 106 LEU N N 106 115.513 115.513 120.530 -5.017 25439 5030 1 7 . 1 1 106 106 LEU HA H 106 4.054 4.054 4.235 -0.181 25439 5031 1 7 . 1 1 106 106 LEU CA C 106 56.110 56.110 56.788 -0.678 25439 5032 1 7 . 1 1 106 106 LEU CB C 106 41.227 41.227 42.145 -0.918 25439 5033 1 7 . 1 1 106 106 LEU H H 106 8.466 8.466 7.987 0.479 25439 5034 1 7 . 1 1 107 107 ARG N N 107 122.711 122.711 119.536 3.175 25439 5035 1 7 . 1 1 107 107 ARG HA H 107 3.993 3.993 4.370 -0.377 25439 5036 1 7 . 1 1 107 107 ARG CA C 107 58.311 58.311 56.292 2.019 25439 5037 1 7 . 1 1 107 107 ARG CB C 107 28.965 28.965 29.800 -0.836 25439 5038 1 7 . 1 1 107 107 ARG H H 107 8.131 8.131 8.209 -0.078 25439 5039 1 7 . 1 1 108 108 CYS N N 108 119.055 119.055 118.026 1.029 25439 5040 1 7 . 1 1 108 108 CYS HA H 108 4.101 4.101 4.727 -0.626 25439 5041 1 7 . 1 1 108 108 CYS CA C 108 63.936 63.936 57.552 6.384 25439 5042 1 7 . 1 1 108 108 CYS CB C 108 30.934 30.934 27.339 3.595 25439 5043 1 7 . 1 1 108 108 CYS H H 108 8.010 8.010 7.905 0.105 25439 5044 1 7 . 1 1 109 109 ILE N N 109 107.315 107.315 112.595 -5.280 25439 5045 1 7 . 1 1 109 109 ILE HA H 109 4.684 4.684 4.500 0.184 25439 5046 1 7 . 1 1 109 109 ILE CA C 109 60.483 60.483 61.152 -0.669 25439 5047 1 7 . 1 1 109 109 ILE CB C 109 38.320 38.320 38.847 -0.527 25439 5048 1 7 . 1 1 109 109 ILE H H 109 7.105 7.105 7.623 -0.518 25439 5049 1 7 . 1 1 110 110 GLN N N 110 122.468 122.468 119.083 3.385 25439 5050 1 7 . 1 1 110 110 GLN HA H 110 4.268 4.268 4.530 -0.262 25439 5051 1 7 . 1 1 110 110 GLN CA C 110 55.981 55.981 55.023 0.958 25439 5052 1 7 . 1 1 110 110 GLN CB C 110 29.656 29.656 33.391 -3.735 25439 5053 1 7 . 1 1 110 110 GLN H H 110 7.156 7.156 7.935 -0.779 25439 5054 1 7 . 1 1 111 111 LYS N N 111 124.650 124.650 122.194 2.456 25439 5055 1 7 . 1 1 111 111 LYS HA H 111 4.246 4.246 4.622 -0.376 25439 5056 1 7 . 1 1 111 111 LYS CA C 111 56.546 56.546 55.718 0.828 25439 5057 1 7 . 1 1 111 111 LYS CB C 111 32.846 32.846 33.595 -0.749 25439 5058 1 7 . 1 1 111 111 LYS H H 111 8.522 8.522 8.422 0.100 25439 5059 1 7 . 1 1 112 112 ASN N N 112 120.972 120.972 117.258 3.714 25439 5060 1 7 . 1 1 112 112 ASN HA H 112 4.778 4.778 4.813 -0.035 25439 5061 1 7 . 1 1 112 112 ASN CA C 112 52.902 52.902 53.625 -0.723 25439 5062 1 7 . 1 1 112 112 ASN CB C 112 39.328 39.328 40.143 -0.815 25439 5063 1 7 . 1 1 112 112 ASN H H 112 8.360 8.360 8.606 -0.246 25439 5064 1 7 . 1 1 113 113 GLU N N 113 121.710 121.710 120.680 1.030 25439 5065 1 7 . 1 1 113 113 GLU HA H 113 4.248 4.248 4.741 -0.493 25439 5066 1 7 . 1 1 113 113 GLU CA C 113 58.611 58.611 55.500 3.111 25439 5067 1 7 . 1 1 113 113 GLU CB C 113 29.590 29.590 31.390 -1.800 25439 5068 1 7 . 1 1 113 113 GLU H H 113 9.023 9.023 8.506 0.517 25439 5069 1 7 . 1 1 114 114 THR N N 114 112.186 112.186 114.449 -2.263 25439 5070 1 7 . 1 1 114 114 THR HA H 114 4.321 4.321 4.616 -0.295 25439 5071 1 7 . 1 1 114 114 THR CA C 114 63.161 63.161 62.394 0.767 25439 5072 1 7 . 1 1 114 114 THR CB C 114 69.481 69.481 68.887 0.594 25439 5073 1 7 . 1 1 114 114 THR H H 114 8.112 8.112 8.553 -0.441 25439 5074 1 7 . 1 1 115 115 ASN N N 115 119.112 119.112 119.956 -0.844 25439 5075 1 7 . 1 1 115 115 ASN HA H 115 4.829 4.829 4.792 0.037 25439 5076 1 7 . 1 1 115 115 ASN CA C 115 53.110 53.110 53.609 -0.499 25439 5077 1 7 . 1 1 115 115 ASN CB C 115 38.659 38.659 40.065 -1.406 25439 5078 1 7 . 1 1 115 115 ASN H H 115 8.047 8.047 8.575 -0.528 25439 5079 1 7 . 1 1 116 116 ASN N N 116 117.175 117.175 119.402 -2.227 25439 5080 1 7 . 1 1 116 116 ASN HA H 116 4.615 4.615 4.855 -0.240 25439 5081 1 7 . 1 1 116 116 ASN CA C 116 53.965 53.965 53.089 0.876 25439 5082 1 7 . 1 1 116 116 ASN CB C 116 38.173 38.173 39.660 -1.487 25439 5083 1 7 . 1 1 116 116 ASN H H 116 8.364 8.364 8.190 0.174 25439 5084 1 7 . 1 1 117 117 GLY N N 117 107.294 107.294 109.935 -2.641 25439 5085 1 7 . 1 1 117 117 GLY CA C 117 45.882 45.882 44.883 0.999 25439 5086 1 7 . 1 1 117 117 GLY H H 117 8.264 8.264 8.360 -0.096 25439 5087 1 7 . 1 1 118 118 SER N N 118 115.475 115.475 121.988 -6.513 25439 5088 1 7 . 1 1 118 118 SER HA H 118 4.586 4.586 4.590 -0.004 25439 5089 1 7 . 1 1 118 118 SER CA C 118 57.974 57.974 57.646 0.328 25439 5090 1 7 . 1 1 118 118 SER CB C 118 64.479 64.479 65.106 -0.627 25439 5091 1 7 . 1 1 118 118 SER H H 118 7.905 7.905 8.330 -0.425 25439 5092 1 7 . 1 1 119 119 THR N N 119 111.360 111.360 115.703 -4.343 25439 5093 1 7 . 1 1 119 119 THR HA H 119 4.450 4.450 4.118 0.332 25439 5094 1 7 . 1 1 119 119 THR CA C 119 61.215 61.215 62.471 -1.256 25439 5095 1 7 . 1 1 119 119 THR CB C 119 70.569 70.569 68.850 1.719 25439 5096 1 7 . 1 1 119 119 THR H H 119 8.044 8.044 8.033 0.011 25439 5097 1 7 . 1 1 120 120 CYS N N 120 122.708 122.708 120.953 1.755 25439 5098 1 7 . 1 1 120 120 CYS HA H 120 4.255 4.255 4.648 -0.393 25439 5099 1 7 . 1 1 120 120 CYS CA C 120 61.469 61.469 57.948 3.521 25439 5100 1 7 . 1 1 120 120 CYS CB C 120 30.892 30.892 28.653 2.239 25439 5101 1 7 . 1 1 120 120 CYS H H 120 8.045 8.045 8.469 -0.424 25439 5102 1 7 . 1 1 121 121 ILE N N 121 132.463 132.463 124.135 8.328 25439 5103 1 7 . 1 1 121 121 ILE HA H 121 4.025 4.025 3.738 0.287 25439 5104 1 7 . 1 1 121 121 ILE CA C 121 63.353 63.353 63.234 0.119 25439 5105 1 7 . 1 1 121 121 ILE CB C 121 38.222 38.222 37.529 0.693 25439 5106 1 7 . 1 1 121 121 ILE H H 121 8.237 8.237 8.443 -0.206 25439 5107 1 7 . 1 1 122 122 CYS N N 122 123.931 123.931 117.469 6.462 25439 5108 1 7 . 1 1 122 122 CYS HA H 122 4.233 4.233 3.879 0.354 25439 5109 1 7 . 1 1 122 122 CYS CA C 122 60.230 60.230 60.361 -0.131 25439 5110 1 7 . 1 1 122 122 CYS CB C 122 30.602 30.602 25.913 4.689 25439 5111 1 7 . 1 1 122 122 CYS H H 122 9.355 9.355 7.477 1.878 25439 5112 1 7 . 1 1 123 123 ARG N N 123 119.561 119.561 120.596 -1.035 25439 5113 1 7 . 1 1 123 123 ARG HA H 123 4.150 4.150 4.347 -0.197 25439 5114 1 7 . 1 1 123 123 ARG CA C 123 53.177 53.177 58.347 -5.170 25439 5115 1 7 . 1 1 123 123 ARG CB C 123 27.961 27.961 30.638 -2.677 25439 5116 1 7 . 1 1 123 123 ARG H H 123 7.677 7.677 7.726 -0.049 25439 5117 1 7 . 1 1 124 124 VAL N N 124 122.794 122.794 120.864 1.930 25439 5118 1 7 . 1 1 124 124 VAL HA H 124 4.081 4.081 4.087 -0.006 25439 5119 1 7 . 1 1 124 124 VAL CA C 124 60.647 60.647 59.849 0.798 25439 5120 1 7 . 1 1 124 124 VAL CB C 124 32.857 32.857 30.890 1.967 25439 5121 1 7 . 1 1 124 124 VAL H H 124 7.578 7.578 7.193 0.385 25439 5122 1 7 . 1 1 125 125 PRO HA H 125 4.263 4.263 4.551 -0.288 25439 5123 1 7 . 1 1 125 125 PRO CA C 125 63.268 63.268 62.580 0.688 25439 5124 1 7 . 1 1 125 125 PRO CB C 125 32.379 32.379 32.903 -0.524 25439 5125 1 7 . 1 1 126 126 ARG N N 126 128.350 128.350 119.180 9.170 25439 5126 1 7 . 1 1 126 126 ARG HA H 126 3.912 3.912 4.110 -0.198 25439 5127 1 7 . 1 1 126 126 ARG CA C 126 59.653 59.653 59.420 0.233 25439 5128 1 7 . 1 1 126 126 ARG CB C 126 29.339 29.339 29.216 0.123 25439 5129 1 7 . 1 1 126 126 ARG H H 126 9.534 9.534 8.781 0.753 25439 5130 1 7 . 1 1 127 127 ALA N N 127 119.169 119.169 122.090 -2.921 25439 5131 1 7 . 1 1 127 127 ALA HA H 127 4.192 4.192 4.133 0.059 25439 5132 1 7 . 1 1 127 127 ALA CA C 127 55.227 55.227 55.171 0.056 25439 5133 1 7 . 1 1 127 127 ALA CB C 127 18.363 18.363 18.059 0.304 25439 5134 1 7 . 1 1 127 127 ALA H H 127 9.263 9.263 8.363 0.900 25439 5135 1 7 . 1 1 128 128 GLN N N 128 117.345 117.345 118.283 -0.938 25439 5136 1 7 . 1 1 128 128 GLN HA H 128 4.209 4.209 4.095 0.114 25439 5137 1 7 . 1 1 128 128 GLN CA C 128 58.506 58.506 58.811 -0.305 25439 5138 1 7 . 1 1 128 128 GLN CB C 128 28.220 28.220 28.293 -0.073 25439 5139 1 7 . 1 1 128 128 GLN H H 128 7.448 7.448 8.448 -1.000 25439 5140 1 7 . 1 1 129 129 LEU N N 129 120.561 120.561 120.221 0.340 25439 5141 1 7 . 1 1 129 129 LEU HA H 129 4.088 4.088 3.920 0.168 25439 5142 1 7 . 1 1 129 129 LEU CA C 129 57.952 57.952 57.854 0.098 25439 5143 1 7 . 1 1 129 129 LEU CB C 129 41.817 41.817 41.770 0.047 25439 5144 1 7 . 1 1 129 129 LEU H H 129 7.622 7.622 7.496 0.126 25439 5145 1 7 . 1 1 130 130 GLU N N 130 119.122 119.122 118.484 0.638 25439 5146 1 7 . 1 1 130 130 GLU HA H 130 3.956 3.956 3.924 0.032 25439 5147 1 7 . 1 1 130 130 GLU CA C 130 59.353 59.353 59.825 -0.472 25439 5148 1 7 . 1 1 130 130 GLU CB C 130 29.337 29.337 29.157 0.180 25439 5149 1 7 . 1 1 130 130 GLU H H 130 8.656 8.656 8.623 0.033 25439 5150 1 7 . 1 1 131 131 GLU N N 131 121.469 121.469 119.156 2.313 25439 5151 1 7 . 1 1 131 131 GLU HA H 131 4.163 4.163 3.994 0.169 25439 5152 1 7 . 1 1 131 131 GLU CA C 131 59.288 59.288 59.882 -0.594 25439 5153 1 7 . 1 1 131 131 GLU CB C 131 29.422 29.422 29.559 -0.137 25439 5154 1 7 . 1 1 131 131 GLU H H 131 7.922 7.922 7.790 0.132 25439 5155 1 7 . 1 1 132 132 GLU N N 132 119.241 119.241 118.715 0.526 25439 5156 1 7 . 1 1 132 132 GLU HA H 132 3.998 3.998 4.072 -0.074 25439 5157 1 7 . 1 1 132 132 GLU CA C 132 59.327 59.327 59.185 0.142 25439 5158 1 7 . 1 1 132 132 GLU CB C 132 29.421 29.421 29.274 0.147 25439 5159 1 7 . 1 1 132 132 GLU H H 132 8.099 8.099 7.508 0.591 25439 5160 1 7 . 1 1 133 133 ALA N N 133 121.302 121.302 122.001 -0.699 25439 5161 1 7 . 1 1 133 133 ALA HA H 133 4.053 4.053 4.023 0.030 25439 5162 1 7 . 1 1 133 133 ALA CA C 133 54.973 54.973 55.174 -0.201 25439 5163 1 7 . 1 1 133 133 ALA CB C 133 18.154 18.154 18.363 -0.209 25439 5164 1 7 . 1 1 133 133 ALA H H 133 7.795 7.795 7.551 0.244 25439 5165 1 7 . 1 1 134 134 ARG N N 134 118.757 118.757 117.328 1.429 25439 5166 1 7 . 1 1 134 134 ARG HA H 134 4.143 4.143 4.101 0.042 25439 5167 1 7 . 1 1 134 134 ARG CA C 134 59.438 59.438 58.596 0.842 25439 5168 1 7 . 1 1 134 134 ARG CB C 134 30.148 30.148 29.742 0.406 25439 5169 1 7 . 1 1 134 134 ARG H H 134 8.145 8.145 8.039 0.106 25439 5170 1 7 . 1 1 135 135 LYS N N 135 119.496 119.496 119.554 -0.058 25439 5171 1 7 . 1 1 135 135 LYS HA H 135 4.073 4.073 4.202 -0.129 25439 5172 1 7 . 1 1 135 135 LYS CA C 135 59.327 59.327 58.217 1.110 25439 5173 1 7 . 1 1 135 135 LYS CB C 135 32.539 32.539 32.317 0.222 25439 5174 1 7 . 1 1 135 135 LYS H H 135 8.036 8.036 7.739 0.297 25439 5175 1 7 . 1 1 136 136 LYS N N 136 116.645 116.645 117.224 -0.579 25439 5176 1 7 . 1 1 136 136 LYS HA H 136 4.362 4.362 4.468 -0.106 25439 5177 1 7 . 1 1 136 136 LYS CA C 136 56.575 56.575 55.472 1.103 25439 5178 1 7 . 1 1 136 136 LYS CB C 136 33.629 33.629 32.222 1.407 25439 5179 1 7 . 1 1 136 136 LYS H H 136 7.682 7.682 7.515 0.167 25439 5180 1 7 . 1 1 137 137 GLY N N 137 109.349 109.349 109.398 -0.049 25439 5181 1 7 . 1 1 137 137 GLY CA C 137 46.358 46.358 46.225 0.133 25439 5182 1 7 . 1 1 137 137 GLY H H 137 8.064 8.064 7.763 0.301 25439 5183 1 7 . 1 1 138 138 THR N N 138 112.870 112.870 112.727 0.143 25439 5184 1 7 . 1 1 138 138 THR HA H 138 4.735 4.735 4.685 0.050 25439 5185 1 7 . 1 1 138 138 THR CA C 138 59.308 59.308 60.550 -1.242 25439 5186 1 7 . 1 1 138 138 THR CB C 138 70.755 70.755 71.039 -0.284 25439 5187 1 7 . 1 1 138 138 THR H H 138 8.111 8.111 7.998 0.113 25439 5188 1 7 . 1 1 139 139 GLN N N 139 118.177 118.177 119.150 -0.973 25439 5189 1 7 . 1 1 139 139 GLN HA H 139 4.609 4.609 4.649 -0.040 25439 5190 1 7 . 1 1 139 139 GLN CA C 139 54.435 54.435 55.082 -0.647 25439 5191 1 7 . 1 1 139 139 GLN CB C 139 30.777 30.777 31.739 -0.962 25439 5192 1 7 . 1 1 139 139 GLN H H 139 8.227 8.227 8.224 0.003 25439 5193 1 7 . 1 1 140 140 VAL N N 140 123.601 123.601 118.459 5.142 25439 5194 1 7 . 1 1 140 140 VAL HA H 140 3.790 3.790 4.399 -0.609 25439 5195 1 7 . 1 1 140 140 VAL CA C 140 63.934 63.934 61.996 1.938 25439 5196 1 7 . 1 1 140 140 VAL CB C 140 32.154 32.154 33.837 -1.683 25439 5197 1 7 . 1 1 140 140 VAL H H 140 8.839 8.839 8.476 0.363 25439 5198 1 7 . 1 1 141 141 SER HA H 141 4.524 4.524 4.674 -0.150 25439 5199 1 7 . 1 1 141 141 SER CA C 141 57.841 57.841 57.783 0.058 25439 5200 1 7 . 1 1 141 141 SER CB C 141 64.174 64.174 63.823 0.351 25439 5201 1 7 . 1 1 142 142 PHE N N 142 123.726 123.726 126.006 -2.280 25439 5202 1 7 . 1 1 142 142 PHE HA H 142 4.458 4.458 4.705 -0.247 25439 5203 1 7 . 1 1 142 142 PHE CA C 142 58.673 58.673 57.899 0.774 25439 5204 1 7 . 1 1 142 142 PHE CB C 142 40.055 40.055 41.291 -1.236 25439 5205 1 7 . 1 1 142 142 PHE H H 142 7.534 7.534 8.251 -0.717 25439 5206 1 7 . 1 1 143 143 HIS N N 143 126.548 126.548 119.398 7.150 25439 5207 1 7 . 1 1 143 143 HIS HA H 143 4.336 4.336 4.436 -0.100 25439 5208 1 7 . 1 1 143 143 HIS CA C 143 56.837 56.837 56.080 0.758 25439 5209 1 7 . 1 1 143 143 HIS CB C 143 31.949 31.949 32.273 -0.324 25439 5210 1 7 . 1 1 143 143 HIS H H 143 8.308 8.308 7.171 1.137 25439 5211 1 7 . 1 1 144 144 GLN N N 144 115.094 115.094 116.290 -1.196 25439 5212 1 7 . 1 1 144 144 GLN HA H 144 4.433 4.433 4.430 0.003 25439 5213 1 7 . 1 1 144 144 GLN CA C 144 54.210 54.210 53.372 0.838 25439 5214 1 7 . 1 1 144 144 GLN CB C 144 32.925 32.925 31.605 1.320 25439 5215 1 7 . 1 1 144 144 GLN H H 144 7.203 7.203 6.953 0.250 25439 5216 1 7 . 1 1 145 145 CYS N N 145 123.088 123.088 118.039 5.049 25439 5217 1 7 . 1 1 145 145 CYS HA H 145 4.961 4.961 5.009 -0.048 25439 5218 1 7 . 1 1 145 145 CYS CA C 145 57.978 57.978 56.861 1.117 25439 5219 1 7 . 1 1 145 145 CYS CB C 145 33.555 33.555 29.848 3.707 25439 5220 1 7 . 1 1 145 145 CYS H H 145 8.668 8.668 8.549 0.119 25439 5221 1 7 . 1 1 146 146 VAL N N 146 113.265 113.265 121.228 -7.963 25439 5222 1 7 . 1 1 146 146 VAL HA H 146 4.238 4.238 4.183 0.055 25439 5223 1 7 . 1 1 146 146 VAL CA C 146 64.001 64.001 64.992 -0.991 25439 5224 1 7 . 1 1 146 146 VAL CB C 146 32.157 32.157 32.264 -0.107 25439 5225 1 7 . 1 1 146 146 VAL H H 146 8.198 8.198 8.445 -0.247 25439 5226 1 7 . 1 1 147 147 HIS N N 147 120.556 120.556 118.221 2.335 25439 5227 1 7 . 1 1 147 147 HIS HA H 147 4.604 4.604 4.353 0.251 25439 5228 1 7 . 1 1 147 147 HIS CA C 147 58.708 58.708 58.327 0.381 25439 5229 1 7 . 1 1 147 147 HIS CB C 147 32.204 32.204 29.332 2.872 25439 5230 1 7 . 1 1 147 147 HIS H H 147 7.151 7.151 8.344 -1.193 25439 5231 1 7 . 1 1 148 148 CYS N N 148 112.110 112.110 112.224 -0.114 25439 5232 1 7 . 1 1 148 148 CYS HA H 148 4.889 4.889 4.825 0.064 25439 5233 1 7 . 1 1 148 148 CYS CA C 148 57.952 57.952 55.622 2.330 25439 5234 1 7 . 1 1 148 148 CYS CB C 148 32.956 32.956 30.234 2.722 25439 5235 1 7 . 1 1 148 148 CYS H H 148 7.413 7.413 7.264 0.149 25439 5236 1 7 . 1 1 149 149 GLY N N 149 112.797 112.797 108.221 4.576 25439 5237 1 7 . 1 1 149 149 GLY CA C 149 45.327 45.327 44.299 1.028 25439 5238 1 7 . 1 1 149 149 GLY H H 149 6.949 6.949 8.283 -1.334 25439 5239 1 7 . 1 1 150 150 CYS N N 150 127.277 127.277 120.327 6.950 25439 5240 1 7 . 1 1 150 150 CYS HA H 150 3.932 3.932 4.558 -0.626 25439 5241 1 7 . 1 1 150 150 CYS CA C 150 61.362 61.362 57.389 3.973 25439 5242 1 7 . 1 1 150 150 CYS CB C 150 30.632 30.632 29.424 1.208 25439 5243 1 7 . 1 1 150 150 CYS H H 150 8.240 8.240 7.136 1.104 25439 5244 1 7 . 1 1 151 151 ARG N N 151 125.476 125.476 126.559 -1.083 25439 5245 1 7 . 1 1 151 151 ARG HA H 151 4.775 4.775 4.334 0.441 25439 5246 1 7 . 1 1 151 151 ARG CA C 151 56.164 56.164 55.394 0.770 25439 5247 1 7 . 1 1 151 151 ARG CB C 151 30.354 30.354 29.650 0.704 25439 5248 1 7 . 1 1 151 151 ARG H H 151 8.492 8.492 8.633 -0.141 25439 5249 1 7 . 1 1 152 152 GLY N N 152 117.275 117.275 108.563 8.712 25439 5250 1 7 . 1 1 152 152 GLY CA C 152 45.523 45.523 45.237 0.286 25439 5251 1 7 . 1 1 152 152 GLY H H 152 9.812 9.812 7.971 1.841 25439 5252 1 7 . 1 1 153 153 CYS N N 153 126.187 126.187 118.679 7.508 25439 5253 1 7 . 1 1 153 153 CYS HA H 153 4.842 4.842 4.835 0.007 25439 5254 1 7 . 1 1 153 153 CYS CA C 153 57.130 57.130 55.775 1.355 25439 5255 1 7 . 1 1 153 153 CYS CB C 153 31.368 31.368 28.027 3.341 25439 5256 1 7 . 1 1 153 153 CYS H H 153 8.930 8.930 8.228 0.702 25439 5257 1 7 . 1 1 154 154 ALA N N 154 125.869 125.869 125.510 0.359 25439 5258 1 7 . 1 1 154 154 ALA HA H 154 4.159 4.159 4.974 -0.815 25439 5259 1 7 . 1 1 154 154 ALA CA C 154 53.187 53.187 51.587 1.600 25439 5260 1 7 . 1 1 154 154 ALA CB C 154 18.937 18.937 21.442 -2.505 25439 5261 1 7 . 1 1 154 154 ALA H H 154 8.616 8.616 8.485 0.131 25439 5262 1 7 . 1 1 155 155 SER N N 155 116.724 116.724 118.349 -1.625 25439 5263 1 7 . 1 1 155 155 SER HA H 155 4.283 4.283 4.646 -0.363 25439 5264 1 7 . 1 1 155 155 SER CA C 155 60.136 60.136 58.961 1.175 25439 5265 1 7 . 1 1 155 155 SER CB C 155 63.575 63.575 63.717 -0.141 25439 5266 1 7 . 1 1 155 155 SER H H 155 9.358 9.358 8.746 0.612 25439 5267 1 7 . 1 1 156 156 THR N N 156 111.893 111.893 113.433 -1.540 25439 5268 1 7 . 1 1 156 156 THR HA H 156 4.358 4.358 4.452 -0.094 25439 5269 1 7 . 1 1 156 156 THR CA C 156 61.264 61.264 62.980 -1.716 25439 5270 1 7 . 1 1 156 156 THR CB C 156 69.999 69.999 70.121 -0.121 25439 5271 1 7 . 1 1 156 156 THR H H 156 7.638 7.638 7.980 -0.342 25439 5272 1 8 . 1 1 0 0 GLY CA C 0 43.750 43.750 44.710 -0.960 25439 5273 1 8 . 1 1 1 1 SER N N 1 117.201 117.201 115.318 1.883 25439 5274 1 8 . 1 1 1 1 SER HA H 1 4.809 4.809 4.665 0.144 25439 5275 1 8 . 1 1 1 1 SER CA C 1 56.525 56.525 56.802 -0.277 25439 5276 1 8 . 1 1 1 1 SER CB C 1 63.385 63.385 65.261 -1.876 25439 5277 1 8 . 1 1 1 1 SER H H 1 8.381 8.381 8.213 0.169 25439 5278 1 8 . 1 1 2 2 PRO HA H 2 4.468 4.468 4.527 -0.059 25439 5279 1 8 . 1 1 2 2 PRO CA C 2 63.292 63.292 62.877 0.415 25439 5280 1 8 . 1 1 2 2 PRO CB C 2 32.174 32.174 31.886 0.288 25439 5281 1 8 . 1 1 3 3 ARG N N 3 121.649 121.649 123.449 -1.800 25439 5282 1 8 . 1 1 3 3 ARG HA H 3 4.324 4.324 4.665 -0.341 25439 5283 1 8 . 1 1 3 3 ARG CA C 3 56.226 56.226 55.982 0.244 25439 5284 1 8 . 1 1 3 3 ARG CB C 3 30.732 30.732 32.343 -1.611 25439 5285 1 8 . 1 1 3 3 ARG H H 3 8.428 8.428 8.604 -0.176 25439 5286 1 8 . 1 1 4 4 ILE N N 4 122.500 122.500 124.962 -2.462 25439 5287 1 8 . 1 1 4 4 ILE HA H 4 4.181 4.181 4.370 -0.189 25439 5288 1 8 . 1 1 4 4 ILE CA C 4 60.943 60.943 62.239 -1.296 25439 5289 1 8 . 1 1 4 4 ILE CB C 4 38.751 38.751 38.678 0.073 25439 5290 1 8 . 1 1 4 4 ILE H H 4 8.165 8.165 8.505 -0.340 25439 5291 1 8 . 1 1 5 5 LYS N N 5 126.237 126.237 121.115 5.122 25439 5292 1 8 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.544 -0.142 25439 5293 1 8 . 1 1 5 5 LYS CA C 5 56.422 56.422 56.836 -0.414 25439 5294 1 8 . 1 1 5 5 LYS CB C 5 33.130 33.130 33.392 -0.262 25439 5295 1 8 . 1 1 5 5 LYS H H 5 8.500 8.500 8.240 0.260 25439 5296 1 8 . 1 1 6 6 THR N N 6 116.495 116.495 113.959 2.536 25439 5297 1 8 . 1 1 6 6 THR HA H 6 4.323 4.323 4.655 -0.332 25439 5298 1 8 . 1 1 6 6 THR CA C 6 61.918 61.918 61.768 0.150 25439 5299 1 8 . 1 1 6 6 THR CB C 6 69.963 69.963 68.733 1.230 25439 5300 1 8 . 1 1 6 6 THR H H 6 8.194 8.194 7.954 0.240 25439 5301 1 8 . 1 1 7 7 ARG N N 7 124.128 124.128 124.360 -0.232 25439 5302 1 8 . 1 1 7 7 ARG HA H 7 4.396 4.396 4.424 -0.028 25439 5303 1 8 . 1 1 7 7 ARG CA C 7 56.128 56.128 56.334 -0.207 25439 5304 1 8 . 1 1 7 7 ARG CB C 7 30.953 30.953 31.315 -0.362 25439 5305 1 8 . 1 1 7 7 ARG H H 7 8.458 8.458 8.600 -0.142 25439 5306 1 8 . 1 1 8 8 ARG N N 8 123.384 123.384 121.339 2.045 25439 5307 1 8 . 1 1 8 8 ARG HA H 8 4.424 4.424 4.588 -0.164 25439 5308 1 8 . 1 1 8 8 ARG CA C 8 56.011 56.011 55.672 0.339 25439 5309 1 8 . 1 1 8 8 ARG CB C 8 31.058 31.058 31.684 -0.626 25439 5310 1 8 . 1 1 8 8 ARG H H 8 8.526 8.526 8.339 0.187 25439 5311 1 8 . 1 1 9 9 SER N N 9 118.446 118.446 116.135 2.311 25439 5312 1 8 . 1 1 9 9 SER HA H 9 4.473 4.473 4.837 -0.364 25439 5313 1 8 . 1 1 9 9 SER CA C 9 58.568 58.568 57.789 0.779 25439 5314 1 8 . 1 1 9 9 SER CB C 9 63.986 63.986 64.954 -0.968 25439 5315 1 8 . 1 1 9 9 SER H H 9 8.450 8.450 8.334 0.116 25439 5316 1 8 . 1 1 10 10 LYS N N 10 124.117 124.117 122.650 1.467 25439 5317 1 8 . 1 1 10 10 LYS HA H 10 4.673 4.673 4.660 0.013 25439 5318 1 8 . 1 1 10 10 LYS CA C 10 54.412 54.412 53.966 0.446 25439 5319 1 8 . 1 1 10 10 LYS CB C 10 32.693 32.693 32.549 0.144 25439 5320 1 8 . 1 1 10 10 LYS H H 10 8.426 8.426 8.341 0.085 25439 5321 1 8 . 1 1 11 11 PRO HA H 11 4.360 4.360 4.482 -0.122 25439 5322 1 8 . 1 1 11 11 PRO CA C 11 62.861 62.861 62.362 0.499 25439 5323 1 8 . 1 1 11 11 PRO CB C 11 32.106 32.106 32.282 -0.177 25439 5324 1 8 . 1 1 12 12 ALA N N 12 124.420 124.420 121.033 3.387 25439 5325 1 8 . 1 1 12 12 ALA HA H 12 2.889 2.889 2.726 0.163 25439 5326 1 8 . 1 1 12 12 ALA CA C 12 49.735 49.735 50.893 -1.158 25439 5327 1 8 . 1 1 12 12 ALA CB C 12 18.066 18.066 16.533 1.533 25439 5328 1 8 . 1 1 12 12 ALA H H 12 7.890 7.890 7.784 0.106 25439 5329 1 8 . 1 1 13 13 PRO HA H 13 4.207 4.207 4.442 -0.235 25439 5330 1 8 . 1 1 13 13 PRO CA C 13 62.111 62.111 61.696 0.415 25439 5331 1 8 . 1 1 13 13 PRO CB C 13 32.582 32.582 32.391 0.191 25439 5332 1 8 . 1 1 14 14 ASP N N 14 119.535 119.535 120.336 -0.801 25439 5333 1 8 . 1 1 14 14 ASP HA H 14 4.379 4.379 4.288 0.091 25439 5334 1 8 . 1 1 14 14 ASP CA C 14 56.427 56.427 58.065 -1.638 25439 5335 1 8 . 1 1 14 14 ASP CB C 14 41.177 41.177 40.348 0.829 25439 5336 1 8 . 1 1 14 14 ASP H H 14 8.206 8.206 8.691 -0.485 25439 5337 1 8 . 1 1 15 15 GLY N N 15 113.273 113.273 108.260 5.013 25439 5338 1 8 . 1 1 15 15 GLY CA C 15 45.146 45.146 46.798 -1.653 25439 5339 1 8 . 1 1 15 15 GLY H H 15 8.723 8.723 8.505 0.218 25439 5340 1 8 . 1 1 16 16 PHE N N 16 123.113 123.113 122.828 0.285 25439 5341 1 8 . 1 1 16 16 PHE HA H 16 4.125 4.125 4.228 -0.103 25439 5342 1 8 . 1 1 16 16 PHE CA C 16 60.715 60.715 59.533 1.182 25439 5343 1 8 . 1 1 16 16 PHE CB C 16 39.639 39.639 39.113 0.526 25439 5344 1 8 . 1 1 16 16 PHE H H 16 8.127 8.127 8.325 -0.198 25439 5345 1 8 . 1 1 17 17 GLU N N 17 115.695 115.695 119.532 -3.837 25439 5346 1 8 . 1 1 17 17 GLU HA H 17 3.768 3.768 3.832 -0.064 25439 5347 1 8 . 1 1 17 17 GLU CA C 17 59.234 59.234 59.285 -0.051 25439 5348 1 8 . 1 1 17 17 GLU CB C 17 28.495 28.495 29.240 -0.745 25439 5349 1 8 . 1 1 17 17 GLU H H 17 9.088 9.088 8.048 1.040 25439 5350 1 8 . 1 1 18 18 LYS N N 18 115.887 115.887 118.178 -2.291 25439 5351 1 8 . 1 1 18 18 LYS HA H 18 4.165 4.165 4.061 0.104 25439 5352 1 8 . 1 1 18 18 LYS CA C 18 58.249 58.249 58.815 -0.565 25439 5353 1 8 . 1 1 18 18 LYS CB C 18 32.725 32.725 32.732 -0.007 25439 5354 1 8 . 1 1 18 18 LYS H H 18 7.285 7.285 7.822 -0.537 25439 5355 1 8 . 1 1 19 19 ILE N N 19 110.277 110.277 111.205 -0.928 25439 5356 1 8 . 1 1 19 19 ILE HA H 19 4.722 4.722 4.677 0.045 25439 5357 1 8 . 1 1 19 19 ILE CA C 19 61.093 61.093 59.860 1.233 25439 5358 1 8 . 1 1 19 19 ILE CB C 19 39.139 39.139 38.104 1.035 25439 5359 1 8 . 1 1 19 19 ILE H H 19 7.031 7.031 7.429 -0.398 25439 5360 1 8 . 1 1 20 20 LYS N N 20 124.540 124.540 122.899 1.641 25439 5361 1 8 . 1 1 20 20 LYS HA H 20 3.603 3.603 3.722 -0.119 25439 5362 1 8 . 1 1 20 20 LYS CA C 20 60.917 60.917 59.330 1.587 25439 5363 1 8 . 1 1 20 20 LYS CB C 20 30.210 30.210 30.699 -0.489 25439 5364 1 8 . 1 1 20 20 LYS H H 20 7.666 7.666 7.439 0.227 25439 5365 1 8 . 1 1 21 21 PRO HA H 21 4.292 4.292 4.527 -0.235 25439 5366 1 8 . 1 1 21 21 PRO CA C 21 66.990 66.990 65.048 1.942 25439 5367 1 8 . 1 1 21 21 PRO CB C 21 30.779 30.779 31.826 -1.047 25439 5368 1 8 . 1 1 22 22 THR N N 22 114.917 114.917 115.133 -0.216 25439 5369 1 8 . 1 1 22 22 THR HA H 22 3.866 3.866 4.081 -0.215 25439 5370 1 8 . 1 1 22 22 THR CA C 22 66.575 66.575 66.354 0.221 25439 5371 1 8 . 1 1 22 22 THR CB C 22 68.731 68.731 68.575 0.156 25439 5372 1 8 . 1 1 22 22 THR H H 22 7.331 7.331 8.229 -0.898 25439 5373 1 8 . 1 1 23 23 LEU N N 23 120.152 120.152 120.239 -0.087 25439 5374 1 8 . 1 1 23 23 LEU HA H 23 4.397 4.397 3.926 0.471 25439 5375 1 8 . 1 1 23 23 LEU CA C 23 58.740 58.740 57.775 0.965 25439 5376 1 8 . 1 1 23 23 LEU CB C 23 40.489 40.489 41.908 -1.419 25439 5377 1 8 . 1 1 23 23 LEU H H 23 7.991 7.991 7.571 0.420 25439 5378 1 8 . 1 1 24 24 THR N N 24 119.365 119.365 115.215 4.150 25439 5379 1 8 . 1 1 24 24 THR HA H 24 4.095 4.095 4.008 0.087 25439 5380 1 8 . 1 1 24 24 THR CA C 24 66.834 66.834 66.077 0.757 25439 5381 1 8 . 1 1 24 24 THR CB C 24 68.614 68.614 67.919 0.695 25439 5382 1 8 . 1 1 24 24 THR H H 24 9.175 9.175 7.494 1.681 25439 5383 1 8 . 1 1 25 25 ASP N N 25 122.865 122.865 121.434 1.431 25439 5384 1 8 . 1 1 25 25 ASP HA H 25 4.483 4.483 4.390 0.093 25439 5385 1 8 . 1 1 25 25 ASP CA C 25 58.158 58.158 57.383 0.775 25439 5386 1 8 . 1 1 25 25 ASP CB C 25 40.329 40.329 40.410 -0.082 25439 5387 1 8 . 1 1 25 25 ASP H H 25 7.714 7.714 7.673 0.041 25439 5388 1 8 . 1 1 26 26 PHE N N 26 116.182 116.182 118.585 -2.403 25439 5389 1 8 . 1 1 26 26 PHE HA H 26 4.457 4.457 4.078 0.379 25439 5390 1 8 . 1 1 26 26 PHE CA C 26 62.531 62.531 62.108 0.423 25439 5391 1 8 . 1 1 26 26 PHE CB C 26 39.468 39.468 38.800 0.668 25439 5392 1 8 . 1 1 26 26 PHE H H 26 7.816 7.816 7.913 -0.097 25439 5393 1 8 . 1 1 27 27 GLU N N 27 120.107 120.107 119.313 0.794 25439 5394 1 8 . 1 1 27 27 GLU HA H 27 4.113 4.113 4.013 0.100 25439 5395 1 8 . 1 1 27 27 GLU CA C 27 59.852 59.852 59.781 0.071 25439 5396 1 8 . 1 1 27 27 GLU CB C 27 29.692 29.692 29.235 0.457 25439 5397 1 8 . 1 1 27 27 GLU H H 27 8.068 8.068 7.856 0.212 25439 5398 1 8 . 1 1 28 28 ILE N N 28 121.494 121.494 119.908 1.586 25439 5399 1 8 . 1 1 28 28 ILE HA H 28 3.718 3.718 3.738 -0.020 25439 5400 1 8 . 1 1 28 28 ILE CA C 28 65.002 65.002 65.054 -0.052 25439 5401 1 8 . 1 1 28 28 ILE CB C 28 38.023 38.023 37.834 0.188 25439 5402 1 8 . 1 1 28 28 ILE H H 28 8.531 8.531 7.421 1.110 25439 5403 1 8 . 1 1 29 29 GLN N N 29 118.941 118.941 120.080 -1.139 25439 5404 1 8 . 1 1 29 29 GLN HA H 29 4.180 4.180 3.992 0.188 25439 5405 1 8 . 1 1 29 29 GLN CA C 29 59.507 59.507 59.218 0.289 25439 5406 1 8 . 1 1 29 29 GLN CB C 29 29.783 29.783 28.795 0.988 25439 5407 1 8 . 1 1 29 29 GLN H H 29 8.117 8.117 7.498 0.619 25439 5408 1 8 . 1 1 30 30 LEU N N 30 121.724 121.724 120.981 0.743 25439 5409 1 8 . 1 1 30 30 LEU HA H 30 4.032 4.032 4.042 -0.010 25439 5410 1 8 . 1 1 30 30 LEU CA C 30 58.333 58.333 58.124 0.209 25439 5411 1 8 . 1 1 30 30 LEU CB C 30 42.339 42.339 41.995 0.344 25439 5412 1 8 . 1 1 30 30 LEU H H 30 8.677 8.677 8.669 0.008 25439 5413 1 8 . 1 1 31 31 ARG N N 31 120.629 120.629 119.573 1.056 25439 5414 1 8 . 1 1 31 31 ARG HA H 31 4.105 4.105 3.866 0.239 25439 5415 1 8 . 1 1 31 31 ARG CA C 31 59.340 59.340 60.432 -1.092 25439 5416 1 8 . 1 1 31 31 ARG CB C 31 30.044 30.044 29.801 0.243 25439 5417 1 8 . 1 1 31 31 ARG H H 31 8.227 8.227 8.598 -0.371 25439 5418 1 8 . 1 1 32 32 ASP N N 32 120.233 120.233 119.809 0.424 25439 5419 1 8 . 1 1 32 32 ASP HA H 32 4.484 4.484 4.373 0.111 25439 5420 1 8 . 1 1 32 32 ASP CA C 32 57.199 57.199 58.316 -1.117 25439 5421 1 8 . 1 1 32 32 ASP CB C 32 40.202 40.202 40.566 -0.365 25439 5422 1 8 . 1 1 32 32 ASP H H 32 8.407 8.407 7.684 0.723 25439 5423 1 8 . 1 1 33 33 ALA N N 33 121.939 121.939 121.621 0.318 25439 5424 1 8 . 1 1 33 33 ALA HA H 33 4.321 4.321 4.106 0.215 25439 5425 1 8 . 1 1 33 33 ALA CA C 33 54.207 54.207 55.046 -0.839 25439 5426 1 8 . 1 1 33 33 ALA CB C 33 18.738 18.738 18.385 0.353 25439 5427 1 8 . 1 1 33 33 ALA H H 33 8.057 8.057 7.435 0.622 25439 5428 1 8 . 1 1 34 34 GLN N N 34 114.736 114.736 117.016 -2.280 25439 5429 1 8 . 1 1 34 34 GLN HA H 34 4.248 4.248 4.123 0.125 25439 5430 1 8 . 1 1 34 34 GLN CA C 34 56.567 56.567 58.637 -2.070 25439 5431 1 8 . 1 1 34 34 GLN CB C 34 29.743 29.743 28.841 0.902 25439 5432 1 8 . 1 1 34 34 GLN H H 34 7.746 7.746 8.557 -0.811 25439 5433 1 8 . 1 1 35 35 LYS N N 35 120.534 120.534 118.380 2.154 25439 5434 1 8 . 1 1 35 35 LYS HA H 35 4.232 4.232 4.349 -0.117 25439 5435 1 8 . 1 1 35 35 LYS CA C 35 57.427 57.427 58.063 -0.636 25439 5436 1 8 . 1 1 35 35 LYS CB C 35 32.887 32.887 32.948 -0.061 25439 5437 1 8 . 1 1 35 35 LYS H H 35 7.570 7.570 8.146 -0.576 25439 5438 1 8 . 1 1 36 36 ASP N N 36 120.943 120.943 121.482 -0.539 25439 5439 1 8 . 1 1 36 36 ASP HA H 36 4.595 4.595 4.394 0.201 25439 5440 1 8 . 1 1 36 36 ASP CA C 36 54.983 54.983 57.375 -2.392 25439 5441 1 8 . 1 1 36 36 ASP CB C 36 41.129 41.129 40.328 0.801 25439 5442 1 8 . 1 1 36 36 ASP H H 36 8.375 8.375 8.716 -0.341 25439 5443 1 8 . 1 1 37 37 LYS N N 37 122.598 122.598 119.513 3.085 25439 5444 1 8 . 1 1 37 37 LYS HA H 37 4.365 4.365 4.061 0.304 25439 5445 1 8 . 1 1 37 37 LYS CA C 37 56.725 56.725 58.875 -2.150 25439 5446 1 8 . 1 1 37 37 LYS CB C 37 32.823 32.823 32.536 0.287 25439 5447 1 8 . 1 1 37 37 LYS H H 37 8.446 8.446 7.498 0.948 25439 5448 1 8 . 1 1 38 38 SER N N 38 115.849 115.849 112.633 3.216 25439 5449 1 8 . 1 1 38 38 SER HA H 38 4.423 4.423 4.566 -0.143 25439 5450 1 8 . 1 1 38 38 SER CA C 38 59.193 59.193 57.648 1.545 25439 5451 1 8 . 1 1 38 38 SER CB C 38 63.744 63.744 63.556 0.188 25439 5452 1 8 . 1 1 38 38 SER H H 38 8.392 8.392 7.684 0.708 25439 5453 1 8 . 1 1 39 39 SER N N 39 117.258 117.258 115.888 1.370 25439 5454 1 8 . 1 1 39 39 SER HA H 39 4.445 4.445 4.631 -0.186 25439 5455 1 8 . 1 1 39 39 SER CA C 39 58.933 58.933 59.479 -0.546 25439 5456 1 8 . 1 1 39 39 SER CB C 39 63.711 63.711 65.559 -1.848 25439 5457 1 8 . 1 1 39 39 SER H H 39 8.283 8.283 8.102 0.181 25439 5458 1 8 . 1 1 40 40 LYS N N 40 122.427 122.427 123.339 -0.912 25439 5459 1 8 . 1 1 40 40 LYS HA H 40 4.321 4.321 4.522 -0.201 25439 5460 1 8 . 1 1 40 40 LYS CA C 40 56.847 56.847 55.731 1.116 25439 5461 1 8 . 1 1 40 40 LYS CB C 40 32.764 32.764 33.379 -0.615 25439 5462 1 8 . 1 1 40 40 LYS H H 40 8.263 8.263 7.925 0.338 25439 5463 1 8 . 1 1 41 41 LEU N N 41 121.281 121.281 126.708 -5.427 25439 5464 1 8 . 1 1 41 41 LEU HA H 41 4.308 4.308 4.631 -0.323 25439 5465 1 8 . 1 1 41 41 LEU CA C 41 55.335 55.335 54.826 0.509 25439 5466 1 8 . 1 1 41 41 LEU CB C 41 42.212 42.212 41.447 0.765 25439 5467 1 8 . 1 1 41 41 LEU H H 41 8.068 8.068 8.936 -0.868 25439 5468 1 8 . 1 1 42 42 ALA N N 42 123.964 123.964 125.656 -1.692 25439 5469 1 8 . 1 1 42 42 ALA HA H 42 4.274 4.274 4.387 -0.113 25439 5470 1 8 . 1 1 42 42 ALA CA C 42 52.851 52.851 52.452 0.399 25439 5471 1 8 . 1 1 42 42 ALA CB C 42 19.135 19.135 19.270 -0.135 25439 5472 1 8 . 1 1 42 42 ALA H H 42 8.111 8.111 8.617 -0.506 25439 5473 1 8 . 1 1 43 43 ALA N N 43 122.146 122.146 121.863 0.283 25439 5474 1 8 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.346 -0.049 25439 5475 1 8 . 1 1 43 43 ALA CA C 43 52.727 52.727 51.366 1.361 25439 5476 1 8 . 1 1 43 43 ALA CB C 43 19.318 19.318 20.468 -1.150 25439 5477 1 8 . 1 1 43 43 ALA H H 43 8.101 8.101 7.664 0.437 25439 5478 1 8 . 1 1 44 44 LYS N N 44 119.454 119.454 120.398 -0.944 25439 5479 1 8 . 1 1 44 44 LYS HA H 44 4.349 4.349 4.046 0.303 25439 5480 1 8 . 1 1 44 44 LYS CA C 44 56.267 56.267 56.728 -0.461 25439 5481 1 8 . 1 1 44 44 LYS CB C 44 32.825 32.825 31.578 1.247 25439 5482 1 8 . 1 1 44 44 LYS H H 44 8.198 8.198 8.398 -0.200 25439 5483 1 8 . 1 1 45 45 SER N N 45 116.660 116.660 116.779 -0.119 25439 5484 1 8 . 1 1 45 45 SER HA H 45 4.368 4.368 4.459 -0.091 25439 5485 1 8 . 1 1 45 45 SER CA C 45 58.477 58.477 59.434 -0.957 25439 5486 1 8 . 1 1 45 45 SER CB C 45 64.063 64.063 64.059 0.004 25439 5487 1 8 . 1 1 45 45 SER H H 45 8.251 8.251 8.205 0.046 25439 5488 1 8 . 1 1 46 46 ASN N N 46 120.516 120.516 120.381 0.135 25439 5489 1 8 . 1 1 46 46 ASN HA H 46 4.361 4.361 4.290 0.071 25439 5490 1 8 . 1 1 46 46 ASN CA C 46 54.657 54.657 55.954 -1.297 25439 5491 1 8 . 1 1 46 46 ASN CB C 46 37.649 37.649 37.809 -0.160 25439 5492 1 8 . 1 1 46 46 ASN H H 46 8.498 8.498 8.562 -0.064 25439 5493 1 8 . 1 1 47 47 GLU N N 47 117.964 117.964 118.495 -0.531 25439 5494 1 8 . 1 1 47 47 GLU HA H 47 3.350 3.350 2.855 0.495 25439 5495 1 8 . 1 1 47 47 GLU CA C 47 59.213 59.213 58.555 0.658 25439 5496 1 8 . 1 1 47 47 GLU CB C 47 28.998 28.998 28.716 0.282 25439 5497 1 8 . 1 1 47 47 GLU H H 47 8.016 8.016 8.074 -0.058 25439 5498 1 8 . 1 1 48 48 GLN N N 48 119.468 119.468 118.608 0.860 25439 5499 1 8 . 1 1 48 48 GLN HA H 48 4.250 4.250 3.990 0.260 25439 5500 1 8 . 1 1 48 48 GLN CA C 48 58.529 58.529 58.675 -0.146 25439 5501 1 8 . 1 1 48 48 GLN CB C 48 28.902 28.902 28.444 0.459 25439 5502 1 8 . 1 1 48 48 GLN H H 48 7.892 7.892 7.513 0.379 25439 5503 1 8 . 1 1 49 49 LEU N N 49 120.145 120.145 119.545 0.600 25439 5504 1 8 . 1 1 49 49 LEU HA H 49 4.232 4.232 4.026 0.206 25439 5505 1 8 . 1 1 49 49 LEU CA C 49 57.479 57.479 57.275 0.204 25439 5506 1 8 . 1 1 49 49 LEU CB C 49 41.391 41.391 41.579 -0.188 25439 5507 1 8 . 1 1 49 49 LEU H H 49 7.699 7.699 7.433 0.266 25439 5508 1 8 . 1 1 50 50 TRP N N 50 119.596 119.596 117.409 2.187 25439 5509 1 8 . 1 1 50 50 TRP HA H 50 4.520 4.520 4.418 0.102 25439 5510 1 8 . 1 1 50 50 TRP CA C 50 58.353 58.353 58.011 0.342 25439 5511 1 8 . 1 1 50 50 TRP CB C 50 28.880 28.880 28.197 0.683 25439 5512 1 8 . 1 1 50 50 TRP H H 50 8.385 8.385 7.575 0.810 25439 5513 1 8 . 1 1 51 51 GLU N N 51 119.362 119.362 119.502 -0.140 25439 5514 1 8 . 1 1 51 51 GLU HA H 51 4.145 4.145 4.160 -0.015 25439 5515 1 8 . 1 1 51 51 GLU CA C 51 60.035 60.035 59.268 0.767 25439 5516 1 8 . 1 1 51 51 GLU CB C 51 29.675 29.675 29.416 0.259 25439 5517 1 8 . 1 1 51 51 GLU H H 51 8.223 8.223 7.683 0.540 25439 5518 1 8 . 1 1 52 52 ILE N N 52 119.018 119.018 119.287 -0.269 25439 5519 1 8 . 1 1 52 52 ILE HA H 52 3.673 3.673 3.770 -0.097 25439 5520 1 8 . 1 1 52 52 ILE CA C 52 65.511 65.511 65.103 0.408 25439 5521 1 8 . 1 1 52 52 ILE CB C 52 38.532 38.532 38.139 0.393 25439 5522 1 8 . 1 1 52 52 ILE H H 52 7.801 7.801 7.535 0.266 25439 5523 1 8 . 1 1 53 53 MET N N 53 118.133 118.133 117.695 0.438 25439 5524 1 8 . 1 1 53 53 MET HA H 53 4.452 4.452 4.116 0.336 25439 5525 1 8 . 1 1 53 53 MET CA C 53 58.216 58.216 58.258 -0.042 25439 5526 1 8 . 1 1 53 53 MET CB C 53 31.838 31.838 31.673 0.165 25439 5527 1 8 . 1 1 53 53 MET H H 53 8.411 8.411 7.997 0.414 25439 5528 1 8 . 1 1 54 54 GLN N N 54 120.855 120.855 118.901 1.954 25439 5529 1 8 . 1 1 54 54 GLN HA H 54 4.333 4.333 3.918 0.415 25439 5530 1 8 . 1 1 54 54 GLN CA C 54 59.004 59.004 59.223 -0.219 25439 5531 1 8 . 1 1 54 54 GLN CB C 54 27.824 27.824 28.793 -0.969 25439 5532 1 8 . 1 1 54 54 GLN H H 54 8.860 8.860 7.973 0.887 25439 5533 1 8 . 1 1 55 55 LEU N N 55 122.788 122.788 119.086 3.702 25439 5534 1 8 . 1 1 55 55 LEU HA H 55 4.302 4.302 4.161 0.141 25439 5535 1 8 . 1 1 55 55 LEU CA C 55 58.685 58.685 57.968 0.717 25439 5536 1 8 . 1 1 55 55 LEU CB C 55 42.695 42.695 41.810 0.885 25439 5537 1 8 . 1 1 55 55 LEU H H 55 8.298 8.298 7.785 0.513 25439 5538 1 8 . 1 1 56 56 HIS N N 56 118.426 118.426 117.987 0.439 25439 5539 1 8 . 1 1 56 56 HIS HA H 56 4.317 4.317 4.238 0.079 25439 5540 1 8 . 1 1 56 56 HIS CA C 56 60.732 60.732 60.228 0.504 25439 5541 1 8 . 1 1 56 56 HIS CB C 56 30.530 30.530 29.664 0.866 25439 5542 1 8 . 1 1 56 56 HIS H H 56 8.416 8.416 7.909 0.507 25439 5543 1 8 . 1 1 57 57 HIS N N 57 121.197 121.197 119.647 1.550 25439 5544 1 8 . 1 1 57 57 HIS HA H 57 4.318 4.318 4.562 -0.244 25439 5545 1 8 . 1 1 57 57 HIS CA C 57 60.739 60.739 58.929 1.810 25439 5546 1 8 . 1 1 57 57 HIS CB C 57 28.726 28.726 30.120 -1.394 25439 5547 1 8 . 1 1 57 57 HIS H H 57 8.608 8.608 8.186 0.422 25439 5548 1 8 . 1 1 58 58 GLN N N 58 118.739 118.739 119.099 -0.360 25439 5549 1 8 . 1 1 58 58 GLN HA H 58 4.202 4.202 4.091 0.111 25439 5550 1 8 . 1 1 58 58 GLN CA C 58 59.507 59.507 59.764 -0.257 25439 5551 1 8 . 1 1 58 58 GLN CB C 58 29.111 29.111 28.895 0.216 25439 5552 1 8 . 1 1 58 58 GLN H H 58 9.206 9.206 8.149 1.057 25439 5553 1 8 . 1 1 59 59 ARG N N 59 122.498 122.498 120.162 2.336 25439 5554 1 8 . 1 1 59 59 ARG HA H 59 3.437 3.437 3.688 -0.251 25439 5555 1 8 . 1 1 59 59 ARG CA C 59 60.361 60.361 59.809 0.552 25439 5556 1 8 . 1 1 59 59 ARG H H 59 8.623 8.623 8.658 -0.035 25439 5557 1 8 . 1 1 60 60 SER N N 60 114.930 114.930 115.132 -0.202 25439 5558 1 8 . 1 1 60 60 SER HA H 60 4.515 4.515 4.261 0.254 25439 5559 1 8 . 1 1 60 60 SER CA C 60 64.832 64.832 61.582 3.250 25439 5560 1 8 . 1 1 60 60 SER CB C 60 63.583 63.583 63.187 0.396 25439 5561 1 8 . 1 1 60 60 SER H H 60 7.993 7.993 8.615 -0.622 25439 5562 1 8 . 1 1 61 61 ARG N N 61 124.417 124.417 122.701 1.716 25439 5563 1 8 . 1 1 61 61 ARG HA H 61 4.204 4.204 4.085 0.119 25439 5564 1 8 . 1 1 61 61 ARG CA C 61 58.852 58.852 59.693 -0.841 25439 5565 1 8 . 1 1 61 61 ARG CB C 61 29.077 29.077 30.256 -1.179 25439 5566 1 8 . 1 1 61 61 ARG H H 61 9.569 9.569 8.560 1.009 25439 5567 1 8 . 1 1 62 62 TYR N N 62 124.484 124.484 121.301 3.183 25439 5568 1 8 . 1 1 62 62 TYR HA H 62 4.676 4.676 4.287 0.389 25439 5569 1 8 . 1 1 62 62 TYR CA C 62 61.006 61.006 62.017 -1.011 25439 5570 1 8 . 1 1 62 62 TYR CB C 62 38.392 38.392 38.682 -0.290 25439 5571 1 8 . 1 1 62 62 TYR H H 62 8.622 8.622 8.593 0.029 25439 5572 1 8 . 1 1 63 63 ILE N N 63 119.789 119.789 119.045 0.744 25439 5573 1 8 . 1 1 63 63 ILE HA H 63 3.492 3.492 3.763 -0.271 25439 5574 1 8 . 1 1 63 63 ILE CA C 63 65.693 65.693 65.602 0.091 25439 5575 1 8 . 1 1 63 63 ILE CB C 63 38.023 38.023 38.243 -0.220 25439 5576 1 8 . 1 1 63 63 ILE H H 63 7.588 7.588 8.400 -0.812 25439 5577 1 8 . 1 1 64 64 TYR N N 64 120.485 120.485 121.454 -0.969 25439 5578 1 8 . 1 1 64 64 TYR HA H 64 4.577 4.577 4.253 0.324 25439 5579 1 8 . 1 1 64 64 TYR CA C 64 61.759 61.759 62.812 -1.053 25439 5580 1 8 . 1 1 64 64 TYR CB C 64 39.772 39.772 38.530 1.242 25439 5581 1 8 . 1 1 64 64 TYR H H 64 9.166 9.166 9.183 -0.017 25439 5582 1 8 . 1 1 65 65 THR N N 65 117.072 117.072 117.395 -0.323 25439 5583 1 8 . 1 1 65 65 THR HA H 65 3.562 3.562 4.044 -0.482 25439 5584 1 8 . 1 1 65 65 THR CA C 65 67.016 67.016 68.274 -1.258 25439 5585 1 8 . 1 1 65 65 THR CB C 65 68.711 68.711 68.759 -0.048 25439 5586 1 8 . 1 1 65 65 THR H H 65 8.987 8.987 8.875 0.112 25439 5587 1 8 . 1 1 66 66 LEU N N 66 122.107 122.107 120.460 1.647 25439 5588 1 8 . 1 1 66 66 LEU HA H 66 3.782 3.782 4.288 -0.506 25439 5589 1 8 . 1 1 66 66 LEU CA C 66 58.476 58.476 58.052 0.424 25439 5590 1 8 . 1 1 66 66 LEU CB C 66 43.183 43.183 41.048 2.135 25439 5591 1 8 . 1 1 66 66 LEU H H 66 8.286 8.286 7.635 0.651 25439 5592 1 8 . 1 1 67 67 TYR N N 67 115.264 115.264 119.560 -4.296 25439 5593 1 8 . 1 1 67 67 TYR HA H 67 4.344 4.344 4.058 0.286 25439 5594 1 8 . 1 1 67 67 TYR CA C 67 60.830 60.830 61.470 -0.640 25439 5595 1 8 . 1 1 67 67 TYR CB C 67 40.376 40.376 39.406 0.970 25439 5596 1 8 . 1 1 67 67 TYR H H 67 7.983 7.983 8.246 -0.263 25439 5597 1 8 . 1 1 68 68 TYR N N 68 113.945 113.945 115.653 -1.708 25439 5598 1 8 . 1 1 68 68 TYR HA H 68 3.699 3.699 4.251 -0.552 25439 5599 1 8 . 1 1 68 68 TYR CA C 68 62.030 62.030 59.913 2.117 25439 5600 1 8 . 1 1 68 68 TYR CB C 68 38.046 38.046 38.699 -0.653 25439 5601 1 8 . 1 1 68 68 TYR H H 68 8.297 8.297 8.112 0.185 25439 5602 1 8 . 1 1 69 69 LYS N N 69 114.346 114.346 118.353 -4.007 25439 5603 1 8 . 1 1 69 69 LYS HA H 69 4.564 4.564 4.536 0.028 25439 5604 1 8 . 1 1 69 69 LYS CA C 69 56.821 56.821 56.678 0.143 25439 5605 1 8 . 1 1 69 69 LYS CB C 69 31.980 31.980 33.673 -1.693 25439 5606 1 8 . 1 1 69 69 LYS H H 69 7.084 7.084 7.562 -0.478 25439 5607 1 8 . 1 1 70 70 ARG N N 70 114.676 114.676 119.393 -4.717 25439 5608 1 8 . 1 1 70 70 ARG HA H 70 4.251 4.251 4.099 0.152 25439 5609 1 8 . 1 1 70 70 ARG CA C 70 56.314 56.314 57.461 -1.147 25439 5610 1 8 . 1 1 70 70 ARG CB C 70 31.128 31.128 30.639 0.489 25439 5611 1 8 . 1 1 70 70 ARG H H 70 8.178 8.178 8.191 -0.013 25439 5612 1 8 . 1 1 71 71 LYS N N 71 115.371 115.371 115.640 -0.269 25439 5613 1 8 . 1 1 71 71 LYS HA H 71 4.036 4.036 3.748 0.288 25439 5614 1 8 . 1 1 71 71 LYS CA C 71 57.121 57.121 57.005 0.116 25439 5615 1 8 . 1 1 71 71 LYS CB C 71 28.897 28.897 30.415 -1.518 25439 5616 1 8 . 1 1 71 71 LYS H H 71 6.843 6.843 7.819 -0.976 25439 5617 1 8 . 1 1 72 72 ALA N N 72 117.701 117.701 120.604 -2.903 25439 5618 1 8 . 1 1 72 72 ALA HA H 72 4.395 4.395 4.393 0.002 25439 5619 1 8 . 1 1 72 72 ALA CA C 72 52.597 52.597 51.873 0.723 25439 5620 1 8 . 1 1 72 72 ALA CB C 72 21.560 21.560 19.669 1.891 25439 5621 1 8 . 1 1 72 72 ALA H H 72 8.560 8.560 7.651 0.909 25439 5622 1 8 . 1 1 73 73 ILE N N 73 107.605 107.605 117.212 -9.607 25439 5623 1 8 . 1 1 73 73 ILE CB C 73 42.724 42.724 41.042 1.682 25439 5624 1 8 . 1 1 73 73 ILE H H 73 7.074 7.074 7.356 -0.282 25439 5625 1 8 . 1 1 74 74 SER N N 74 118.425 118.425 117.674 0.751 25439 5626 1 8 . 1 1 74 74 SER HA H 74 4.484 4.484 4.866 -0.382 25439 5627 1 8 . 1 1 74 74 SER CA C 74 57.082 57.082 56.533 0.549 25439 5628 1 8 . 1 1 74 74 SER CB C 74 65.396 65.396 64.511 0.885 25439 5629 1 8 . 1 1 74 74 SER H H 74 8.797 8.797 8.447 0.350 25439 5630 1 8 . 1 1 75 75 LYS N N 75 121.891 121.891 127.043 -5.152 25439 5631 1 8 . 1 1 75 75 LYS HA H 75 3.851 3.851 4.209 -0.358 25439 5632 1 8 . 1 1 75 75 LYS CA C 75 59.624 59.624 60.115 -0.491 25439 5633 1 8 . 1 1 75 75 LYS CB C 75 32.368 32.368 32.659 -0.291 25439 5634 1 8 . 1 1 75 75 LYS H H 75 9.024 9.024 9.065 -0.041 25439 5635 1 8 . 1 1 76 76 ASP N N 76 115.908 115.908 119.454 -3.546 25439 5636 1 8 . 1 1 76 76 ASP HA H 76 4.423 4.423 4.395 0.028 25439 5637 1 8 . 1 1 76 76 ASP CA C 76 57.362 57.362 57.696 -0.334 25439 5638 1 8 . 1 1 76 76 ASP CB C 76 40.391 40.391 40.208 0.183 25439 5639 1 8 . 1 1 76 76 ASP H H 76 8.161 8.161 8.285 -0.124 25439 5640 1 8 . 1 1 77 77 LEU N N 77 121.705 121.705 121.127 0.578 25439 5641 1 8 . 1 1 77 77 LEU HA H 77 4.180 4.180 4.122 0.058 25439 5642 1 8 . 1 1 77 77 LEU CA C 77 57.818 57.818 57.815 0.003 25439 5643 1 8 . 1 1 77 77 LEU H H 77 8.345 8.345 7.684 0.661 25439 5644 1 8 . 1 1 78 78 TYR N N 78 121.511 121.511 119.850 1.661 25439 5645 1 8 . 1 1 78 78 TYR HA H 78 3.789 3.789 3.980 -0.191 25439 5646 1 8 . 1 1 78 78 TYR CA C 78 62.857 62.857 60.532 2.325 25439 5647 1 8 . 1 1 78 78 TYR CB C 78 38.369 38.369 37.773 0.596 25439 5648 1 8 . 1 1 78 78 TYR H H 78 8.598 8.598 8.660 -0.062 25439 5649 1 8 . 1 1 79 79 ASP N N 79 117.189 117.189 119.863 -2.674 25439 5650 1 8 . 1 1 79 79 ASP HA H 79 4.066 4.066 4.016 0.050 25439 5651 1 8 . 1 1 79 79 ASP CA C 79 57.219 57.219 57.692 -0.473 25439 5652 1 8 . 1 1 79 79 ASP CB C 79 40.003 40.003 40.703 -0.700 25439 5653 1 8 . 1 1 79 79 ASP H H 79 9.106 9.106 8.582 0.524 25439 5654 1 8 . 1 1 80 80 TRP N N 80 123.400 123.400 121.660 1.740 25439 5655 1 8 . 1 1 80 80 TRP HA H 80 4.160 4.160 4.134 0.026 25439 5656 1 8 . 1 1 80 80 TRP CA C 80 62.368 62.368 61.509 0.859 25439 5657 1 8 . 1 1 80 80 TRP CB C 80 29.969 29.969 29.397 0.572 25439 5658 1 8 . 1 1 80 80 TRP H H 80 7.931 7.931 8.347 -0.416 25439 5659 1 8 . 1 1 81 81 LEU N N 81 119.674 119.674 118.754 0.920 25439 5660 1 8 . 1 1 81 81 LEU HA H 81 3.971 3.971 2.748 1.223 25439 5661 1 8 . 1 1 81 81 LEU CA C 81 58.294 58.294 57.607 0.687 25439 5662 1 8 . 1 1 81 81 LEU CB C 81 41.818 41.818 41.574 0.244 25439 5663 1 8 . 1 1 81 81 LEU H H 81 8.814 8.814 7.881 0.933 25439 5664 1 8 . 1 1 82 82 ILE N N 82 118.746 118.746 119.101 -0.355 25439 5665 1 8 . 1 1 82 82 ILE HA H 82 3.861 3.861 3.926 -0.065 25439 5666 1 8 . 1 1 82 82 ILE CA C 82 62.734 62.734 63.164 -0.430 25439 5667 1 8 . 1 1 82 82 ILE CB C 82 36.236 36.236 36.578 -0.342 25439 5668 1 8 . 1 1 82 82 ILE H H 82 7.886 7.886 7.568 0.318 25439 5669 1 8 . 1 1 83 83 LYS N N 83 124.819 124.819 118.559 6.260 25439 5670 1 8 . 1 1 83 83 LYS HA H 83 3.911 3.911 4.125 -0.214 25439 5671 1 8 . 1 1 83 83 LYS CA C 83 59.643 59.643 57.908 1.735 25439 5672 1 8 . 1 1 83 83 LYS CB C 83 32.027 32.027 32.600 -0.573 25439 5673 1 8 . 1 1 83 83 LYS H H 83 8.224 8.224 7.784 0.440 25439 5674 1 8 . 1 1 84 84 GLU N N 84 115.404 115.404 117.960 -2.556 25439 5675 1 8 . 1 1 84 84 GLU HA H 84 3.841 3.841 4.243 -0.402 25439 5676 1 8 . 1 1 84 84 GLU CA C 84 55.582 55.582 55.319 0.264 25439 5677 1 8 . 1 1 84 84 GLU CB C 84 29.459 29.459 28.461 0.998 25439 5678 1 8 . 1 1 84 84 GLU H H 84 8.138 8.138 7.288 0.850 25439 5679 1 8 . 1 1 85 85 LYS N N 85 111.563 111.563 118.100 -6.537 25439 5680 1 8 . 1 1 85 85 LYS HA H 85 3.820 3.820 3.954 -0.134 25439 5681 1 8 . 1 1 85 85 LYS CA C 85 57.890 57.890 57.234 0.656 25439 5682 1 8 . 1 1 85 85 LYS CB C 85 28.005 28.005 30.488 -2.482 25439 5683 1 8 . 1 1 85 85 LYS H H 85 7.719 7.719 8.029 -0.310 25439 5684 1 8 . 1 1 86 86 TYR N N 86 116.916 116.916 117.867 -0.951 25439 5685 1 8 . 1 1 86 86 TYR HA H 86 4.137 4.137 4.383 -0.246 25439 5686 1 8 . 1 1 86 86 TYR CA C 86 61.228 61.228 58.040 3.188 25439 5687 1 8 . 1 1 86 86 TYR CB C 86 39.535 39.535 41.159 -1.624 25439 5688 1 8 . 1 1 86 86 TYR H H 86 8.521 8.521 8.071 0.450 25439 5689 1 8 . 1 1 87 87 ALA N N 87 113.715 113.715 118.226 -4.511 25439 5690 1 8 . 1 1 87 87 ALA HA H 87 4.738 4.738 4.238 0.500 25439 5691 1 8 . 1 1 87 87 ALA CA C 87 49.121 49.121 50.435 -1.314 25439 5692 1 8 . 1 1 87 87 ALA CB C 87 23.295 23.295 21.953 1.341 25439 5693 1 8 . 1 1 87 87 ALA H H 87 6.959 6.959 7.632 -0.673 25439 5694 1 8 . 1 1 88 88 ASP N N 88 119.344 119.344 120.417 -1.073 25439 5695 1 8 . 1 1 88 88 ASP HA H 88 4.544 4.544 4.990 -0.446 25439 5696 1 8 . 1 1 88 88 ASP CA C 88 52.714 52.714 52.824 -0.110 25439 5697 1 8 . 1 1 88 88 ASP CB C 88 41.845 41.845 42.824 -0.979 25439 5698 1 8 . 1 1 88 88 ASP H H 88 7.870 7.870 8.489 -0.619 25439 5699 1 8 . 1 1 89 89 LYS N N 89 125.312 125.312 126.624 -1.312 25439 5700 1 8 . 1 1 89 89 LYS HA H 89 3.834 3.834 4.061 -0.227 25439 5701 1 8 . 1 1 89 89 LYS CA C 89 59.409 59.409 59.776 -0.367 25439 5702 1 8 . 1 1 89 89 LYS CB C 89 32.848 32.848 32.523 0.325 25439 5703 1 8 . 1 1 89 89 LYS H H 89 8.467 8.467 8.783 -0.316 25439 5704 1 8 . 1 1 90 90 LEU N N 90 119.899 119.899 120.390 -0.491 25439 5705 1 8 . 1 1 90 90 LEU HA H 90 4.023 4.023 4.006 0.017 25439 5706 1 8 . 1 1 90 90 LEU CA C 90 57.049 57.049 58.037 -0.988 25439 5707 1 8 . 1 1 90 90 LEU CB C 90 41.099 41.099 41.681 -0.582 25439 5708 1 8 . 1 1 90 90 LEU H H 90 8.076 8.076 8.209 -0.133 25439 5709 1 8 . 1 1 91 91 LEU N N 91 123.148 123.148 120.155 2.993 25439 5710 1 8 . 1 1 91 91 LEU HA H 91 3.498 3.498 3.742 -0.244 25439 5711 1 8 . 1 1 91 91 LEU CA C 91 56.971 56.971 57.683 -0.712 25439 5712 1 8 . 1 1 91 91 LEU CB C 91 41.823 41.823 41.693 0.131 25439 5713 1 8 . 1 1 91 91 LEU H H 91 7.120 7.120 7.565 -0.445 25439 5714 1 8 . 1 1 92 92 ILE N N 92 116.780 116.780 118.951 -2.171 25439 5715 1 8 . 1 1 92 92 ILE HA H 92 3.265 3.265 3.827 -0.562 25439 5716 1 8 . 1 1 92 92 ILE CA C 92 65.178 65.178 65.535 -0.357 25439 5717 1 8 . 1 1 92 92 ILE CB C 92 38.209 38.209 37.826 0.383 25439 5718 1 8 . 1 1 92 92 ILE H H 92 7.384 7.384 7.831 -0.447 25439 5719 1 8 . 1 1 93 93 ALA N N 93 117.061 117.061 122.469 -5.408 25439 5720 1 8 . 1 1 93 93 ALA HA H 93 3.930 3.930 4.047 -0.117 25439 5721 1 8 . 1 1 93 93 ALA CA C 93 54.839 54.839 55.565 -0.726 25439 5722 1 8 . 1 1 93 93 ALA CB C 93 18.125 18.125 18.169 -0.044 25439 5723 1 8 . 1 1 93 93 ALA H H 93 7.437 7.437 8.842 -1.405 25439 5724 1 8 . 1 1 94 94 LYS N N 94 116.036 116.036 118.605 -2.569 25439 5725 1 8 . 1 1 94 94 LYS HA H 94 3.803 3.803 3.471 0.332 25439 5726 1 8 . 1 1 94 94 LYS CA C 94 56.945 56.945 58.348 -1.403 25439 5727 1 8 . 1 1 94 94 LYS CB C 94 31.047 31.047 31.520 -0.473 25439 5728 1 8 . 1 1 94 94 LYS H H 94 7.012 7.012 7.616 -0.604 25439 5729 1 8 . 1 1 95 95 TRP N N 95 118.700 118.700 116.652 2.048 25439 5730 1 8 . 1 1 95 95 TRP HA H 95 4.814 4.814 4.538 0.276 25439 5731 1 8 . 1 1 95 95 TRP CA C 95 57.136 57.136 58.993 -1.857 25439 5732 1 8 . 1 1 95 95 TRP CB C 95 28.171 28.171 29.135 -0.964 25439 5733 1 8 . 1 1 95 95 TRP H H 95 7.611 7.611 7.464 0.147 25439 5734 1 8 . 1 1 96 96 ARG N N 96 113.031 113.031 116.679 -3.648 25439 5735 1 8 . 1 1 96 96 ARG HA H 96 4.233 4.233 4.197 0.036 25439 5736 1 8 . 1 1 96 96 ARG CA C 96 56.234 56.234 58.221 -1.988 25439 5737 1 8 . 1 1 96 96 ARG CB C 96 30.245 30.245 30.506 -0.261 25439 5738 1 8 . 1 1 96 96 ARG H H 96 7.066 7.066 7.672 -0.606 25439 5739 1 8 . 1 1 97 97 LYS N N 97 123.252 123.252 119.088 4.164 25439 5740 1 8 . 1 1 97 97 LYS HA H 97 4.634 4.634 4.286 0.348 25439 5741 1 8 . 1 1 97 97 LYS CA C 97 54.937 54.937 57.008 -2.071 25439 5742 1 8 . 1 1 97 97 LYS CB C 97 34.166 34.166 32.853 1.312 25439 5743 1 8 . 1 1 97 97 LYS H H 97 8.467 8.467 8.123 0.344 25439 5744 1 8 . 1 1 98 98 THR N N 98 119.993 119.993 111.676 8.317 25439 5745 1 8 . 1 1 98 98 THR HA H 98 4.224 4.224 4.483 -0.259 25439 5746 1 8 . 1 1 98 98 THR CA C 98 64.670 64.670 62.138 2.532 25439 5747 1 8 . 1 1 98 98 THR CB C 98 69.200 69.200 69.266 -0.066 25439 5748 1 8 . 1 1 98 98 THR H H 98 8.329 8.329 8.287 0.042 25439 5749 1 8 . 1 1 99 99 GLY N N 99 116.645 116.645 113.276 3.369 25439 5750 1 8 . 1 1 99 99 GLY CA C 99 45.047 45.047 44.964 0.083 25439 5751 1 8 . 1 1 99 99 GLY H H 99 9.273 9.273 8.837 0.436 25439 5752 1 8 . 1 1 100 100 TYR N N 100 120.784 120.784 120.221 0.563 25439 5753 1 8 . 1 1 100 100 TYR HA H 100 4.704 4.704 4.757 -0.053 25439 5754 1 8 . 1 1 100 100 TYR CA C 100 57.697 57.697 56.024 1.673 25439 5755 1 8 . 1 1 100 100 TYR CB C 100 39.413 39.413 37.144 2.269 25439 5756 1 8 . 1 1 100 100 TYR H H 100 8.457 8.457 8.207 0.250 25439 5757 1 8 . 1 1 101 101 GLU N N 101 119.482 119.482 122.100 -2.618 25439 5758 1 8 . 1 1 101 101 GLU HA H 101 4.601 4.601 4.428 0.173 25439 5759 1 8 . 1 1 101 101 GLU CA C 101 61.207 61.207 57.317 3.890 25439 5760 1 8 . 1 1 101 101 GLU CB C 101 29.648 29.648 30.465 -0.817 25439 5761 1 8 . 1 1 101 101 GLU H H 101 9.836 9.836 8.639 1.197 25439 5762 1 8 . 1 1 102 102 LYS N N 102 115.179 115.179 121.362 -6.183 25439 5763 1 8 . 1 1 102 102 LYS HA H 102 4.295 4.295 4.563 -0.268 25439 5764 1 8 . 1 1 102 102 LYS CA C 102 54.207 54.207 55.312 -1.105 25439 5765 1 8 . 1 1 102 102 LYS CB C 102 32.489 32.489 32.190 0.299 25439 5766 1 8 . 1 1 102 102 LYS H H 102 8.291 8.291 7.935 0.356 25439 5767 1 8 . 1 1 103 103 LEU N N 103 119.637 119.637 123.397 -3.760 25439 5768 1 8 . 1 1 103 103 LEU HA H 103 4.385 4.385 4.909 -0.524 25439 5769 1 8 . 1 1 103 103 LEU CA C 103 56.549 56.549 54.343 2.206 25439 5770 1 8 . 1 1 103 103 LEU CB C 103 43.864 43.864 44.798 -0.934 25439 5771 1 8 . 1 1 103 103 LEU H H 103 7.642 7.642 8.251 -0.609 25439 5772 1 8 . 1 1 104 104 CYS N N 104 129.651 129.651 121.491 8.160 25439 5773 1 8 . 1 1 104 104 CYS HA H 104 4.498 4.498 5.159 -0.661 25439 5774 1 8 . 1 1 104 104 CYS CA C 104 58.076 58.076 58.559 -0.483 25439 5775 1 8 . 1 1 104 104 CYS CB C 104 32.301 32.301 28.199 4.102 25439 5776 1 8 . 1 1 104 104 CYS H H 104 8.638 8.638 9.020 -0.382 25439 5777 1 8 . 1 1 105 105 CYS N N 105 120.206 120.206 118.439 1.767 25439 5778 1 8 . 1 1 105 105 CYS HA H 105 4.806 4.806 4.812 -0.006 25439 5779 1 8 . 1 1 105 105 CYS CA C 105 58.271 58.271 56.992 1.279 25439 5780 1 8 . 1 1 105 105 CYS CB C 105 32.062 32.062 30.016 2.046 25439 5781 1 8 . 1 1 105 105 CYS H H 105 8.158 8.158 8.097 0.061 25439 5782 1 8 . 1 1 106 106 LEU N N 106 115.513 115.513 120.475 -4.962 25439 5783 1 8 . 1 1 106 106 LEU HA H 106 4.054 4.054 4.191 -0.137 25439 5784 1 8 . 1 1 106 106 LEU CA C 106 56.110 56.110 56.528 -0.418 25439 5785 1 8 . 1 1 106 106 LEU CB C 106 41.227 41.227 42.241 -1.014 25439 5786 1 8 . 1 1 106 106 LEU H H 106 8.466 8.466 8.135 0.331 25439 5787 1 8 . 1 1 107 107 ARG N N 107 122.711 122.711 118.550 4.161 25439 5788 1 8 . 1 1 107 107 ARG HA H 107 3.993 3.993 4.302 -0.309 25439 5789 1 8 . 1 1 107 107 ARG CA C 107 58.311 58.311 56.199 2.112 25439 5790 1 8 . 1 1 107 107 ARG CB C 107 28.965 28.965 28.816 0.149 25439 5791 1 8 . 1 1 107 107 ARG H H 107 8.131 8.131 8.159 -0.028 25439 5792 1 8 . 1 1 108 108 CYS N N 108 119.055 119.055 118.079 0.976 25439 5793 1 8 . 1 1 108 108 CYS HA H 108 4.101 4.101 4.725 -0.624 25439 5794 1 8 . 1 1 108 108 CYS CA C 108 63.936 63.936 57.384 6.552 25439 5795 1 8 . 1 1 108 108 CYS CB C 108 30.934 30.934 27.252 3.683 25439 5796 1 8 . 1 1 108 108 CYS H H 108 8.010 8.010 7.907 0.103 25439 5797 1 8 . 1 1 109 109 ILE N N 109 107.315 107.315 112.585 -5.270 25439 5798 1 8 . 1 1 109 109 ILE HA H 109 4.684 4.684 4.475 0.209 25439 5799 1 8 . 1 1 109 109 ILE CA C 109 60.483 60.483 61.052 -0.569 25439 5800 1 8 . 1 1 109 109 ILE CB C 109 38.320 38.320 39.047 -0.727 25439 5801 1 8 . 1 1 109 109 ILE H H 109 7.105 7.105 7.563 -0.458 25439 5802 1 8 . 1 1 110 110 GLN N N 110 122.468 122.468 121.443 1.025 25439 5803 1 8 . 1 1 110 110 GLN HA H 110 4.268 4.268 4.783 -0.515 25439 5804 1 8 . 1 1 110 110 GLN CA C 110 55.981 55.981 54.725 1.256 25439 5805 1 8 . 1 1 110 110 GLN CB C 110 29.656 29.656 31.703 -2.047 25439 5806 1 8 . 1 1 110 110 GLN H H 110 7.156 7.156 7.988 -0.832 25439 5807 1 8 . 1 1 111 111 LYS N N 111 124.650 124.650 120.362 4.288 25439 5808 1 8 . 1 1 111 111 LYS HA H 111 4.246 4.246 4.951 -0.705 25439 5809 1 8 . 1 1 111 111 LYS CA C 111 56.546 56.546 55.155 1.391 25439 5810 1 8 . 1 1 111 111 LYS CB C 111 32.846 32.846 34.983 -2.137 25439 5811 1 8 . 1 1 111 111 LYS H H 111 8.522 8.522 8.346 0.176 25439 5812 1 8 . 1 1 112 112 ASN N N 112 120.972 120.972 116.553 4.419 25439 5813 1 8 . 1 1 112 112 ASN HA H 112 4.778 4.778 4.825 -0.047 25439 5814 1 8 . 1 1 112 112 ASN CA C 112 52.902 52.902 53.863 -0.961 25439 5815 1 8 . 1 1 112 112 ASN CB C 112 39.328 39.328 40.362 -1.034 25439 5816 1 8 . 1 1 112 112 ASN H H 112 8.360 8.360 8.599 -0.239 25439 5817 1 8 . 1 1 113 113 GLU N N 113 121.710 121.710 118.285 3.425 25439 5818 1 8 . 1 1 113 113 GLU HA H 113 4.248 4.248 4.703 -0.455 25439 5819 1 8 . 1 1 113 113 GLU CA C 113 58.611 58.611 55.509 3.102 25439 5820 1 8 . 1 1 113 113 GLU CB C 113 29.590 29.590 31.515 -1.925 25439 5821 1 8 . 1 1 113 113 GLU H H 113 9.023 9.023 8.165 0.858 25439 5822 1 8 . 1 1 114 114 THR N N 114 112.186 112.186 115.057 -2.871 25439 5823 1 8 . 1 1 114 114 THR HA H 114 4.321 4.321 4.296 0.025 25439 5824 1 8 . 1 1 114 114 THR CA C 114 63.161 63.161 63.632 -0.471 25439 5825 1 8 . 1 1 114 114 THR CB C 114 69.481 69.481 69.246 0.235 25439 5826 1 8 . 1 1 114 114 THR H H 114 8.112 8.112 8.443 -0.331 25439 5827 1 8 . 1 1 115 115 ASN N N 115 119.112 119.112 118.072 1.040 25439 5828 1 8 . 1 1 115 115 ASN HA H 115 4.829 4.829 4.664 0.165 25439 5829 1 8 . 1 1 115 115 ASN CA C 115 53.110 53.110 53.416 -0.306 25439 5830 1 8 . 1 1 115 115 ASN CB C 115 38.659 38.659 39.330 -0.670 25439 5831 1 8 . 1 1 115 115 ASN H H 115 8.047 8.047 8.242 -0.195 25439 5832 1 8 . 1 1 116 116 ASN N N 116 117.175 117.175 119.435 -2.260 25439 5833 1 8 . 1 1 116 116 ASN HA H 116 4.615 4.615 4.845 -0.230 25439 5834 1 8 . 1 1 116 116 ASN CA C 116 53.965 53.965 52.704 1.261 25439 5835 1 8 . 1 1 116 116 ASN CB C 116 38.173 38.173 38.544 -0.371 25439 5836 1 8 . 1 1 116 116 ASN H H 116 8.364 8.364 8.147 0.217 25439 5837 1 8 . 1 1 117 117 GLY N N 117 107.294 107.294 109.607 -2.313 25439 5838 1 8 . 1 1 117 117 GLY CA C 117 45.882 45.882 44.918 0.964 25439 5839 1 8 . 1 1 117 117 GLY H H 117 8.264 8.264 7.977 0.287 25439 5840 1 8 . 1 1 118 118 SER N N 118 115.475 115.475 116.952 -1.477 25439 5841 1 8 . 1 1 118 118 SER HA H 118 4.586 4.586 4.715 -0.129 25439 5842 1 8 . 1 1 118 118 SER CA C 118 57.974 57.974 57.972 0.002 25439 5843 1 8 . 1 1 118 118 SER CB C 118 64.479 64.479 63.957 0.522 25439 5844 1 8 . 1 1 118 118 SER H H 118 7.905 7.905 8.366 -0.461 25439 5845 1 8 . 1 1 119 119 THR N N 119 111.360 111.360 118.025 -6.665 25439 5846 1 8 . 1 1 119 119 THR HA H 119 4.450 4.450 4.751 -0.301 25439 5847 1 8 . 1 1 119 119 THR CA C 119 61.215 61.215 61.228 -0.013 25439 5848 1 8 . 1 1 119 119 THR CB C 119 70.569 70.569 71.314 -0.745 25439 5849 1 8 . 1 1 119 119 THR H H 119 8.044 8.044 8.146 -0.102 25439 5850 1 8 . 1 1 120 120 CYS N N 120 122.708 122.708 122.071 0.637 25439 5851 1 8 . 1 1 120 120 CYS HA H 120 4.255 4.255 4.718 -0.463 25439 5852 1 8 . 1 1 120 120 CYS CA C 120 61.469 61.469 58.186 3.283 25439 5853 1 8 . 1 1 120 120 CYS CB C 120 30.892 30.892 28.837 2.055 25439 5854 1 8 . 1 1 120 120 CYS H H 120 8.045 8.045 8.495 -0.450 25439 5855 1 8 . 1 1 121 121 ILE N N 121 132.463 132.463 124.064 8.399 25439 5856 1 8 . 1 1 121 121 ILE HA H 121 4.025 4.025 3.822 0.203 25439 5857 1 8 . 1 1 121 121 ILE CA C 121 63.353 63.353 63.201 0.152 25439 5858 1 8 . 1 1 121 121 ILE CB C 121 38.222 38.222 37.614 0.608 25439 5859 1 8 . 1 1 121 121 ILE H H 121 8.237 8.237 8.363 -0.126 25439 5860 1 8 . 1 1 122 122 CYS N N 122 123.931 123.931 117.976 5.955 25439 5861 1 8 . 1 1 122 122 CYS HA H 122 4.233 4.233 4.207 0.026 25439 5862 1 8 . 1 1 122 122 CYS CA C 122 60.230 60.230 60.417 -0.187 25439 5863 1 8 . 1 1 122 122 CYS CB C 122 30.602 30.602 25.997 4.605 25439 5864 1 8 . 1 1 122 122 CYS H H 122 9.355 9.355 7.554 1.801 25439 5865 1 8 . 1 1 123 123 ARG N N 123 119.561 119.561 120.901 -1.340 25439 5866 1 8 . 1 1 123 123 ARG HA H 123 4.150 4.150 4.334 -0.184 25439 5867 1 8 . 1 1 123 123 ARG CA C 123 53.177 53.177 58.454 -5.277 25439 5868 1 8 . 1 1 123 123 ARG CB C 123 27.961 27.961 30.563 -2.602 25439 5869 1 8 . 1 1 123 123 ARG H H 123 7.677 7.677 7.560 0.117 25439 5870 1 8 . 1 1 124 124 VAL N N 124 122.794 122.794 120.864 1.930 25439 5871 1 8 . 1 1 124 124 VAL HA H 124 4.081 4.081 4.109 -0.028 25439 5872 1 8 . 1 1 124 124 VAL CA C 124 60.647 60.647 59.516 1.131 25439 5873 1 8 . 1 1 124 124 VAL CB C 124 32.857 32.857 31.079 1.778 25439 5874 1 8 . 1 1 124 124 VAL H H 124 7.578 7.578 7.465 0.113 25439 5875 1 8 . 1 1 125 125 PRO HA H 125 4.263 4.263 4.553 -0.290 25439 5876 1 8 . 1 1 125 125 PRO CA C 125 63.268 63.268 62.316 0.952 25439 5877 1 8 . 1 1 125 125 PRO CB C 125 32.379 32.379 32.835 -0.456 25439 5878 1 8 . 1 1 126 126 ARG N N 126 128.350 128.350 120.492 7.858 25439 5879 1 8 . 1 1 126 126 ARG HA H 126 3.912 3.912 4.011 -0.099 25439 5880 1 8 . 1 1 126 126 ARG CA C 126 59.653 59.653 59.105 0.548 25439 5881 1 8 . 1 1 126 126 ARG CB C 126 29.339 29.339 29.473 -0.134 25439 5882 1 8 . 1 1 126 126 ARG H H 126 9.534 9.534 8.759 0.775 25439 5883 1 8 . 1 1 127 127 ALA N N 127 119.169 119.169 121.526 -2.357 25439 5884 1 8 . 1 1 127 127 ALA HA H 127 4.192 4.192 4.161 0.031 25439 5885 1 8 . 1 1 127 127 ALA CA C 127 55.227 55.227 54.897 0.330 25439 5886 1 8 . 1 1 127 127 ALA CB C 127 18.363 18.363 17.981 0.382 25439 5887 1 8 . 1 1 127 127 ALA H H 127 9.263 9.263 8.455 0.808 25439 5888 1 8 . 1 1 128 128 GLN N N 128 117.345 117.345 118.291 -0.946 25439 5889 1 8 . 1 1 128 128 GLN HA H 128 4.209 4.209 4.089 0.120 25439 5890 1 8 . 1 1 128 128 GLN CA C 128 58.506 58.506 58.602 -0.096 25439 5891 1 8 . 1 1 128 128 GLN CB C 128 28.220 28.220 28.117 0.103 25439 5892 1 8 . 1 1 128 128 GLN H H 128 7.448 7.448 8.469 -1.021 25439 5893 1 8 . 1 1 129 129 LEU N N 129 120.561 120.561 120.359 0.202 25439 5894 1 8 . 1 1 129 129 LEU HA H 129 4.088 4.088 3.894 0.194 25439 5895 1 8 . 1 1 129 129 LEU CA C 129 57.952 57.952 58.127 -0.174 25439 5896 1 8 . 1 1 129 129 LEU CB C 129 41.817 41.817 41.818 -0.001 25439 5897 1 8 . 1 1 129 129 LEU H H 129 7.622 7.622 7.505 0.117 25439 5898 1 8 . 1 1 130 130 GLU N N 130 119.122 119.122 118.522 0.600 25439 5899 1 8 . 1 1 130 130 GLU HA H 130 3.956 3.956 3.873 0.083 25439 5900 1 8 . 1 1 130 130 GLU CA C 130 59.353 59.353 59.897 -0.544 25439 5901 1 8 . 1 1 130 130 GLU CB C 130 29.337 29.337 29.339 -0.002 25439 5902 1 8 . 1 1 130 130 GLU H H 130 8.656 8.656 8.333 0.323 25439 5903 1 8 . 1 1 131 131 GLU N N 131 121.469 121.469 118.969 2.500 25439 5904 1 8 . 1 1 131 131 GLU HA H 131 4.163 4.163 4.026 0.137 25439 5905 1 8 . 1 1 131 131 GLU CA C 131 59.288 59.288 59.612 -0.324 25439 5906 1 8 . 1 1 131 131 GLU CB C 131 29.422 29.422 29.280 0.142 25439 5907 1 8 . 1 1 131 131 GLU H H 131 7.922 7.922 7.808 0.114 25439 5908 1 8 . 1 1 132 132 GLU N N 132 119.241 119.241 118.960 0.281 25439 5909 1 8 . 1 1 132 132 GLU HA H 132 3.998 3.998 4.015 -0.017 25439 5910 1 8 . 1 1 132 132 GLU CA C 132 59.327 59.327 59.310 0.017 25439 5911 1 8 . 1 1 132 132 GLU CB C 132 29.421 29.421 29.228 0.193 25439 5912 1 8 . 1 1 132 132 GLU H H 132 8.099 8.099 7.554 0.545 25439 5913 1 8 . 1 1 133 133 ALA N N 133 121.302 121.302 122.097 -0.795 25439 5914 1 8 . 1 1 133 133 ALA HA H 133 4.053 4.053 4.016 0.037 25439 5915 1 8 . 1 1 133 133 ALA CA C 133 54.973 54.973 55.318 -0.345 25439 5916 1 8 . 1 1 133 133 ALA CB C 133 18.154 18.154 18.370 -0.216 25439 5917 1 8 . 1 1 133 133 ALA H H 133 7.795 7.795 7.721 0.074 25439 5918 1 8 . 1 1 134 134 ARG N N 134 118.757 118.757 118.352 0.405 25439 5919 1 8 . 1 1 134 134 ARG HA H 134 4.143 4.143 4.062 0.081 25439 5920 1 8 . 1 1 134 134 ARG CA C 134 59.438 59.438 59.213 0.225 25439 5921 1 8 . 1 1 134 134 ARG CB C 134 30.148 30.148 30.268 -0.120 25439 5922 1 8 . 1 1 134 134 ARG H H 134 8.145 8.145 8.065 0.080 25439 5923 1 8 . 1 1 135 135 LYS N N 135 119.496 119.496 119.070 0.426 25439 5924 1 8 . 1 1 135 135 LYS HA H 135 4.073 4.073 4.203 -0.130 25439 5925 1 8 . 1 1 135 135 LYS CA C 135 59.327 59.327 58.557 0.770 25439 5926 1 8 . 1 1 135 135 LYS CB C 135 32.539 32.539 32.761 -0.222 25439 5927 1 8 . 1 1 135 135 LYS H H 135 8.036 8.036 7.831 0.205 25439 5928 1 8 . 1 1 136 136 LYS N N 136 116.645 116.645 117.938 -1.293 25439 5929 1 8 . 1 1 136 136 LYS HA H 136 4.362 4.362 4.446 -0.084 25439 5930 1 8 . 1 1 136 136 LYS CA C 136 56.575 56.575 55.442 1.133 25439 5931 1 8 . 1 1 136 136 LYS CB C 136 33.629 33.629 32.256 1.373 25439 5932 1 8 . 1 1 136 136 LYS H H 136 7.682 7.682 7.793 -0.111 25439 5933 1 8 . 1 1 137 137 GLY N N 137 109.349 109.349 108.717 0.632 25439 5934 1 8 . 1 1 137 137 GLY CA C 137 46.358 46.358 46.197 0.161 25439 5935 1 8 . 1 1 137 137 GLY H H 137 8.064 8.064 7.875 0.189 25439 5936 1 8 . 1 1 138 138 THR N N 138 112.870 112.870 112.368 0.502 25439 5937 1 8 . 1 1 138 138 THR HA H 138 4.735 4.735 4.647 0.088 25439 5938 1 8 . 1 1 138 138 THR CA C 138 59.308 59.308 60.498 -1.190 25439 5939 1 8 . 1 1 138 138 THR CB C 138 70.755 70.755 70.264 0.491 25439 5940 1 8 . 1 1 138 138 THR H H 138 8.111 8.111 8.101 0.010 25439 5941 1 8 . 1 1 139 139 GLN N N 139 118.177 118.177 119.090 -0.913 25439 5942 1 8 . 1 1 139 139 GLN HA H 139 4.609 4.609 4.732 -0.123 25439 5943 1 8 . 1 1 139 139 GLN CA C 139 54.435 54.435 55.143 -0.708 25439 5944 1 8 . 1 1 139 139 GLN CB C 139 30.777 30.777 31.305 -0.527 25439 5945 1 8 . 1 1 139 139 GLN H H 139 8.227 8.227 8.264 -0.037 25439 5946 1 8 . 1 1 140 140 VAL N N 140 123.601 123.601 119.401 4.200 25439 5947 1 8 . 1 1 140 140 VAL HA H 140 3.790 3.790 4.364 -0.574 25439 5948 1 8 . 1 1 140 140 VAL CA C 140 63.934 63.934 61.869 2.065 25439 5949 1 8 . 1 1 140 140 VAL CB C 140 32.154 32.154 34.739 -2.585 25439 5950 1 8 . 1 1 140 140 VAL H H 140 8.839 8.839 8.248 0.591 25439 5951 1 8 . 1 1 141 141 SER HA H 141 4.524 4.524 4.683 -0.159 25439 5952 1 8 . 1 1 141 141 SER CA C 141 57.841 57.841 58.071 -0.230 25439 5953 1 8 . 1 1 141 141 SER CB C 141 64.174 64.174 63.598 0.576 25439 5954 1 8 . 1 1 142 142 PHE N N 142 123.726 123.726 124.713 -0.987 25439 5955 1 8 . 1 1 142 142 PHE HA H 142 4.458 4.458 4.827 -0.369 25439 5956 1 8 . 1 1 142 142 PHE CA C 142 58.673 58.673 58.212 0.460 25439 5957 1 8 . 1 1 142 142 PHE CB C 142 40.055 40.055 40.760 -0.705 25439 5958 1 8 . 1 1 142 142 PHE H H 142 7.534 7.534 8.280 -0.746 25439 5959 1 8 . 1 1 143 143 HIS N N 143 126.548 126.548 120.104 6.444 25439 5960 1 8 . 1 1 143 143 HIS HA H 143 4.336 4.336 4.285 0.051 25439 5961 1 8 . 1 1 143 143 HIS CA C 143 56.837 56.837 55.990 0.847 25439 5962 1 8 . 1 1 143 143 HIS CB C 143 31.949 31.949 31.835 0.113 25439 5963 1 8 . 1 1 143 143 HIS H H 143 8.308 8.308 7.495 0.813 25439 5964 1 8 . 1 1 144 144 GLN N N 144 115.094 115.094 115.777 -0.683 25439 5965 1 8 . 1 1 144 144 GLN HA H 144 4.433 4.433 4.611 -0.178 25439 5966 1 8 . 1 1 144 144 GLN CA C 144 54.210 54.210 53.275 0.935 25439 5967 1 8 . 1 1 144 144 GLN CB C 144 32.925 32.925 32.058 0.867 25439 5968 1 8 . 1 1 144 144 GLN H H 144 7.203 7.203 7.074 0.129 25439 5969 1 8 . 1 1 145 145 CYS N N 145 123.088 123.088 118.424 4.664 25439 5970 1 8 . 1 1 145 145 CYS HA H 145 4.961 4.961 5.047 -0.086 25439 5971 1 8 . 1 1 145 145 CYS CA C 145 57.978 57.978 56.998 0.980 25439 5972 1 8 . 1 1 145 145 CYS CB C 145 33.555 33.555 30.109 3.446 25439 5973 1 8 . 1 1 145 145 CYS H H 145 8.668 8.668 8.484 0.184 25439 5974 1 8 . 1 1 146 146 VAL N N 146 113.265 113.265 121.298 -8.033 25439 5975 1 8 . 1 1 146 146 VAL HA H 146 4.238 4.238 4.220 0.018 25439 5976 1 8 . 1 1 146 146 VAL CA C 146 64.001 64.001 65.279 -1.278 25439 5977 1 8 . 1 1 146 146 VAL CB C 146 32.157 32.157 32.173 -0.016 25439 5978 1 8 . 1 1 146 146 VAL H H 146 8.198 8.198 8.494 -0.296 25439 5979 1 8 . 1 1 147 147 HIS N N 147 120.556 120.556 117.725 2.831 25439 5980 1 8 . 1 1 147 147 HIS HA H 147 4.604 4.604 4.341 0.263 25439 5981 1 8 . 1 1 147 147 HIS CA C 147 58.708 58.708 58.193 0.515 25439 5982 1 8 . 1 1 147 147 HIS CB C 147 32.204 32.204 29.288 2.916 25439 5983 1 8 . 1 1 147 147 HIS H H 147 7.151 7.151 8.344 -1.193 25439 5984 1 8 . 1 1 148 148 CYS N N 148 112.110 112.110 112.967 -0.857 25439 5985 1 8 . 1 1 148 148 CYS HA H 148 4.889 4.889 4.157 0.732 25439 5986 1 8 . 1 1 148 148 CYS CA C 148 57.952 57.952 55.561 2.391 25439 5987 1 8 . 1 1 148 148 CYS CB C 148 32.956 32.956 30.212 2.744 25439 5988 1 8 . 1 1 148 148 CYS H H 148 7.413 7.413 7.128 0.285 25439 5989 1 8 . 1 1 149 149 GLY N N 149 112.797 112.797 108.059 4.738 25439 5990 1 8 . 1 1 149 149 GLY CA C 149 45.327 45.327 44.605 0.722 25439 5991 1 8 . 1 1 149 149 GLY H H 149 6.949 6.949 8.203 -1.254 25439 5992 1 8 . 1 1 150 150 CYS N N 150 127.277 127.277 120.565 6.712 25439 5993 1 8 . 1 1 150 150 CYS HA H 150 3.932 3.932 4.569 -0.637 25439 5994 1 8 . 1 1 150 150 CYS CA C 150 61.362 61.362 57.126 4.236 25439 5995 1 8 . 1 1 150 150 CYS CB C 150 30.632 30.632 29.704 0.928 25439 5996 1 8 . 1 1 150 150 CYS H H 150 8.240 8.240 7.351 0.889 25439 5997 1 8 . 1 1 151 151 ARG N N 151 125.476 125.476 127.240 -1.764 25439 5998 1 8 . 1 1 151 151 ARG HA H 151 4.775 4.775 4.375 0.400 25439 5999 1 8 . 1 1 151 151 ARG CA C 151 56.164 56.164 55.191 0.974 25439 6000 1 8 . 1 1 151 151 ARG CB C 151 30.354 30.354 29.121 1.233 25439 6001 1 8 . 1 1 151 151 ARG H H 151 8.492 8.492 8.675 -0.183 25439 6002 1 8 . 1 1 152 152 GLY N N 152 117.275 117.275 108.517 8.758 25439 6003 1 8 . 1 1 152 152 GLY CA C 152 45.523 45.523 45.584 -0.061 25439 6004 1 8 . 1 1 152 152 GLY H H 152 9.812 9.812 7.794 2.018 25439 6005 1 8 . 1 1 153 153 CYS N N 153 126.187 126.187 119.091 7.096 25439 6006 1 8 . 1 1 153 153 CYS HA H 153 4.842 4.842 4.791 0.051 25439 6007 1 8 . 1 1 153 153 CYS CA C 153 57.130 57.130 55.867 1.263 25439 6008 1 8 . 1 1 153 153 CYS CB C 153 31.368 31.368 28.061 3.307 25439 6009 1 8 . 1 1 153 153 CYS H H 153 8.930 8.930 8.147 0.783 25439 6010 1 8 . 1 1 154 154 ALA N N 154 125.869 125.869 126.176 -0.307 25439 6011 1 8 . 1 1 154 154 ALA HA H 154 4.159 4.159 5.007 -0.848 25439 6012 1 8 . 1 1 154 154 ALA CA C 154 53.187 53.187 51.434 1.754 25439 6013 1 8 . 1 1 154 154 ALA CB C 154 18.937 18.937 21.102 -2.165 25439 6014 1 8 . 1 1 154 154 ALA H H 154 8.616 8.616 8.465 0.151 25439 6015 1 8 . 1 1 155 155 SER N N 155 116.724 116.724 119.089 -2.365 25439 6016 1 8 . 1 1 155 155 SER HA H 155 4.283 4.283 4.396 -0.113 25439 6017 1 8 . 1 1 155 155 SER CA C 155 60.136 60.136 59.629 0.507 25439 6018 1 8 . 1 1 155 155 SER CB C 155 63.575 63.575 63.890 -0.315 25439 6019 1 8 . 1 1 155 155 SER H H 155 9.358 9.358 8.609 0.749 25439 6020 1 8 . 1 1 156 156 THR N N 156 111.893 111.893 116.355 -4.462 25439 6021 1 8 . 1 1 156 156 THR HA H 156 4.358 4.358 4.117 0.241 25439 6022 1 8 . 1 1 156 156 THR CA C 156 61.264 61.264 64.549 -3.285 25439 6023 1 8 . 1 1 156 156 THR CB C 156 69.999 69.999 68.965 1.034 25439 6024 1 8 . 1 1 156 156 THR H H 156 7.638 7.638 8.174 -0.536 25439 6025 1 9 . 1 1 0 0 GLY CA C 0 43.750 43.750 44.299 -0.549 25439 6026 1 9 . 1 1 1 1 SER N N 1 117.201 117.201 115.482 1.719 25439 6027 1 9 . 1 1 1 1 SER HA H 1 4.809 4.809 4.635 0.174 25439 6028 1 9 . 1 1 1 1 SER CA C 1 56.525 56.525 56.198 0.327 25439 6029 1 9 . 1 1 1 1 SER CB C 1 63.385 63.385 63.718 -0.333 25439 6030 1 9 . 1 1 1 1 SER H H 1 8.381 8.381 8.223 0.158 25439 6031 1 9 . 1 1 2 2 PRO HA H 2 4.468 4.468 4.493 -0.025 25439 6032 1 9 . 1 1 2 2 PRO CA C 2 63.292 63.292 62.900 0.392 25439 6033 1 9 . 1 1 2 2 PRO CB C 2 32.174 32.174 31.200 0.974 25439 6034 1 9 . 1 1 3 3 ARG N N 3 121.649 121.649 123.024 -1.375 25439 6035 1 9 . 1 1 3 3 ARG HA H 3 4.324 4.324 4.663 -0.339 25439 6036 1 9 . 1 1 3 3 ARG CA C 3 56.226 56.226 55.553 0.673 25439 6037 1 9 . 1 1 3 3 ARG CB C 3 30.732 30.732 32.093 -1.361 25439 6038 1 9 . 1 1 3 3 ARG H H 3 8.428 8.428 8.117 0.311 25439 6039 1 9 . 1 1 4 4 ILE N N 4 122.500 122.500 124.229 -1.729 25439 6040 1 9 . 1 1 4 4 ILE HA H 4 4.181 4.181 4.318 -0.137 25439 6041 1 9 . 1 1 4 4 ILE CA C 4 60.943 60.943 61.019 -0.076 25439 6042 1 9 . 1 1 4 4 ILE CB C 4 38.751 38.751 39.521 -0.770 25439 6043 1 9 . 1 1 4 4 ILE H H 4 8.165 8.165 8.524 -0.359 25439 6044 1 9 . 1 1 5 5 LYS N N 5 126.237 126.237 128.707 -2.470 25439 6045 1 9 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.567 -0.165 25439 6046 1 9 . 1 1 5 5 LYS CA C 5 56.422 56.422 56.104 0.318 25439 6047 1 9 . 1 1 5 5 LYS CB C 5 33.130 33.130 32.456 0.674 25439 6048 1 9 . 1 1 5 5 LYS H H 5 8.500 8.500 8.519 -0.019 25439 6049 1 9 . 1 1 6 6 THR N N 6 116.495 116.495 115.528 0.967 25439 6050 1 9 . 1 1 6 6 THR HA H 6 4.323 4.323 4.473 -0.150 25439 6051 1 9 . 1 1 6 6 THR CA C 6 61.918 61.918 61.188 0.730 25439 6052 1 9 . 1 1 6 6 THR CB C 6 69.963 69.963 70.586 -0.623 25439 6053 1 9 . 1 1 6 6 THR H H 6 8.194 8.194 8.244 -0.050 25439 6054 1 9 . 1 1 7 7 ARG N N 7 124.128 124.128 122.384 1.744 25439 6055 1 9 . 1 1 7 7 ARG HA H 7 4.396 4.396 4.656 -0.260 25439 6056 1 9 . 1 1 7 7 ARG CA C 7 56.128 56.128 55.709 0.419 25439 6057 1 9 . 1 1 7 7 ARG CB C 7 30.953 30.953 31.016 -0.063 25439 6058 1 9 . 1 1 7 7 ARG H H 7 8.458 8.458 8.489 -0.031 25439 6059 1 9 . 1 1 8 8 ARG N N 8 123.384 123.384 122.370 1.014 25439 6060 1 9 . 1 1 8 8 ARG HA H 8 4.424 4.424 4.589 -0.165 25439 6061 1 9 . 1 1 8 8 ARG CA C 8 56.011 56.011 55.041 0.971 25439 6062 1 9 . 1 1 8 8 ARG CB C 8 31.058 31.058 32.605 -1.546 25439 6063 1 9 . 1 1 8 8 ARG H H 8 8.526 8.526 8.576 -0.050 25439 6064 1 9 . 1 1 9 9 SER N N 9 118.446 118.446 117.046 1.400 25439 6065 1 9 . 1 1 9 9 SER HA H 9 4.473 4.473 4.699 -0.226 25439 6066 1 9 . 1 1 9 9 SER CA C 9 58.568 58.568 57.684 0.884 25439 6067 1 9 . 1 1 9 9 SER CB C 9 63.986 63.986 63.627 0.359 25439 6068 1 9 . 1 1 9 9 SER H H 9 8.450 8.450 8.545 -0.095 25439 6069 1 9 . 1 1 10 10 LYS N N 10 124.117 124.117 123.591 0.526 25439 6070 1 9 . 1 1 10 10 LYS HA H 10 4.673 4.673 4.904 -0.231 25439 6071 1 9 . 1 1 10 10 LYS CA C 10 54.412 54.412 53.308 1.104 25439 6072 1 9 . 1 1 10 10 LYS CB C 10 32.693 32.693 34.327 -1.633 25439 6073 1 9 . 1 1 10 10 LYS H H 10 8.426 8.426 8.526 -0.100 25439 6074 1 9 . 1 1 11 11 PRO HA H 11 4.360 4.360 4.533 -0.173 25439 6075 1 9 . 1 1 11 11 PRO CA C 11 62.861 62.861 62.836 0.025 25439 6076 1 9 . 1 1 11 11 PRO CB C 11 32.106 32.106 32.118 -0.013 25439 6077 1 9 . 1 1 12 12 ALA N N 12 124.420 124.420 122.724 1.696 25439 6078 1 9 . 1 1 12 12 ALA HA H 12 2.889 2.889 3.250 -0.361 25439 6079 1 9 . 1 1 12 12 ALA CA C 12 49.735 49.735 49.013 0.722 25439 6080 1 9 . 1 1 12 12 ALA CB C 12 18.066 18.066 16.981 1.085 25439 6081 1 9 . 1 1 12 12 ALA H H 12 7.890 7.890 7.747 0.143 25439 6082 1 9 . 1 1 13 13 PRO HA H 13 4.207 4.207 4.432 -0.225 25439 6083 1 9 . 1 1 13 13 PRO CA C 13 62.111 62.111 61.903 0.208 25439 6084 1 9 . 1 1 13 13 PRO CB C 13 32.582 32.582 32.484 0.098 25439 6085 1 9 . 1 1 14 14 ASP N N 14 119.535 119.535 120.093 -0.558 25439 6086 1 9 . 1 1 14 14 ASP HA H 14 4.379 4.379 4.284 0.095 25439 6087 1 9 . 1 1 14 14 ASP CA C 14 56.427 56.427 57.465 -1.038 25439 6088 1 9 . 1 1 14 14 ASP CB C 14 41.177 41.177 40.741 0.436 25439 6089 1 9 . 1 1 14 14 ASP H H 14 8.206 8.206 8.640 -0.434 25439 6090 1 9 . 1 1 15 15 GLY N N 15 113.273 113.273 107.748 5.525 25439 6091 1 9 . 1 1 15 15 GLY CA C 15 45.146 45.146 46.706 -1.560 25439 6092 1 9 . 1 1 15 15 GLY H H 15 8.723 8.723 8.445 0.278 25439 6093 1 9 . 1 1 16 16 PHE N N 16 123.113 123.113 122.845 0.268 25439 6094 1 9 . 1 1 16 16 PHE HA H 16 4.125 4.125 4.238 -0.113 25439 6095 1 9 . 1 1 16 16 PHE CA C 16 60.715 60.715 59.453 1.262 25439 6096 1 9 . 1 1 16 16 PHE CB C 16 39.639 39.639 39.113 0.526 25439 6097 1 9 . 1 1 16 16 PHE H H 16 8.127 8.127 8.307 -0.180 25439 6098 1 9 . 1 1 17 17 GLU N N 17 115.695 115.695 119.401 -3.706 25439 6099 1 9 . 1 1 17 17 GLU HA H 17 3.768 3.768 3.841 -0.073 25439 6100 1 9 . 1 1 17 17 GLU CA C 17 59.234 59.234 59.482 -0.248 25439 6101 1 9 . 1 1 17 17 GLU CB C 17 28.495 28.495 29.325 -0.830 25439 6102 1 9 . 1 1 17 17 GLU H H 17 9.088 9.088 8.132 0.956 25439 6103 1 9 . 1 1 18 18 LYS N N 18 115.887 115.887 117.625 -1.738 25439 6104 1 9 . 1 1 18 18 LYS HA H 18 4.165 4.165 4.078 0.087 25439 6105 1 9 . 1 1 18 18 LYS CA C 18 58.249 58.249 58.576 -0.327 25439 6106 1 9 . 1 1 18 18 LYS CB C 18 32.725 32.725 32.751 -0.026 25439 6107 1 9 . 1 1 18 18 LYS H H 18 7.285 7.285 7.821 -0.536 25439 6108 1 9 . 1 1 19 19 ILE N N 19 110.277 110.277 110.734 -0.457 25439 6109 1 9 . 1 1 19 19 ILE HA H 19 4.722 4.722 4.712 0.010 25439 6110 1 9 . 1 1 19 19 ILE CA C 19 61.093 61.093 59.990 1.103 25439 6111 1 9 . 1 1 19 19 ILE CB C 19 39.139 39.139 38.149 0.990 25439 6112 1 9 . 1 1 19 19 ILE H H 19 7.031 7.031 7.536 -0.505 25439 6113 1 9 . 1 1 20 20 LYS N N 20 124.540 124.540 122.604 1.936 25439 6114 1 9 . 1 1 20 20 LYS HA H 20 3.603 3.603 3.896 -0.293 25439 6115 1 9 . 1 1 20 20 LYS CA C 20 60.917 60.917 59.843 1.074 25439 6116 1 9 . 1 1 20 20 LYS CB C 20 30.210 30.210 30.545 -0.335 25439 6117 1 9 . 1 1 20 20 LYS H H 20 7.666 7.666 7.558 0.108 25439 6118 1 9 . 1 1 21 21 PRO HA H 21 4.292 4.292 4.591 -0.299 25439 6119 1 9 . 1 1 21 21 PRO CA C 21 66.990 66.990 65.264 1.726 25439 6120 1 9 . 1 1 21 21 PRO CB C 21 30.779 30.779 31.480 -0.701 25439 6121 1 9 . 1 1 22 22 THR N N 22 114.917 114.917 115.346 -0.429 25439 6122 1 9 . 1 1 22 22 THR HA H 22 3.866 3.866 4.044 -0.178 25439 6123 1 9 . 1 1 22 22 THR CA C 22 66.575 66.575 66.662 -0.087 25439 6124 1 9 . 1 1 22 22 THR CB C 22 68.731 68.731 68.153 0.578 25439 6125 1 9 . 1 1 22 22 THR H H 22 7.331 7.331 8.452 -1.121 25439 6126 1 9 . 1 1 23 23 LEU N N 23 120.152 120.152 120.100 0.052 25439 6127 1 9 . 1 1 23 23 LEU HA H 23 4.397 4.397 4.075 0.322 25439 6128 1 9 . 1 1 23 23 LEU CA C 23 58.740 58.740 57.680 1.060 25439 6129 1 9 . 1 1 23 23 LEU CB C 23 40.489 40.489 41.511 -1.022 25439 6130 1 9 . 1 1 23 23 LEU H H 23 7.991 7.991 7.730 0.261 25439 6131 1 9 . 1 1 24 24 THR N N 24 119.365 119.365 115.759 3.606 25439 6132 1 9 . 1 1 24 24 THR HA H 24 4.095 4.095 3.922 0.173 25439 6133 1 9 . 1 1 24 24 THR CA C 24 66.834 66.834 66.742 0.092 25439 6134 1 9 . 1 1 24 24 THR CB C 24 68.614 68.614 68.441 0.173 25439 6135 1 9 . 1 1 24 24 THR H H 24 9.175 9.175 7.594 1.581 25439 6136 1 9 . 1 1 25 25 ASP N N 25 122.865 122.865 122.083 0.782 25439 6137 1 9 . 1 1 25 25 ASP HA H 25 4.483 4.483 4.332 0.151 25439 6138 1 9 . 1 1 25 25 ASP CA C 25 58.158 58.158 57.255 0.903 25439 6139 1 9 . 1 1 25 25 ASP CB C 25 40.329 40.329 40.618 -0.289 25439 6140 1 9 . 1 1 25 25 ASP H H 25 7.714 7.714 7.773 -0.059 25439 6141 1 9 . 1 1 26 26 PHE N N 26 116.182 116.182 119.001 -2.819 25439 6142 1 9 . 1 1 26 26 PHE HA H 26 4.457 4.457 4.151 0.306 25439 6143 1 9 . 1 1 26 26 PHE CA C 26 62.531 62.531 61.678 0.853 25439 6144 1 9 . 1 1 26 26 PHE CB C 26 39.468 39.468 38.886 0.581 25439 6145 1 9 . 1 1 26 26 PHE H H 26 7.816 7.816 7.799 0.017 25439 6146 1 9 . 1 1 27 27 GLU N N 27 120.107 120.107 118.689 1.418 25439 6147 1 9 . 1 1 27 27 GLU HA H 27 4.113 4.113 4.040 0.073 25439 6148 1 9 . 1 1 27 27 GLU CA C 27 59.852 59.852 59.666 0.186 25439 6149 1 9 . 1 1 27 27 GLU CB C 27 29.692 29.692 29.348 0.344 25439 6150 1 9 . 1 1 27 27 GLU H H 27 8.068 8.068 8.016 0.052 25439 6151 1 9 . 1 1 28 28 ILE N N 28 121.494 121.494 118.767 2.727 25439 6152 1 9 . 1 1 28 28 ILE HA H 28 3.718 3.718 3.861 -0.143 25439 6153 1 9 . 1 1 28 28 ILE CA C 28 65.002 65.002 64.848 0.154 25439 6154 1 9 . 1 1 28 28 ILE CB C 28 38.023 38.023 38.193 -0.170 25439 6155 1 9 . 1 1 28 28 ILE H H 28 8.531 8.531 7.874 0.657 25439 6156 1 9 . 1 1 29 29 GLN N N 29 118.941 118.941 119.500 -0.559 25439 6157 1 9 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.107 0.073 25439 6158 1 9 . 1 1 29 29 GLN CA C 29 59.507 59.507 58.818 0.689 25439 6159 1 9 . 1 1 29 29 GLN CB C 29 29.783 29.783 28.290 1.493 25439 6160 1 9 . 1 1 29 29 GLN H H 29 8.117 8.117 7.494 0.623 25439 6161 1 9 . 1 1 30 30 LEU N N 30 121.724 121.724 120.753 0.971 25439 6162 1 9 . 1 1 30 30 LEU HA H 30 4.032 4.032 4.193 -0.161 25439 6163 1 9 . 1 1 30 30 LEU CA C 30 58.333 58.333 57.775 0.558 25439 6164 1 9 . 1 1 30 30 LEU CB C 30 42.339 42.339 42.027 0.312 25439 6165 1 9 . 1 1 30 30 LEU H H 30 8.677 8.677 8.871 -0.194 25439 6166 1 9 . 1 1 31 31 ARG N N 31 120.629 120.629 118.503 2.126 25439 6167 1 9 . 1 1 31 31 ARG HA H 31 4.105 4.105 4.076 0.029 25439 6168 1 9 . 1 1 31 31 ARG CA C 31 59.340 59.340 59.332 0.008 25439 6169 1 9 . 1 1 31 31 ARG CB C 31 30.044 30.044 29.300 0.744 25439 6170 1 9 . 1 1 31 31 ARG H H 31 8.227 8.227 8.183 0.044 25439 6171 1 9 . 1 1 32 32 ASP N N 32 120.233 120.233 121.442 -1.209 25439 6172 1 9 . 1 1 32 32 ASP HA H 32 4.484 4.484 4.385 0.099 25439 6173 1 9 . 1 1 32 32 ASP CA C 32 57.199 57.199 58.109 -0.910 25439 6174 1 9 . 1 1 32 32 ASP CB C 32 40.202 40.202 40.325 -0.124 25439 6175 1 9 . 1 1 32 32 ASP H H 32 8.407 8.407 7.864 0.543 25439 6176 1 9 . 1 1 33 33 ALA N N 33 121.939 121.939 121.797 0.142 25439 6177 1 9 . 1 1 33 33 ALA HA H 33 4.321 4.321 4.152 0.169 25439 6178 1 9 . 1 1 33 33 ALA CA C 33 54.207 54.207 55.037 -0.830 25439 6179 1 9 . 1 1 33 33 ALA CB C 33 18.738 18.738 18.524 0.214 25439 6180 1 9 . 1 1 33 33 ALA H H 33 8.057 8.057 7.560 0.497 25439 6181 1 9 . 1 1 34 34 GLN N N 34 114.736 114.736 117.555 -2.819 25439 6182 1 9 . 1 1 34 34 GLN HA H 34 4.248 4.248 4.043 0.205 25439 6183 1 9 . 1 1 34 34 GLN CA C 34 56.567 56.567 58.779 -2.212 25439 6184 1 9 . 1 1 34 34 GLN CB C 34 29.743 29.743 28.785 0.958 25439 6185 1 9 . 1 1 34 34 GLN H H 34 7.746 7.746 8.092 -0.346 25439 6186 1 9 . 1 1 35 35 LYS N N 35 120.534 120.534 118.785 1.749 25439 6187 1 9 . 1 1 35 35 LYS HA H 35 4.232 4.232 4.218 0.014 25439 6188 1 9 . 1 1 35 35 LYS CA C 35 57.427 57.427 58.451 -1.024 25439 6189 1 9 . 1 1 35 35 LYS CB C 35 32.887 32.887 32.595 0.292 25439 6190 1 9 . 1 1 35 35 LYS H H 35 7.570 7.570 8.159 -0.589 25439 6191 1 9 . 1 1 36 36 ASP N N 36 120.943 120.943 120.756 0.187 25439 6192 1 9 . 1 1 36 36 ASP HA H 36 4.595 4.595 4.387 0.208 25439 6193 1 9 . 1 1 36 36 ASP CA C 36 54.983 54.983 56.893 -1.910 25439 6194 1 9 . 1 1 36 36 ASP CB C 36 41.129 41.129 40.839 0.290 25439 6195 1 9 . 1 1 36 36 ASP H H 36 8.375 8.375 8.075 0.300 25439 6196 1 9 . 1 1 37 37 LYS N N 37 122.598 122.598 117.939 4.659 25439 6197 1 9 . 1 1 37 37 LYS HA H 37 4.365 4.365 4.003 0.362 25439 6198 1 9 . 1 1 37 37 LYS CA C 37 56.725 56.725 57.465 -0.740 25439 6199 1 9 . 1 1 37 37 LYS CB C 37 32.823 32.823 32.783 0.040 25439 6200 1 9 . 1 1 37 37 LYS H H 37 8.446 8.446 7.647 0.799 25439 6201 1 9 . 1 1 38 38 SER N N 38 115.849 115.849 111.615 4.234 25439 6202 1 9 . 1 1 38 38 SER HA H 38 4.423 4.423 4.252 0.171 25439 6203 1 9 . 1 1 38 38 SER CA C 38 59.193 59.193 59.128 0.065 25439 6204 1 9 . 1 1 38 38 SER CB C 38 63.744 63.744 63.043 0.701 25439 6205 1 9 . 1 1 38 38 SER H H 38 8.392 8.392 7.774 0.618 25439 6206 1 9 . 1 1 39 39 SER N N 39 117.258 117.258 116.427 0.831 25439 6207 1 9 . 1 1 39 39 SER HA H 39 4.445 4.445 4.503 -0.058 25439 6208 1 9 . 1 1 39 39 SER CA C 39 58.933 58.933 59.969 -1.036 25439 6209 1 9 . 1 1 39 39 SER CB C 39 63.711 63.711 63.841 -0.130 25439 6210 1 9 . 1 1 39 39 SER H H 39 8.283 8.283 8.409 -0.126 25439 6211 1 9 . 1 1 40 40 LYS N N 40 122.427 122.427 122.840 -0.413 25439 6212 1 9 . 1 1 40 40 LYS HA H 40 4.321 4.321 4.479 -0.158 25439 6213 1 9 . 1 1 40 40 LYS CA C 40 56.847 56.847 55.437 1.410 25439 6214 1 9 . 1 1 40 40 LYS CB C 40 32.764 32.764 31.661 1.103 25439 6215 1 9 . 1 1 40 40 LYS H H 40 8.263 8.263 8.386 -0.123 25439 6216 1 9 . 1 1 41 41 LEU N N 41 121.281 121.281 122.210 -0.929 25439 6217 1 9 . 1 1 41 41 LEU HA H 41 4.308 4.308 4.366 -0.058 25439 6218 1 9 . 1 1 41 41 LEU CA C 41 55.335 55.335 55.795 -0.460 25439 6219 1 9 . 1 1 41 41 LEU CB C 41 42.212 42.212 43.906 -1.694 25439 6220 1 9 . 1 1 41 41 LEU H H 41 8.068 8.068 7.621 0.447 25439 6221 1 9 . 1 1 42 42 ALA N N 42 123.964 123.964 128.051 -4.087 25439 6222 1 9 . 1 1 42 42 ALA HA H 42 4.274 4.274 4.688 -0.414 25439 6223 1 9 . 1 1 42 42 ALA CA C 42 52.851 52.851 51.636 1.215 25439 6224 1 9 . 1 1 42 42 ALA CB C 42 19.135 19.135 19.150 -0.015 25439 6225 1 9 . 1 1 42 42 ALA H H 42 8.111 8.111 8.525 -0.414 25439 6226 1 9 . 1 1 43 43 ALA N N 43 122.146 122.146 127.030 -4.884 25439 6227 1 9 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.314 -0.017 25439 6228 1 9 . 1 1 43 43 ALA CA C 43 52.727 52.727 52.578 0.149 25439 6229 1 9 . 1 1 43 43 ALA CB C 43 19.318 19.318 20.030 -0.712 25439 6230 1 9 . 1 1 43 43 ALA H H 43 8.101 8.101 8.337 -0.236 25439 6231 1 9 . 1 1 44 44 LYS N N 44 119.454 119.454 121.506 -2.052 25439 6232 1 9 . 1 1 44 44 LYS HA H 44 4.349 4.349 3.881 0.468 25439 6233 1 9 . 1 1 44 44 LYS CA C 44 56.267 56.267 56.588 -0.321 25439 6234 1 9 . 1 1 44 44 LYS CB C 44 32.825 32.825 31.300 1.525 25439 6235 1 9 . 1 1 44 44 LYS H H 44 8.198 8.198 8.590 -0.392 25439 6236 1 9 . 1 1 45 45 SER N N 45 116.660 116.660 115.761 0.899 25439 6237 1 9 . 1 1 45 45 SER HA H 45 4.368 4.368 4.290 0.078 25439 6238 1 9 . 1 1 45 45 SER CA C 45 58.477 58.477 59.824 -1.347 25439 6239 1 9 . 1 1 45 45 SER CB C 45 64.063 64.063 63.655 0.408 25439 6240 1 9 . 1 1 45 45 SER H H 45 8.251 8.251 8.273 -0.022 25439 6241 1 9 . 1 1 46 46 ASN N N 46 120.516 120.516 119.835 0.681 25439 6242 1 9 . 1 1 46 46 ASN HA H 46 4.361 4.361 4.242 0.119 25439 6243 1 9 . 1 1 46 46 ASN CA C 46 54.657 54.657 56.615 -1.958 25439 6244 1 9 . 1 1 46 46 ASN CB C 46 37.649 37.649 37.996 -0.347 25439 6245 1 9 . 1 1 46 46 ASN H H 46 8.498 8.498 8.498 0.000 25439 6246 1 9 . 1 1 47 47 GLU N N 47 117.964 117.964 116.693 1.271 25439 6247 1 9 . 1 1 47 47 GLU HA H 47 3.350 3.350 2.483 0.867 25439 6248 1 9 . 1 1 47 47 GLU CA C 47 59.213 59.213 58.901 0.312 25439 6249 1 9 . 1 1 47 47 GLU CB C 47 28.998 28.998 28.854 0.144 25439 6250 1 9 . 1 1 47 47 GLU H H 47 8.016 8.016 8.163 -0.147 25439 6251 1 9 . 1 1 48 48 GLN N N 48 119.468 119.468 119.128 0.340 25439 6252 1 9 . 1 1 48 48 GLN HA H 48 4.250 4.250 4.040 0.210 25439 6253 1 9 . 1 1 48 48 GLN CA C 48 58.529 58.529 58.161 0.368 25439 6254 1 9 . 1 1 48 48 GLN CB C 48 28.902 28.902 28.218 0.684 25439 6255 1 9 . 1 1 48 48 GLN H H 48 7.892 7.892 7.600 0.292 25439 6256 1 9 . 1 1 49 49 LEU N N 49 120.145 120.145 119.903 0.242 25439 6257 1 9 . 1 1 49 49 LEU HA H 49 4.232 4.232 3.959 0.273 25439 6258 1 9 . 1 1 49 49 LEU CA C 49 57.479 57.479 57.967 -0.488 25439 6259 1 9 . 1 1 49 49 LEU CB C 49 41.391 41.391 41.715 -0.324 25439 6260 1 9 . 1 1 49 49 LEU H H 49 7.699 7.699 7.791 -0.092 25439 6261 1 9 . 1 1 50 50 TRP N N 50 119.596 119.596 117.981 1.615 25439 6262 1 9 . 1 1 50 50 TRP HA H 50 4.520 4.520 4.407 0.113 25439 6263 1 9 . 1 1 50 50 TRP CA C 50 58.353 58.353 57.885 0.468 25439 6264 1 9 . 1 1 50 50 TRP CB C 50 28.880 28.880 28.104 0.776 25439 6265 1 9 . 1 1 50 50 TRP H H 50 8.385 8.385 7.878 0.507 25439 6266 1 9 . 1 1 51 51 GLU N N 51 119.362 119.362 119.806 -0.444 25439 6267 1 9 . 1 1 51 51 GLU HA H 51 4.145 4.145 4.294 -0.149 25439 6268 1 9 . 1 1 51 51 GLU CA C 51 60.035 60.035 59.349 0.686 25439 6269 1 9 . 1 1 51 51 GLU CB C 51 29.675 29.675 29.442 0.234 25439 6270 1 9 . 1 1 51 51 GLU H H 51 8.223 8.223 7.942 0.281 25439 6271 1 9 . 1 1 52 52 ILE N N 52 119.018 119.018 119.400 -0.382 25439 6272 1 9 . 1 1 52 52 ILE HA H 52 3.673 3.673 3.737 -0.064 25439 6273 1 9 . 1 1 52 52 ILE CA C 52 65.511 65.511 65.114 0.397 25439 6274 1 9 . 1 1 52 52 ILE CB C 52 38.532 38.532 38.081 0.451 25439 6275 1 9 . 1 1 52 52 ILE H H 52 7.801 7.801 7.358 0.443 25439 6276 1 9 . 1 1 53 53 MET N N 53 118.133 118.133 117.227 0.906 25439 6277 1 9 . 1 1 53 53 MET HA H 53 4.452 4.452 4.117 0.335 25439 6278 1 9 . 1 1 53 53 MET CA C 53 58.216 58.216 58.625 -0.409 25439 6279 1 9 . 1 1 53 53 MET CB C 53 31.838 31.838 31.972 -0.134 25439 6280 1 9 . 1 1 53 53 MET H H 53 8.411 8.411 8.029 0.382 25439 6281 1 9 . 1 1 54 54 GLN N N 54 120.855 120.855 119.324 1.531 25439 6282 1 9 . 1 1 54 54 GLN HA H 54 4.333 4.333 3.986 0.347 25439 6283 1 9 . 1 1 54 54 GLN CA C 54 59.004 59.004 58.392 0.612 25439 6284 1 9 . 1 1 54 54 GLN CB C 54 27.824 27.824 28.913 -1.089 25439 6285 1 9 . 1 1 54 54 GLN H H 54 8.860 8.860 8.530 0.330 25439 6286 1 9 . 1 1 55 55 LEU N N 55 122.788 122.788 120.291 2.497 25439 6287 1 9 . 1 1 55 55 LEU HA H 55 4.302 4.302 4.171 0.131 25439 6288 1 9 . 1 1 55 55 LEU CA C 55 58.685 58.685 58.311 0.374 25439 6289 1 9 . 1 1 55 55 LEU CB C 55 42.695 42.695 42.050 0.645 25439 6290 1 9 . 1 1 55 55 LEU H H 55 8.298 8.298 8.148 0.150 25439 6291 1 9 . 1 1 56 56 HIS N N 56 118.426 118.426 117.444 0.982 25439 6292 1 9 . 1 1 56 56 HIS HA H 56 4.317 4.317 4.122 0.195 25439 6293 1 9 . 1 1 56 56 HIS CA C 56 60.732 60.732 60.447 0.285 25439 6294 1 9 . 1 1 56 56 HIS CB C 56 30.530 30.530 29.746 0.784 25439 6295 1 9 . 1 1 56 56 HIS H H 56 8.416 8.416 7.897 0.519 25439 6296 1 9 . 1 1 57 57 HIS N N 57 121.197 121.197 119.069 2.128 25439 6297 1 9 . 1 1 57 57 HIS HA H 57 4.318 4.318 4.530 -0.212 25439 6298 1 9 . 1 1 57 57 HIS CA C 57 60.739 60.739 58.973 1.766 25439 6299 1 9 . 1 1 57 57 HIS CB C 57 28.726 28.726 30.232 -1.506 25439 6300 1 9 . 1 1 57 57 HIS H H 57 8.608 8.608 8.153 0.455 25439 6301 1 9 . 1 1 58 58 GLN N N 58 118.739 118.739 118.724 0.015 25439 6302 1 9 . 1 1 58 58 GLN HA H 58 4.202 4.202 4.127 0.075 25439 6303 1 9 . 1 1 58 58 GLN CA C 58 59.507 59.507 59.574 -0.067 25439 6304 1 9 . 1 1 58 58 GLN CB C 58 29.111 29.111 28.436 0.675 25439 6305 1 9 . 1 1 58 58 GLN H H 58 9.206 9.206 8.470 0.736 25439 6306 1 9 . 1 1 59 59 ARG N N 59 122.498 122.498 119.363 3.135 25439 6307 1 9 . 1 1 59 59 ARG HA H 59 3.437 3.437 3.877 -0.440 25439 6308 1 9 . 1 1 59 59 ARG CA C 59 60.361 60.361 59.005 1.356 25439 6309 1 9 . 1 1 59 59 ARG H H 59 8.623 8.623 7.897 0.726 25439 6310 1 9 . 1 1 60 60 SER N N 60 114.930 114.930 115.358 -0.428 25439 6311 1 9 . 1 1 60 60 SER HA H 60 4.515 4.515 4.317 0.198 25439 6312 1 9 . 1 1 60 60 SER CA C 60 64.832 64.832 61.674 3.158 25439 6313 1 9 . 1 1 60 60 SER CB C 60 63.583 63.583 63.101 0.482 25439 6314 1 9 . 1 1 60 60 SER H H 60 7.993 7.993 8.389 -0.396 25439 6315 1 9 . 1 1 61 61 ARG N N 61 124.417 124.417 122.508 1.909 25439 6316 1 9 . 1 1 61 61 ARG HA H 61 4.204 4.204 4.031 0.173 25439 6317 1 9 . 1 1 61 61 ARG CA C 61 58.852 58.852 59.765 -0.913 25439 6318 1 9 . 1 1 61 61 ARG CB C 61 29.077 29.077 30.189 -1.112 25439 6319 1 9 . 1 1 61 61 ARG H H 61 9.569 9.569 8.407 1.162 25439 6320 1 9 . 1 1 62 62 TYR N N 62 124.484 124.484 121.124 3.360 25439 6321 1 9 . 1 1 62 62 TYR HA H 62 4.676 4.676 4.296 0.380 25439 6322 1 9 . 1 1 62 62 TYR CA C 62 61.006 61.006 62.041 -1.035 25439 6323 1 9 . 1 1 62 62 TYR CB C 62 38.392 38.392 38.762 -0.370 25439 6324 1 9 . 1 1 62 62 TYR H H 62 8.622 8.622 8.421 0.201 25439 6325 1 9 . 1 1 63 63 ILE N N 63 119.789 119.789 119.107 0.682 25439 6326 1 9 . 1 1 63 63 ILE HA H 63 3.492 3.492 3.747 -0.255 25439 6327 1 9 . 1 1 63 63 ILE CA C 63 65.693 65.693 65.658 0.035 25439 6328 1 9 . 1 1 63 63 ILE CB C 63 38.023 38.023 38.202 -0.179 25439 6329 1 9 . 1 1 63 63 ILE H H 63 7.588 7.588 8.497 -0.909 25439 6330 1 9 . 1 1 64 64 TYR N N 64 120.485 120.485 121.400 -0.915 25439 6331 1 9 . 1 1 64 64 TYR HA H 64 4.577 4.577 4.276 0.301 25439 6332 1 9 . 1 1 64 64 TYR CA C 64 61.759 61.759 62.701 -0.942 25439 6333 1 9 . 1 1 64 64 TYR CB C 64 39.772 39.772 38.622 1.150 25439 6334 1 9 . 1 1 64 64 TYR H H 64 9.166 9.166 9.182 -0.016 25439 6335 1 9 . 1 1 65 65 THR N N 65 117.072 117.072 117.649 -0.577 25439 6336 1 9 . 1 1 65 65 THR HA H 65 3.562 3.562 3.978 -0.416 25439 6337 1 9 . 1 1 65 65 THR CA C 65 67.016 67.016 67.828 -0.812 25439 6338 1 9 . 1 1 65 65 THR CB C 65 68.711 68.711 68.820 -0.109 25439 6339 1 9 . 1 1 65 65 THR H H 65 8.987 8.987 8.810 0.177 25439 6340 1 9 . 1 1 66 66 LEU N N 66 122.107 122.107 120.598 1.509 25439 6341 1 9 . 1 1 66 66 LEU HA H 66 3.782 3.782 4.261 -0.479 25439 6342 1 9 . 1 1 66 66 LEU CA C 66 58.476 58.476 58.197 0.279 25439 6343 1 9 . 1 1 66 66 LEU CB C 66 43.183 43.183 40.972 2.211 25439 6344 1 9 . 1 1 66 66 LEU H H 66 8.286 8.286 7.694 0.592 25439 6345 1 9 . 1 1 67 67 TYR N N 67 115.264 115.264 119.355 -4.091 25439 6346 1 9 . 1 1 67 67 TYR HA H 67 4.344 4.344 4.067 0.277 25439 6347 1 9 . 1 1 67 67 TYR CA C 67 60.830 60.830 61.335 -0.505 25439 6348 1 9 . 1 1 67 67 TYR CB C 67 40.376 40.376 39.590 0.786 25439 6349 1 9 . 1 1 67 67 TYR H H 67 7.983 7.983 8.215 -0.232 25439 6350 1 9 . 1 1 68 68 TYR N N 68 113.945 113.945 115.033 -1.088 25439 6351 1 9 . 1 1 68 68 TYR HA H 68 3.699 3.699 4.237 -0.538 25439 6352 1 9 . 1 1 68 68 TYR CA C 68 62.030 62.030 59.140 2.890 25439 6353 1 9 . 1 1 68 68 TYR CB C 68 38.046 38.046 38.114 -0.068 25439 6354 1 9 . 1 1 68 68 TYR H H 68 8.297 8.297 8.119 0.178 25439 6355 1 9 . 1 1 69 69 LYS N N 69 114.346 114.346 117.289 -2.943 25439 6356 1 9 . 1 1 69 69 LYS HA H 69 4.564 4.564 4.464 0.100 25439 6357 1 9 . 1 1 69 69 LYS CA C 69 56.821 56.821 56.829 -0.008 25439 6358 1 9 . 1 1 69 69 LYS CB C 69 31.980 31.980 33.455 -1.475 25439 6359 1 9 . 1 1 69 69 LYS H H 69 7.084 7.084 7.553 -0.469 25439 6360 1 9 . 1 1 70 70 ARG N N 70 114.676 114.676 120.093 -5.417 25439 6361 1 9 . 1 1 70 70 ARG HA H 70 4.251 4.251 4.167 0.084 25439 6362 1 9 . 1 1 70 70 ARG CA C 70 56.314 56.314 56.733 -0.419 25439 6363 1 9 . 1 1 70 70 ARG CB C 70 31.128 31.128 30.557 0.571 25439 6364 1 9 . 1 1 70 70 ARG H H 70 8.178 8.178 8.320 -0.142 25439 6365 1 9 . 1 1 71 71 LYS N N 71 115.371 115.371 115.814 -0.443 25439 6366 1 9 . 1 1 71 71 LYS HA H 71 4.036 4.036 3.814 0.222 25439 6367 1 9 . 1 1 71 71 LYS CA C 71 57.121 57.121 57.266 -0.145 25439 6368 1 9 . 1 1 71 71 LYS CB C 71 28.897 28.897 30.198 -1.301 25439 6369 1 9 . 1 1 71 71 LYS H H 71 6.843 6.843 7.794 -0.951 25439 6370 1 9 . 1 1 72 72 ALA N N 72 117.701 117.701 121.240 -3.539 25439 6371 1 9 . 1 1 72 72 ALA HA H 72 4.395 4.395 4.488 -0.093 25439 6372 1 9 . 1 1 72 72 ALA CA C 72 52.597 52.597 52.014 0.583 25439 6373 1 9 . 1 1 72 72 ALA CB C 72 21.560 21.560 19.909 1.651 25439 6374 1 9 . 1 1 72 72 ALA H H 72 8.560 8.560 7.686 0.874 25439 6375 1 9 . 1 1 73 73 ILE N N 73 107.605 107.605 117.239 -9.634 25439 6376 1 9 . 1 1 73 73 ILE CB C 73 42.724 42.724 41.459 1.265 25439 6377 1 9 . 1 1 73 73 ILE H H 73 7.074 7.074 7.438 -0.364 25439 6378 1 9 . 1 1 74 74 SER N N 74 118.425 118.425 118.346 0.079 25439 6379 1 9 . 1 1 74 74 SER HA H 74 4.484 4.484 4.896 -0.412 25439 6380 1 9 . 1 1 74 74 SER CA C 74 57.082 57.082 56.758 0.324 25439 6381 1 9 . 1 1 74 74 SER CB C 74 65.396 65.396 65.005 0.391 25439 6382 1 9 . 1 1 74 74 SER H H 74 8.797 8.797 8.506 0.291 25439 6383 1 9 . 1 1 75 75 LYS N N 75 121.891 121.891 124.926 -3.035 25439 6384 1 9 . 1 1 75 75 LYS HA H 75 3.851 3.851 4.192 -0.341 25439 6385 1 9 . 1 1 75 75 LYS CA C 75 59.624 59.624 59.933 -0.309 25439 6386 1 9 . 1 1 75 75 LYS CB C 75 32.368 32.368 32.435 -0.067 25439 6387 1 9 . 1 1 75 75 LYS H H 75 9.024 9.024 9.134 -0.110 25439 6388 1 9 . 1 1 76 76 ASP N N 76 115.908 115.908 118.709 -2.801 25439 6389 1 9 . 1 1 76 76 ASP HA H 76 4.423 4.423 4.406 0.017 25439 6390 1 9 . 1 1 76 76 ASP CA C 76 57.362 57.362 57.526 -0.164 25439 6391 1 9 . 1 1 76 76 ASP CB C 76 40.391 40.391 40.402 -0.011 25439 6392 1 9 . 1 1 76 76 ASP H H 76 8.161 8.161 8.512 -0.351 25439 6393 1 9 . 1 1 77 77 LEU N N 77 121.705 121.705 121.401 0.304 25439 6394 1 9 . 1 1 77 77 LEU HA H 77 4.180 4.180 4.110 0.070 25439 6395 1 9 . 1 1 77 77 LEU CA C 77 57.818 57.818 57.810 0.008 25439 6396 1 9 . 1 1 77 77 LEU H H 77 8.345 8.345 7.751 0.594 25439 6397 1 9 . 1 1 78 78 TYR N N 78 121.511 121.511 119.802 1.709 25439 6398 1 9 . 1 1 78 78 TYR HA H 78 3.789 3.789 3.997 -0.208 25439 6399 1 9 . 1 1 78 78 TYR CA C 78 62.857 62.857 60.636 2.221 25439 6400 1 9 . 1 1 78 78 TYR CB C 78 38.369 38.369 37.754 0.615 25439 6401 1 9 . 1 1 78 78 TYR H H 78 8.598 8.598 8.566 0.032 25439 6402 1 9 . 1 1 79 79 ASP N N 79 117.189 117.189 119.822 -2.633 25439 6403 1 9 . 1 1 79 79 ASP HA H 79 4.066 4.066 4.013 0.053 25439 6404 1 9 . 1 1 79 79 ASP CA C 79 57.219 57.219 57.224 -0.005 25439 6405 1 9 . 1 1 79 79 ASP CB C 79 40.003 40.003 40.680 -0.677 25439 6406 1 9 . 1 1 79 79 ASP H H 79 9.106 9.106 8.533 0.573 25439 6407 1 9 . 1 1 80 80 TRP N N 80 123.400 123.400 122.577 0.823 25439 6408 1 9 . 1 1 80 80 TRP HA H 80 4.160 4.160 4.130 0.030 25439 6409 1 9 . 1 1 80 80 TRP CA C 80 62.368 62.368 61.903 0.465 25439 6410 1 9 . 1 1 80 80 TRP CB C 80 29.969 29.969 29.327 0.642 25439 6411 1 9 . 1 1 80 80 TRP H H 80 7.931 7.931 8.508 -0.577 25439 6412 1 9 . 1 1 81 81 LEU N N 81 119.674 119.674 118.877 0.797 25439 6413 1 9 . 1 1 81 81 LEU HA H 81 3.971 3.971 2.788 1.183 25439 6414 1 9 . 1 1 81 81 LEU CA C 81 58.294 58.294 57.531 0.763 25439 6415 1 9 . 1 1 81 81 LEU CB C 81 41.818 41.818 41.650 0.168 25439 6416 1 9 . 1 1 81 81 LEU H H 81 8.814 8.814 7.963 0.851 25439 6417 1 9 . 1 1 82 82 ILE N N 82 118.746 118.746 116.981 1.765 25439 6418 1 9 . 1 1 82 82 ILE HA H 82 3.861 3.861 3.731 0.130 25439 6419 1 9 . 1 1 82 82 ILE CA C 82 62.734 62.734 63.118 -0.384 25439 6420 1 9 . 1 1 82 82 ILE CB C 82 36.236 36.236 36.689 -0.453 25439 6421 1 9 . 1 1 82 82 ILE H H 82 7.886 7.886 7.470 0.416 25439 6422 1 9 . 1 1 83 83 LYS N N 83 124.819 124.819 119.004 5.815 25439 6423 1 9 . 1 1 83 83 LYS HA H 83 3.911 3.911 4.095 -0.184 25439 6424 1 9 . 1 1 83 83 LYS CA C 83 59.643 59.643 58.162 1.481 25439 6425 1 9 . 1 1 83 83 LYS CB C 83 32.027 32.027 32.558 -0.531 25439 6426 1 9 . 1 1 83 83 LYS H H 83 8.224 8.224 7.673 0.551 25439 6427 1 9 . 1 1 84 84 GLU N N 84 115.404 115.404 117.424 -2.020 25439 6428 1 9 . 1 1 84 84 GLU HA H 84 3.841 3.841 4.262 -0.421 25439 6429 1 9 . 1 1 84 84 GLU CA C 84 55.582 55.582 54.850 0.732 25439 6430 1 9 . 1 1 84 84 GLU CB C 84 29.459 29.459 28.344 1.115 25439 6431 1 9 . 1 1 84 84 GLU H H 84 8.138 8.138 7.408 0.730 25439 6432 1 9 . 1 1 85 85 LYS N N 85 111.563 111.563 118.461 -6.898 25439 6433 1 9 . 1 1 85 85 LYS HA H 85 3.820 3.820 3.948 -0.128 25439 6434 1 9 . 1 1 85 85 LYS CA C 85 57.890 57.890 57.238 0.652 25439 6435 1 9 . 1 1 85 85 LYS CB C 85 28.005 28.005 30.498 -2.493 25439 6436 1 9 . 1 1 85 85 LYS H H 85 7.719 7.719 7.830 -0.111 25439 6437 1 9 . 1 1 86 86 TYR N N 86 116.916 116.916 119.229 -2.313 25439 6438 1 9 . 1 1 86 86 TYR HA H 86 4.137 4.137 4.417 -0.280 25439 6439 1 9 . 1 1 86 86 TYR CA C 86 61.228 61.228 59.195 2.033 25439 6440 1 9 . 1 1 86 86 TYR CB C 86 39.535 39.535 40.743 -1.208 25439 6441 1 9 . 1 1 86 86 TYR H H 86 8.521 8.521 7.878 0.643 25439 6442 1 9 . 1 1 87 87 ALA N N 87 113.715 113.715 119.612 -5.897 25439 6443 1 9 . 1 1 87 87 ALA HA H 87 4.738 4.738 4.389 0.349 25439 6444 1 9 . 1 1 87 87 ALA CA C 87 49.121 49.121 50.728 -1.607 25439 6445 1 9 . 1 1 87 87 ALA CB C 87 23.295 23.295 21.076 2.219 25439 6446 1 9 . 1 1 87 87 ALA H H 87 6.959 6.959 7.958 -0.999 25439 6447 1 9 . 1 1 88 88 ASP N N 88 119.344 119.344 119.803 -0.459 25439 6448 1 9 . 1 1 88 88 ASP HA H 88 4.544 4.544 4.929 -0.385 25439 6449 1 9 . 1 1 88 88 ASP CA C 88 52.714 52.714 53.288 -0.574 25439 6450 1 9 . 1 1 88 88 ASP CB C 88 41.845 41.845 41.572 0.273 25439 6451 1 9 . 1 1 88 88 ASP H H 88 7.870 7.870 8.756 -0.886 25439 6452 1 9 . 1 1 89 89 LYS N N 89 125.312 125.312 126.318 -1.006 25439 6453 1 9 . 1 1 89 89 LYS HA H 89 3.834 3.834 4.125 -0.291 25439 6454 1 9 . 1 1 89 89 LYS CA C 89 59.409 59.409 59.853 -0.444 25439 6455 1 9 . 1 1 89 89 LYS CB C 89 32.848 32.848 32.588 0.260 25439 6456 1 9 . 1 1 89 89 LYS H H 89 8.467 8.467 8.717 -0.250 25439 6457 1 9 . 1 1 90 90 LEU N N 90 119.899 119.899 120.951 -1.052 25439 6458 1 9 . 1 1 90 90 LEU HA H 90 4.023 4.023 4.076 -0.053 25439 6459 1 9 . 1 1 90 90 LEU CA C 90 57.049 57.049 57.852 -0.803 25439 6460 1 9 . 1 1 90 90 LEU CB C 90 41.099 41.099 41.593 -0.494 25439 6461 1 9 . 1 1 90 90 LEU H H 90 8.076 8.076 7.869 0.207 25439 6462 1 9 . 1 1 91 91 LEU N N 91 123.148 123.148 120.320 2.828 25439 6463 1 9 . 1 1 91 91 LEU HA H 91 3.498 3.498 3.787 -0.289 25439 6464 1 9 . 1 1 91 91 LEU CA C 91 56.971 56.971 57.609 -0.638 25439 6465 1 9 . 1 1 91 91 LEU CB C 91 41.823 41.823 41.756 0.067 25439 6466 1 9 . 1 1 91 91 LEU H H 91 7.120 7.120 8.922 -1.802 25439 6467 1 9 . 1 1 92 92 ILE N N 92 116.780 116.780 118.872 -2.092 25439 6468 1 9 . 1 1 92 92 ILE HA H 92 3.265 3.265 3.901 -0.636 25439 6469 1 9 . 1 1 92 92 ILE CA C 92 65.178 65.178 65.489 -0.311 25439 6470 1 9 . 1 1 92 92 ILE CB C 92 38.209 38.209 37.827 0.383 25439 6471 1 9 . 1 1 92 92 ILE H H 92 7.384 7.384 8.320 -0.936 25439 6472 1 9 . 1 1 93 93 ALA N N 93 117.061 117.061 122.274 -5.213 25439 6473 1 9 . 1 1 93 93 ALA HA H 93 3.930 3.930 4.059 -0.129 25439 6474 1 9 . 1 1 93 93 ALA CA C 93 54.839 54.839 55.499 -0.660 25439 6475 1 9 . 1 1 93 93 ALA CB C 93 18.125 18.125 18.161 -0.036 25439 6476 1 9 . 1 1 93 93 ALA H H 93 7.437 7.437 8.440 -1.003 25439 6477 1 9 . 1 1 94 94 LYS N N 94 116.036 116.036 118.767 -2.731 25439 6478 1 9 . 1 1 94 94 LYS HA H 94 3.803 3.803 3.524 0.279 25439 6479 1 9 . 1 1 94 94 LYS CA C 94 56.945 56.945 58.462 -1.518 25439 6480 1 9 . 1 1 94 94 LYS CB C 94 31.047 31.047 31.526 -0.479 25439 6481 1 9 . 1 1 94 94 LYS H H 94 7.012 7.012 7.387 -0.375 25439 6482 1 9 . 1 1 95 95 TRP N N 95 118.700 118.700 116.587 2.113 25439 6483 1 9 . 1 1 95 95 TRP HA H 95 4.814 4.814 4.514 0.300 25439 6484 1 9 . 1 1 95 95 TRP CA C 95 57.136 57.136 59.356 -2.220 25439 6485 1 9 . 1 1 95 95 TRP CB C 95 28.171 28.171 29.129 -0.958 25439 6486 1 9 . 1 1 95 95 TRP H H 95 7.611 7.611 7.531 0.080 25439 6487 1 9 . 1 1 96 96 ARG N N 96 113.031 113.031 116.448 -3.417 25439 6488 1 9 . 1 1 96 96 ARG HA H 96 4.233 4.233 4.275 -0.042 25439 6489 1 9 . 1 1 96 96 ARG CA C 96 56.234 56.234 57.886 -1.651 25439 6490 1 9 . 1 1 96 96 ARG CB C 96 30.245 30.245 30.674 -0.429 25439 6491 1 9 . 1 1 96 96 ARG H H 96 7.066 7.066 7.498 -0.432 25439 6492 1 9 . 1 1 97 97 LYS N N 97 123.252 123.252 119.407 3.845 25439 6493 1 9 . 1 1 97 97 LYS HA H 97 4.634 4.634 4.283 0.351 25439 6494 1 9 . 1 1 97 97 LYS CA C 97 54.937 54.937 57.039 -2.103 25439 6495 1 9 . 1 1 97 97 LYS CB C 97 34.166 34.166 32.853 1.313 25439 6496 1 9 . 1 1 97 97 LYS H H 97 8.467 8.467 8.254 0.213 25439 6497 1 9 . 1 1 98 98 THR N N 98 119.993 119.993 112.119 7.874 25439 6498 1 9 . 1 1 98 98 THR HA H 98 4.224 4.224 4.437 -0.213 25439 6499 1 9 . 1 1 98 98 THR CA C 98 64.670 64.670 61.971 2.699 25439 6500 1 9 . 1 1 98 98 THR CB C 98 69.200 69.200 69.445 -0.245 25439 6501 1 9 . 1 1 98 98 THR H H 98 8.329 8.329 8.215 0.114 25439 6502 1 9 . 1 1 99 99 GLY N N 99 116.645 116.645 113.107 3.538 25439 6503 1 9 . 1 1 99 99 GLY CA C 99 45.047 45.047 44.727 0.320 25439 6504 1 9 . 1 1 99 99 GLY H H 99 9.273 9.273 8.725 0.548 25439 6505 1 9 . 1 1 100 100 TYR N N 100 120.784 120.784 119.926 0.858 25439 6506 1 9 . 1 1 100 100 TYR HA H 100 4.704 4.704 4.777 -0.073 25439 6507 1 9 . 1 1 100 100 TYR CA C 100 57.697 57.697 55.974 1.723 25439 6508 1 9 . 1 1 100 100 TYR CB C 100 39.413 39.413 37.311 2.102 25439 6509 1 9 . 1 1 100 100 TYR H H 100 8.457 8.457 8.114 0.343 25439 6510 1 9 . 1 1 101 101 GLU N N 101 119.482 119.482 122.343 -2.861 25439 6511 1 9 . 1 1 101 101 GLU HA H 101 4.601 4.601 4.501 0.100 25439 6512 1 9 . 1 1 101 101 GLU CA C 101 61.207 61.207 57.212 3.995 25439 6513 1 9 . 1 1 101 101 GLU CB C 101 29.648 29.648 30.522 -0.874 25439 6514 1 9 . 1 1 101 101 GLU H H 101 9.836 9.836 8.630 1.206 25439 6515 1 9 . 1 1 102 102 LYS N N 102 115.179 115.179 121.209 -6.030 25439 6516 1 9 . 1 1 102 102 LYS HA H 102 4.295 4.295 4.662 -0.367 25439 6517 1 9 . 1 1 102 102 LYS CA C 102 54.207 54.207 55.350 -1.143 25439 6518 1 9 . 1 1 102 102 LYS CB C 102 32.489 32.489 32.424 0.065 25439 6519 1 9 . 1 1 102 102 LYS H H 102 8.291 8.291 7.774 0.517 25439 6520 1 9 . 1 1 103 103 LEU N N 103 119.637 119.637 118.689 0.948 25439 6521 1 9 . 1 1 103 103 LEU HA H 103 4.385 4.385 5.009 -0.624 25439 6522 1 9 . 1 1 103 103 LEU CA C 103 56.549 56.549 53.982 2.567 25439 6523 1 9 . 1 1 103 103 LEU CB C 103 43.864 43.864 44.415 -0.551 25439 6524 1 9 . 1 1 103 103 LEU H H 103 7.642 7.642 8.004 -0.362 25439 6525 1 9 . 1 1 104 104 CYS N N 104 129.651 129.651 117.230 12.421 25439 6526 1 9 . 1 1 104 104 CYS HA H 104 4.498 4.498 5.101 -0.603 25439 6527 1 9 . 1 1 104 104 CYS CA C 104 58.076 58.076 58.486 -0.410 25439 6528 1 9 . 1 1 104 104 CYS CB C 104 32.301 32.301 28.302 3.998 25439 6529 1 9 . 1 1 104 104 CYS H H 104 8.638 8.638 8.882 -0.244 25439 6530 1 9 . 1 1 105 105 CYS N N 105 120.206 120.206 117.578 2.628 25439 6531 1 9 . 1 1 105 105 CYS HA H 105 4.806 4.806 4.821 -0.015 25439 6532 1 9 . 1 1 105 105 CYS CA C 105 58.271 58.271 56.991 1.280 25439 6533 1 9 . 1 1 105 105 CYS CB C 105 32.062 32.062 30.378 1.684 25439 6534 1 9 . 1 1 105 105 CYS H H 105 8.158 8.158 7.838 0.320 25439 6535 1 9 . 1 1 106 106 LEU N N 106 115.513 115.513 120.805 -5.292 25439 6536 1 9 . 1 1 106 106 LEU HA H 106 4.054 4.054 4.296 -0.242 25439 6537 1 9 . 1 1 106 106 LEU CA C 106 56.110 56.110 56.741 -0.631 25439 6538 1 9 . 1 1 106 106 LEU CB C 106 41.227 41.227 42.570 -1.343 25439 6539 1 9 . 1 1 106 106 LEU H H 106 8.466 8.466 8.446 0.020 25439 6540 1 9 . 1 1 107 107 ARG N N 107 122.711 122.711 118.723 3.988 25439 6541 1 9 . 1 1 107 107 ARG HA H 107 3.993 3.993 4.519 -0.526 25439 6542 1 9 . 1 1 107 107 ARG CA C 107 58.311 58.311 56.178 2.133 25439 6543 1 9 . 1 1 107 107 ARG CB C 107 28.965 28.965 29.051 -0.086 25439 6544 1 9 . 1 1 107 107 ARG H H 107 8.131 8.131 8.189 -0.058 25439 6545 1 9 . 1 1 108 108 CYS N N 108 119.055 119.055 116.366 2.689 25439 6546 1 9 . 1 1 108 108 CYS HA H 108 4.101 4.101 4.702 -0.601 25439 6547 1 9 . 1 1 108 108 CYS CA C 108 63.936 63.936 59.491 4.445 25439 6548 1 9 . 1 1 108 108 CYS CB C 108 30.934 30.934 29.046 1.888 25439 6549 1 9 . 1 1 108 108 CYS H H 108 8.010 8.010 8.146 -0.136 25439 6550 1 9 . 1 1 109 109 ILE N N 109 107.315 107.315 116.179 -8.864 25439 6551 1 9 . 1 1 109 109 ILE HA H 109 4.684 4.684 3.974 0.710 25439 6552 1 9 . 1 1 109 109 ILE CA C 109 60.483 60.483 63.241 -2.758 25439 6553 1 9 . 1 1 109 109 ILE CB C 109 38.320 38.320 38.160 0.160 25439 6554 1 9 . 1 1 109 109 ILE H H 109 7.105 7.105 7.884 -0.779 25439 6555 1 9 . 1 1 110 110 GLN N N 110 122.468 122.468 117.565 4.903 25439 6556 1 9 . 1 1 110 110 GLN HA H 110 4.268 4.268 4.508 -0.240 25439 6557 1 9 . 1 1 110 110 GLN CA C 110 55.981 55.981 54.866 1.115 25439 6558 1 9 . 1 1 110 110 GLN CB C 110 29.656 29.656 31.920 -2.264 25439 6559 1 9 . 1 1 110 110 GLN H H 110 7.156 7.156 7.527 -0.371 25439 6560 1 9 . 1 1 111 111 LYS N N 111 124.650 124.650 123.303 1.347 25439 6561 1 9 . 1 1 111 111 LYS HA H 111 4.246 4.246 4.387 -0.141 25439 6562 1 9 . 1 1 111 111 LYS CA C 111 56.546 56.546 56.154 0.392 25439 6563 1 9 . 1 1 111 111 LYS CB C 111 32.846 32.846 33.575 -0.729 25439 6564 1 9 . 1 1 111 111 LYS H H 111 8.522 8.522 8.681 -0.159 25439 6565 1 9 . 1 1 112 112 ASN N N 112 120.972 120.972 117.214 3.758 25439 6566 1 9 . 1 1 112 112 ASN HA H 112 4.778 4.778 4.925 -0.147 25439 6567 1 9 . 1 1 112 112 ASN CA C 112 52.902 52.902 52.525 0.377 25439 6568 1 9 . 1 1 112 112 ASN CB C 112 39.328 39.328 40.339 -1.011 25439 6569 1 9 . 1 1 112 112 ASN H H 112 8.360 8.360 8.411 -0.051 25439 6570 1 9 . 1 1 113 113 GLU N N 113 121.710 121.710 119.227 2.483 25439 6571 1 9 . 1 1 113 113 GLU HA H 113 4.248 4.248 4.019 0.229 25439 6572 1 9 . 1 1 113 113 GLU CA C 113 58.611 58.611 57.396 1.215 25439 6573 1 9 . 1 1 113 113 GLU CB C 113 29.590 29.590 29.833 -0.243 25439 6574 1 9 . 1 1 113 113 GLU H H 113 9.023 9.023 8.660 0.363 25439 6575 1 9 . 1 1 114 114 THR N N 114 112.186 112.186 117.118 -4.932 25439 6576 1 9 . 1 1 114 114 THR HA H 114 4.321 4.321 4.560 -0.239 25439 6577 1 9 . 1 1 114 114 THR CA C 114 63.161 63.161 62.188 0.973 25439 6578 1 9 . 1 1 114 114 THR CB C 114 69.481 69.481 68.109 1.372 25439 6579 1 9 . 1 1 114 114 THR H H 114 8.112 8.112 8.396 -0.284 25439 6580 1 9 . 1 1 115 115 ASN N N 115 119.112 119.112 122.183 -3.071 25439 6581 1 9 . 1 1 115 115 ASN HA H 115 4.829 4.829 4.932 -0.103 25439 6582 1 9 . 1 1 115 115 ASN CA C 115 53.110 53.110 52.355 0.755 25439 6583 1 9 . 1 1 115 115 ASN CB C 115 38.659 38.659 41.023 -2.364 25439 6584 1 9 . 1 1 115 115 ASN H H 115 8.047 8.047 8.114 -0.067 25439 6585 1 9 . 1 1 116 116 ASN N N 116 117.175 117.175 117.838 -0.663 25439 6586 1 9 . 1 1 116 116 ASN HA H 116 4.615 4.615 4.961 -0.346 25439 6587 1 9 . 1 1 116 116 ASN CA C 116 53.965 53.965 53.034 0.931 25439 6588 1 9 . 1 1 116 116 ASN CB C 116 38.173 38.173 39.129 -0.956 25439 6589 1 9 . 1 1 116 116 ASN H H 116 8.364 8.364 8.763 -0.399 25439 6590 1 9 . 1 1 117 117 GLY N N 117 107.294 107.294 110.647 -3.353 25439 6591 1 9 . 1 1 117 117 GLY CA C 117 45.882 45.882 45.797 0.085 25439 6592 1 9 . 1 1 117 117 GLY H H 117 8.264 8.264 8.602 -0.338 25439 6593 1 9 . 1 1 118 118 SER N N 118 115.475 115.475 119.716 -4.241 25439 6594 1 9 . 1 1 118 118 SER HA H 118 4.586 4.586 4.819 -0.233 25439 6595 1 9 . 1 1 118 118 SER CA C 118 57.974 57.974 57.698 0.276 25439 6596 1 9 . 1 1 118 118 SER CB C 118 64.479 64.479 64.276 0.203 25439 6597 1 9 . 1 1 118 118 SER H H 118 7.905 7.905 8.219 -0.314 25439 6598 1 9 . 1 1 119 119 THR N N 119 111.360 111.360 116.387 -5.027 25439 6599 1 9 . 1 1 119 119 THR HA H 119 4.450 4.450 4.560 -0.110 25439 6600 1 9 . 1 1 119 119 THR CA C 119 61.215 61.215 61.079 0.136 25439 6601 1 9 . 1 1 119 119 THR CB C 119 70.569 70.569 71.004 -0.435 25439 6602 1 9 . 1 1 119 119 THR H H 119 8.044 8.044 8.112 -0.068 25439 6603 1 9 . 1 1 120 120 CYS N N 120 122.708 122.708 122.003 0.705 25439 6604 1 9 . 1 1 120 120 CYS HA H 120 4.255 4.255 4.505 -0.250 25439 6605 1 9 . 1 1 120 120 CYS CA C 120 61.469 61.469 59.600 1.869 25439 6606 1 9 . 1 1 120 120 CYS CB C 120 30.892 30.892 28.353 2.539 25439 6607 1 9 . 1 1 120 120 CYS H H 120 8.045 8.045 8.362 -0.317 25439 6608 1 9 . 1 1 121 121 ILE N N 121 132.463 132.463 124.085 8.378 25439 6609 1 9 . 1 1 121 121 ILE HA H 121 4.025 4.025 3.826 0.199 25439 6610 1 9 . 1 1 121 121 ILE CA C 121 63.353 63.353 63.050 0.303 25439 6611 1 9 . 1 1 121 121 ILE CB C 121 38.222 38.222 37.634 0.588 25439 6612 1 9 . 1 1 121 121 ILE H H 121 8.237 8.237 8.559 -0.322 25439 6613 1 9 . 1 1 122 122 CYS N N 122 123.931 123.931 118.109 5.822 25439 6614 1 9 . 1 1 122 122 CYS HA H 122 4.233 4.233 3.804 0.429 25439 6615 1 9 . 1 1 122 122 CYS CA C 122 60.230 60.230 60.488 -0.258 25439 6616 1 9 . 1 1 122 122 CYS CB C 122 30.602 30.602 25.774 4.828 25439 6617 1 9 . 1 1 122 122 CYS H H 122 9.355 9.355 7.500 1.855 25439 6618 1 9 . 1 1 123 123 ARG N N 123 119.561 119.561 120.626 -1.065 25439 6619 1 9 . 1 1 123 123 ARG HA H 123 4.150 4.150 4.291 -0.141 25439 6620 1 9 . 1 1 123 123 ARG CA C 123 53.177 53.177 58.227 -5.050 25439 6621 1 9 . 1 1 123 123 ARG CB C 123 27.961 27.961 30.254 -2.293 25439 6622 1 9 . 1 1 123 123 ARG H H 123 7.677 7.677 7.916 -0.239 25439 6623 1 9 . 1 1 124 124 VAL N N 124 122.794 122.794 121.248 1.546 25439 6624 1 9 . 1 1 124 124 VAL HA H 124 4.081 4.081 4.145 -0.064 25439 6625 1 9 . 1 1 124 124 VAL CA C 124 60.647 60.647 59.585 1.062 25439 6626 1 9 . 1 1 124 124 VAL CB C 124 32.857 32.857 30.783 2.074 25439 6627 1 9 . 1 1 124 124 VAL H H 124 7.578 7.578 7.310 0.268 25439 6628 1 9 . 1 1 125 125 PRO HA H 125 4.263 4.263 4.493 -0.230 25439 6629 1 9 . 1 1 125 125 PRO CA C 125 63.268 63.268 62.208 1.060 25439 6630 1 9 . 1 1 125 125 PRO CB C 125 32.379 32.379 32.941 -0.562 25439 6631 1 9 . 1 1 126 126 ARG N N 126 128.350 128.350 119.273 9.077 25439 6632 1 9 . 1 1 126 126 ARG HA H 126 3.912 3.912 4.046 -0.134 25439 6633 1 9 . 1 1 126 126 ARG CA C 126 59.653 59.653 59.809 -0.156 25439 6634 1 9 . 1 1 126 126 ARG CB C 126 29.339 29.339 29.847 -0.508 25439 6635 1 9 . 1 1 126 126 ARG H H 126 9.534 9.534 8.934 0.600 25439 6636 1 9 . 1 1 127 127 ALA N N 127 119.169 119.169 121.545 -2.376 25439 6637 1 9 . 1 1 127 127 ALA HA H 127 4.192 4.192 4.059 0.133 25439 6638 1 9 . 1 1 127 127 ALA CA C 127 55.227 55.227 55.170 0.057 25439 6639 1 9 . 1 1 127 127 ALA CB C 127 18.363 18.363 17.901 0.462 25439 6640 1 9 . 1 1 127 127 ALA H H 127 9.263 9.263 8.455 0.808 25439 6641 1 9 . 1 1 128 128 GLN N N 128 117.345 117.345 118.037 -0.692 25439 6642 1 9 . 1 1 128 128 GLN HA H 128 4.209 4.209 4.131 0.078 25439 6643 1 9 . 1 1 128 128 GLN CA C 128 58.506 58.506 58.828 -0.322 25439 6644 1 9 . 1 1 128 128 GLN CB C 128 28.220 28.220 28.300 -0.080 25439 6645 1 9 . 1 1 128 128 GLN H H 128 7.448 7.448 8.315 -0.867 25439 6646 1 9 . 1 1 129 129 LEU N N 129 120.561 120.561 120.607 -0.046 25439 6647 1 9 . 1 1 129 129 LEU HA H 129 4.088 4.088 3.966 0.122 25439 6648 1 9 . 1 1 129 129 LEU CA C 129 57.952 57.952 57.966 -0.014 25439 6649 1 9 . 1 1 129 129 LEU CB C 129 41.817 41.817 41.990 -0.173 25439 6650 1 9 . 1 1 129 129 LEU H H 129 7.622 7.622 7.548 0.074 25439 6651 1 9 . 1 1 130 130 GLU N N 130 119.122 119.122 118.869 0.253 25439 6652 1 9 . 1 1 130 130 GLU HA H 130 3.956 3.956 3.909 0.047 25439 6653 1 9 . 1 1 130 130 GLU CA C 130 59.353 59.353 59.930 -0.577 25439 6654 1 9 . 1 1 130 130 GLU CB C 130 29.337 29.337 29.323 0.014 25439 6655 1 9 . 1 1 130 130 GLU H H 130 8.656 8.656 8.721 -0.065 25439 6656 1 9 . 1 1 131 131 GLU N N 131 121.469 121.469 118.960 2.509 25439 6657 1 9 . 1 1 131 131 GLU HA H 131 4.163 4.163 3.999 0.164 25439 6658 1 9 . 1 1 131 131 GLU CA C 131 59.288 59.288 59.664 -0.376 25439 6659 1 9 . 1 1 131 131 GLU CB C 131 29.422 29.422 29.558 -0.136 25439 6660 1 9 . 1 1 131 131 GLU H H 131 7.922 7.922 7.816 0.106 25439 6661 1 9 . 1 1 132 132 GLU N N 132 119.241 119.241 119.462 -0.221 25439 6662 1 9 . 1 1 132 132 GLU HA H 132 3.998 3.998 4.057 -0.059 25439 6663 1 9 . 1 1 132 132 GLU CA C 132 59.327 59.327 59.185 0.142 25439 6664 1 9 . 1 1 132 132 GLU CB C 132 29.421 29.421 29.447 -0.026 25439 6665 1 9 . 1 1 132 132 GLU H H 132 8.099 8.099 7.517 0.582 25439 6666 1 9 . 1 1 133 133 ALA N N 133 121.302 121.302 121.530 -0.228 25439 6667 1 9 . 1 1 133 133 ALA HA H 133 4.053 4.053 4.062 -0.009 25439 6668 1 9 . 1 1 133 133 ALA CA C 133 54.973 54.973 55.119 -0.146 25439 6669 1 9 . 1 1 133 133 ALA CB C 133 18.154 18.154 18.208 -0.054 25439 6670 1 9 . 1 1 133 133 ALA H H 133 7.795 7.795 7.527 0.268 25439 6671 1 9 . 1 1 134 134 ARG N N 134 118.757 118.757 117.775 0.982 25439 6672 1 9 . 1 1 134 134 ARG HA H 134 4.143 4.143 4.027 0.116 25439 6673 1 9 . 1 1 134 134 ARG CA C 134 59.438 59.438 59.434 0.004 25439 6674 1 9 . 1 1 134 134 ARG CB C 134 30.148 30.148 30.076 0.073 25439 6675 1 9 . 1 1 134 134 ARG H H 134 8.145 8.145 8.062 0.083 25439 6676 1 9 . 1 1 135 135 LYS N N 135 119.496 119.496 119.473 0.023 25439 6677 1 9 . 1 1 135 135 LYS HA H 135 4.073 4.073 4.162 -0.089 25439 6678 1 9 . 1 1 135 135 LYS CA C 135 59.327 59.327 58.796 0.531 25439 6679 1 9 . 1 1 135 135 LYS CB C 135 32.539 32.539 32.434 0.105 25439 6680 1 9 . 1 1 135 135 LYS H H 135 8.036 8.036 7.582 0.454 25439 6681 1 9 . 1 1 136 136 LYS N N 136 116.645 116.645 118.016 -1.371 25439 6682 1 9 . 1 1 136 136 LYS HA H 136 4.362 4.362 4.401 -0.039 25439 6683 1 9 . 1 1 136 136 LYS CA C 136 56.575 56.575 55.374 1.201 25439 6684 1 9 . 1 1 136 136 LYS CB C 136 33.629 33.629 32.647 0.982 25439 6685 1 9 . 1 1 136 136 LYS H H 136 7.682 7.682 7.450 0.232 25439 6686 1 9 . 1 1 137 137 GLY N N 137 109.349 109.349 109.597 -0.248 25439 6687 1 9 . 1 1 137 137 GLY CA C 137 46.358 46.358 46.330 0.028 25439 6688 1 9 . 1 1 137 137 GLY H H 137 8.064 8.064 7.718 0.346 25439 6689 1 9 . 1 1 138 138 THR N N 138 112.870 112.870 113.599 -0.729 25439 6690 1 9 . 1 1 138 138 THR HA H 138 4.735 4.735 4.620 0.115 25439 6691 1 9 . 1 1 138 138 THR CA C 138 59.308 59.308 60.493 -1.185 25439 6692 1 9 . 1 1 138 138 THR CB C 138 70.755 70.755 70.928 -0.173 25439 6693 1 9 . 1 1 138 138 THR H H 138 8.111 8.111 8.091 0.020 25439 6694 1 9 . 1 1 139 139 GLN N N 139 118.177 118.177 120.678 -2.501 25439 6695 1 9 . 1 1 139 139 GLN HA H 139 4.609 4.609 4.615 -0.006 25439 6696 1 9 . 1 1 139 139 GLN CA C 139 54.435 54.435 55.175 -0.740 25439 6697 1 9 . 1 1 139 139 GLN CB C 139 30.777 30.777 30.946 -0.169 25439 6698 1 9 . 1 1 139 139 GLN H H 139 8.227 8.227 8.340 -0.113 25439 6699 1 9 . 1 1 140 140 VAL N N 140 123.601 123.601 120.993 2.608 25439 6700 1 9 . 1 1 140 140 VAL HA H 140 3.790 3.790 4.465 -0.675 25439 6701 1 9 . 1 1 140 140 VAL CA C 140 63.934 63.934 61.406 2.528 25439 6702 1 9 . 1 1 140 140 VAL CB C 140 32.154 32.154 34.129 -1.974 25439 6703 1 9 . 1 1 140 140 VAL H H 140 8.839 8.839 8.026 0.813 25439 6704 1 9 . 1 1 141 141 SER HA H 141 4.524 4.524 4.684 -0.160 25439 6705 1 9 . 1 1 141 141 SER CA C 141 57.841 57.841 58.548 -0.707 25439 6706 1 9 . 1 1 141 141 SER CB C 141 64.174 64.174 63.826 0.348 25439 6707 1 9 . 1 1 142 142 PHE N N 142 123.726 123.726 126.630 -2.904 25439 6708 1 9 . 1 1 142 142 PHE HA H 142 4.458 4.458 4.854 -0.396 25439 6709 1 9 . 1 1 142 142 PHE CA C 142 58.673 58.673 57.790 0.883 25439 6710 1 9 . 1 1 142 142 PHE CB C 142 40.055 40.055 41.579 -1.524 25439 6711 1 9 . 1 1 142 142 PHE H H 142 7.534 7.534 8.353 -0.819 25439 6712 1 9 . 1 1 143 143 HIS N N 143 126.548 126.548 119.451 7.097 25439 6713 1 9 . 1 1 143 143 HIS HA H 143 4.336 4.336 4.448 -0.112 25439 6714 1 9 . 1 1 143 143 HIS CA C 143 56.837 56.837 56.282 0.555 25439 6715 1 9 . 1 1 143 143 HIS CB C 143 31.949 31.949 32.185 -0.236 25439 6716 1 9 . 1 1 143 143 HIS H H 143 8.308 8.308 7.324 0.984 25439 6717 1 9 . 1 1 144 144 GLN N N 144 115.094 115.094 116.347 -1.253 25439 6718 1 9 . 1 1 144 144 GLN HA H 144 4.433 4.433 4.418 0.015 25439 6719 1 9 . 1 1 144 144 GLN CA C 144 54.210 54.210 53.235 0.975 25439 6720 1 9 . 1 1 144 144 GLN CB C 144 32.925 32.925 32.017 0.908 25439 6721 1 9 . 1 1 144 144 GLN H H 144 7.203 7.203 6.944 0.259 25439 6722 1 9 . 1 1 145 145 CYS N N 145 123.088 123.088 118.737 4.351 25439 6723 1 9 . 1 1 145 145 CYS HA H 145 4.961 4.961 4.951 0.010 25439 6724 1 9 . 1 1 145 145 CYS CA C 145 57.978 57.978 57.230 0.748 25439 6725 1 9 . 1 1 145 145 CYS CB C 145 33.555 33.555 29.794 3.761 25439 6726 1 9 . 1 1 145 145 CYS H H 145 8.668 8.668 8.577 0.091 25439 6727 1 9 . 1 1 146 146 VAL N N 146 113.265 113.265 121.129 -7.864 25439 6728 1 9 . 1 1 146 146 VAL HA H 146 4.238 4.238 4.259 -0.021 25439 6729 1 9 . 1 1 146 146 VAL CA C 146 64.001 64.001 64.599 -0.598 25439 6730 1 9 . 1 1 146 146 VAL CB C 146 32.157 32.157 32.216 -0.059 25439 6731 1 9 . 1 1 146 146 VAL H H 146 8.198 8.198 8.485 -0.287 25439 6732 1 9 . 1 1 147 147 HIS N N 147 120.556 120.556 118.832 1.724 25439 6733 1 9 . 1 1 147 147 HIS HA H 147 4.604 4.604 4.361 0.243 25439 6734 1 9 . 1 1 147 147 HIS CA C 147 58.708 58.708 58.488 0.220 25439 6735 1 9 . 1 1 147 147 HIS CB C 147 32.204 32.204 29.182 3.022 25439 6736 1 9 . 1 1 147 147 HIS H H 147 7.151 7.151 8.406 -1.255 25439 6737 1 9 . 1 1 148 148 CYS N N 148 112.110 112.110 112.251 -0.141 25439 6738 1 9 . 1 1 148 148 CYS HA H 148 4.889 4.889 4.852 0.037 25439 6739 1 9 . 1 1 148 148 CYS CA C 148 57.952 57.952 55.543 2.409 25439 6740 1 9 . 1 1 148 148 CYS CB C 148 32.956 32.956 30.291 2.665 25439 6741 1 9 . 1 1 148 148 CYS H H 148 7.413 7.413 7.283 0.130 25439 6742 1 9 . 1 1 149 149 GLY N N 149 112.797 112.797 108.202 4.595 25439 6743 1 9 . 1 1 149 149 GLY CA C 149 45.327 45.327 44.343 0.984 25439 6744 1 9 . 1 1 149 149 GLY H H 149 6.949 6.949 8.299 -1.350 25439 6745 1 9 . 1 1 150 150 CYS N N 150 127.277 127.277 120.248 7.029 25439 6746 1 9 . 1 1 150 150 CYS HA H 150 3.932 3.932 4.543 -0.611 25439 6747 1 9 . 1 1 150 150 CYS CA C 150 61.362 61.362 57.191 4.171 25439 6748 1 9 . 1 1 150 150 CYS CB C 150 30.632 30.632 29.635 0.997 25439 6749 1 9 . 1 1 150 150 CYS H H 150 8.240 8.240 7.137 1.103 25439 6750 1 9 . 1 1 151 151 ARG N N 151 125.476 125.476 127.071 -1.595 25439 6751 1 9 . 1 1 151 151 ARG HA H 151 4.775 4.775 4.296 0.479 25439 6752 1 9 . 1 1 151 151 ARG CA C 151 56.164 56.164 55.360 0.804 25439 6753 1 9 . 1 1 151 151 ARG CB C 151 30.354 30.354 29.727 0.627 25439 6754 1 9 . 1 1 151 151 ARG H H 151 8.492 8.492 8.658 -0.166 25439 6755 1 9 . 1 1 152 152 GLY N N 152 117.275 117.275 108.377 8.898 25439 6756 1 9 . 1 1 152 152 GLY CA C 152 45.523 45.523 45.135 0.388 25439 6757 1 9 . 1 1 152 152 GLY H H 152 9.812 9.812 7.849 1.963 25439 6758 1 9 . 1 1 153 153 CYS N N 153 126.187 126.187 118.887 7.300 25439 6759 1 9 . 1 1 153 153 CYS HA H 153 4.842 4.842 4.819 0.023 25439 6760 1 9 . 1 1 153 153 CYS CA C 153 57.130 57.130 55.875 1.255 25439 6761 1 9 . 1 1 153 153 CYS CB C 153 31.368 31.368 27.947 3.421 25439 6762 1 9 . 1 1 153 153 CYS H H 153 8.930 8.930 8.265 0.665 25439 6763 1 9 . 1 1 154 154 ALA N N 154 125.869 125.869 126.346 -0.477 25439 6764 1 9 . 1 1 154 154 ALA HA H 154 4.159 4.159 4.749 -0.590 25439 6765 1 9 . 1 1 154 154 ALA CA C 154 53.187 53.187 51.667 1.520 25439 6766 1 9 . 1 1 154 154 ALA CB C 154 18.937 18.937 21.158 -2.221 25439 6767 1 9 . 1 1 154 154 ALA H H 154 8.616 8.616 8.311 0.305 25439 6768 1 9 . 1 1 155 155 SER N N 155 116.724 116.724 117.943 -1.219 25439 6769 1 9 . 1 1 155 155 SER HA H 155 4.283 4.283 4.413 -0.130 25439 6770 1 9 . 1 1 155 155 SER CA C 155 60.136 60.136 59.966 0.170 25439 6771 1 9 . 1 1 155 155 SER CB C 155 63.575 63.575 63.849 -0.274 25439 6772 1 9 . 1 1 155 155 SER H H 155 9.358 9.358 8.766 0.592 25439 6773 1 9 . 1 1 156 156 THR N N 156 111.893 111.893 116.181 -4.288 25439 6774 1 9 . 1 1 156 156 THR HA H 156 4.358 4.358 4.100 0.258 25439 6775 1 9 . 1 1 156 156 THR CA C 156 61.264 61.264 64.993 -3.729 25439 6776 1 9 . 1 1 156 156 THR CB C 156 69.999 69.999 69.059 0.940 25439 6777 1 9 . 1 1 156 156 THR H H 156 7.638 7.638 8.192 -0.554 25439 6778 1 10 . 1 1 0 0 GLY CA C 0 43.750 43.750 45.463 -1.713 25439 6779 1 10 . 1 1 1 1 SER N N 1 117.201 117.201 118.218 -1.017 25439 6780 1 10 . 1 1 1 1 SER HA H 1 4.809 4.809 4.857 -0.048 25439 6781 1 10 . 1 1 1 1 SER CA C 1 56.525 56.525 55.434 1.091 25439 6782 1 10 . 1 1 1 1 SER CB C 1 63.385 63.385 63.945 -0.560 25439 6783 1 10 . 1 1 1 1 SER H H 1 8.381 8.381 8.560 -0.179 25439 6784 1 10 . 1 1 2 2 PRO HA H 2 4.468 4.468 4.715 -0.247 25439 6785 1 10 . 1 1 2 2 PRO CA C 2 63.292 63.292 63.261 0.031 25439 6786 1 10 . 1 1 2 2 PRO CB C 2 32.174 32.174 31.414 0.760 25439 6787 1 10 . 1 1 3 3 ARG N N 3 121.649 121.649 121.759 -0.110 25439 6788 1 10 . 1 1 3 3 ARG HA H 3 4.324 4.324 4.649 -0.325 25439 6789 1 10 . 1 1 3 3 ARG CA C 3 56.226 56.226 56.282 -0.056 25439 6790 1 10 . 1 1 3 3 ARG CB C 3 30.732 30.732 32.081 -1.349 25439 6791 1 10 . 1 1 3 3 ARG H H 3 8.428 8.428 8.492 -0.064 25439 6792 1 10 . 1 1 4 4 ILE N N 4 122.500 122.500 116.106 6.394 25439 6793 1 10 . 1 1 4 4 ILE HA H 4 4.181 4.181 4.390 -0.209 25439 6794 1 10 . 1 1 4 4 ILE CA C 4 60.943 60.943 61.038 -0.095 25439 6795 1 10 . 1 1 4 4 ILE CB C 4 38.751 38.751 38.226 0.525 25439 6796 1 10 . 1 1 4 4 ILE H H 4 8.165 8.165 8.217 -0.052 25439 6797 1 10 . 1 1 5 5 LYS N N 5 126.237 126.237 123.456 2.781 25439 6798 1 10 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.647 -0.245 25439 6799 1 10 . 1 1 5 5 LYS CA C 5 56.422 56.422 56.177 0.245 25439 6800 1 10 . 1 1 5 5 LYS CB C 5 33.130 33.130 33.450 -0.320 25439 6801 1 10 . 1 1 5 5 LYS H H 5 8.500 8.500 8.339 0.161 25439 6802 1 10 . 1 1 6 6 THR N N 6 116.495 116.495 116.346 0.149 25439 6803 1 10 . 1 1 6 6 THR HA H 6 4.323 4.323 4.632 -0.309 25439 6804 1 10 . 1 1 6 6 THR CA C 6 61.918 61.918 62.110 -0.192 25439 6805 1 10 . 1 1 6 6 THR CB C 6 69.963 69.963 70.541 -0.578 25439 6806 1 10 . 1 1 6 6 THR H H 6 8.194 8.194 8.281 -0.087 25439 6807 1 10 . 1 1 7 7 ARG N N 7 124.128 124.128 122.222 1.906 25439 6808 1 10 . 1 1 7 7 ARG HA H 7 4.396 4.396 4.590 -0.194 25439 6809 1 10 . 1 1 7 7 ARG CA C 7 56.128 56.128 55.670 0.458 25439 6810 1 10 . 1 1 7 7 ARG CB C 7 30.953 30.953 30.947 0.006 25439 6811 1 10 . 1 1 7 7 ARG H H 7 8.458 8.458 8.597 -0.139 25439 6812 1 10 . 1 1 8 8 ARG N N 8 123.384 123.384 121.862 1.522 25439 6813 1 10 . 1 1 8 8 ARG HA H 8 4.424 4.424 4.082 0.342 25439 6814 1 10 . 1 1 8 8 ARG CA C 8 56.011 56.011 56.824 -0.813 25439 6815 1 10 . 1 1 8 8 ARG CB C 8 31.058 31.058 29.409 1.649 25439 6816 1 10 . 1 1 8 8 ARG H H 8 8.526 8.526 8.742 -0.216 25439 6817 1 10 . 1 1 9 9 SER N N 9 118.446 118.446 115.780 2.666 25439 6818 1 10 . 1 1 9 9 SER HA H 9 4.473 4.473 4.658 -0.185 25439 6819 1 10 . 1 1 9 9 SER CA C 9 58.568 58.568 58.011 0.557 25439 6820 1 10 . 1 1 9 9 SER CB C 9 63.986 63.986 63.622 0.364 25439 6821 1 10 . 1 1 9 9 SER H H 9 8.450 8.450 7.981 0.469 25439 6822 1 10 . 1 1 10 10 LYS N N 10 124.117 124.117 125.502 -1.385 25439 6823 1 10 . 1 1 10 10 LYS HA H 10 4.673 4.673 4.815 -0.142 25439 6824 1 10 . 1 1 10 10 LYS CA C 10 54.412 54.412 53.161 1.250 25439 6825 1 10 . 1 1 10 10 LYS CB C 10 32.693 32.693 33.356 -0.663 25439 6826 1 10 . 1 1 10 10 LYS H H 10 8.426 8.426 8.492 -0.066 25439 6827 1 10 . 1 1 11 11 PRO HA H 11 4.360 4.360 4.482 -0.122 25439 6828 1 10 . 1 1 11 11 PRO CA C 11 62.861 62.861 62.547 0.314 25439 6829 1 10 . 1 1 11 11 PRO CB C 11 32.106 32.106 32.955 -0.849 25439 6830 1 10 . 1 1 12 12 ALA N N 12 124.420 124.420 123.077 1.343 25439 6831 1 10 . 1 1 12 12 ALA HA H 12 2.889 2.889 3.483 -0.594 25439 6832 1 10 . 1 1 12 12 ALA CA C 12 49.735 49.735 48.577 1.158 25439 6833 1 10 . 1 1 12 12 ALA CB C 12 18.066 18.066 17.677 0.389 25439 6834 1 10 . 1 1 12 12 ALA H H 12 7.890 7.890 7.774 0.116 25439 6835 1 10 . 1 1 13 13 PRO HA H 13 4.207 4.207 4.441 -0.234 25439 6836 1 10 . 1 1 13 13 PRO CA C 13 62.111 62.111 61.827 0.284 25439 6837 1 10 . 1 1 13 13 PRO CB C 13 32.582 32.582 32.489 0.093 25439 6838 1 10 . 1 1 14 14 ASP N N 14 119.535 119.535 120.533 -0.998 25439 6839 1 10 . 1 1 14 14 ASP HA H 14 4.379 4.379 4.271 0.108 25439 6840 1 10 . 1 1 14 14 ASP CA C 14 56.427 56.427 56.720 -0.293 25439 6841 1 10 . 1 1 14 14 ASP CB C 14 41.177 41.177 40.633 0.543 25439 6842 1 10 . 1 1 14 14 ASP H H 14 8.206 8.206 8.725 -0.519 25439 6843 1 10 . 1 1 15 15 GLY N N 15 113.273 113.273 107.900 5.373 25439 6844 1 10 . 1 1 15 15 GLY CA C 15 45.146 45.146 47.009 -1.863 25439 6845 1 10 . 1 1 15 15 GLY H H 15 8.723 8.723 8.263 0.460 25439 6846 1 10 . 1 1 16 16 PHE N N 16 123.113 123.113 122.520 0.593 25439 6847 1 10 . 1 1 16 16 PHE HA H 16 4.125 4.125 4.289 -0.164 25439 6848 1 10 . 1 1 16 16 PHE CA C 16 60.715 60.715 59.493 1.222 25439 6849 1 10 . 1 1 16 16 PHE CB C 16 39.639 39.639 39.153 0.486 25439 6850 1 10 . 1 1 16 16 PHE H H 16 8.127 8.127 8.256 -0.129 25439 6851 1 10 . 1 1 17 17 GLU N N 17 115.695 115.695 119.392 -3.697 25439 6852 1 10 . 1 1 17 17 GLU HA H 17 3.768 3.768 3.850 -0.082 25439 6853 1 10 . 1 1 17 17 GLU CA C 17 59.234 59.234 59.510 -0.276 25439 6854 1 10 . 1 1 17 17 GLU CB C 17 28.495 28.495 29.373 -0.878 25439 6855 1 10 . 1 1 17 17 GLU H H 17 9.088 9.088 8.215 0.873 25439 6856 1 10 . 1 1 18 18 LYS N N 18 115.887 115.887 117.400 -1.513 25439 6857 1 10 . 1 1 18 18 LYS HA H 18 4.165 4.165 4.072 0.093 25439 6858 1 10 . 1 1 18 18 LYS CA C 18 58.249 58.249 58.687 -0.438 25439 6859 1 10 . 1 1 18 18 LYS CB C 18 32.725 32.725 32.876 -0.151 25439 6860 1 10 . 1 1 18 18 LYS H H 18 7.285 7.285 7.807 -0.522 25439 6861 1 10 . 1 1 19 19 ILE N N 19 110.277 110.277 111.072 -0.795 25439 6862 1 10 . 1 1 19 19 ILE HA H 19 4.722 4.722 4.665 0.057 25439 6863 1 10 . 1 1 19 19 ILE CA C 19 61.093 61.093 59.949 1.144 25439 6864 1 10 . 1 1 19 19 ILE CB C 19 39.139 39.139 38.183 0.956 25439 6865 1 10 . 1 1 19 19 ILE H H 19 7.031 7.031 7.510 -0.479 25439 6866 1 10 . 1 1 20 20 LYS N N 20 124.540 124.540 122.493 2.047 25439 6867 1 10 . 1 1 20 20 LYS HA H 20 3.603 3.603 3.758 -0.155 25439 6868 1 10 . 1 1 20 20 LYS CA C 20 60.917 60.917 59.818 1.099 25439 6869 1 10 . 1 1 20 20 LYS CB C 20 30.210 30.210 30.341 -0.131 25439 6870 1 10 . 1 1 20 20 LYS H H 20 7.666 7.666 7.405 0.261 25439 6871 1 10 . 1 1 21 21 PRO HA H 21 4.292 4.292 4.580 -0.288 25439 6872 1 10 . 1 1 21 21 PRO CA C 21 66.990 66.990 65.333 1.657 25439 6873 1 10 . 1 1 21 21 PRO CB C 21 30.779 30.779 31.548 -0.769 25439 6874 1 10 . 1 1 22 22 THR N N 22 114.917 114.917 115.220 -0.303 25439 6875 1 10 . 1 1 22 22 THR HA H 22 3.866 3.866 4.050 -0.184 25439 6876 1 10 . 1 1 22 22 THR CA C 22 66.575 66.575 66.546 0.029 25439 6877 1 10 . 1 1 22 22 THR CB C 22 68.731 68.731 68.522 0.209 25439 6878 1 10 . 1 1 22 22 THR H H 22 7.331 7.331 8.342 -1.011 25439 6879 1 10 . 1 1 23 23 LEU N N 23 120.152 120.152 120.084 0.068 25439 6880 1 10 . 1 1 23 23 LEU HA H 23 4.397 4.397 4.006 0.391 25439 6881 1 10 . 1 1 23 23 LEU CA C 23 58.740 58.740 57.449 1.291 25439 6882 1 10 . 1 1 23 23 LEU CB C 23 40.489 40.489 41.719 -1.230 25439 6883 1 10 . 1 1 23 23 LEU H H 23 7.991 7.991 7.524 0.467 25439 6884 1 10 . 1 1 24 24 THR N N 24 119.365 119.365 115.255 4.110 25439 6885 1 10 . 1 1 24 24 THR HA H 24 4.095 4.095 3.982 0.113 25439 6886 1 10 . 1 1 24 24 THR CA C 24 66.834 66.834 66.283 0.551 25439 6887 1 10 . 1 1 24 24 THR CB C 24 68.614 68.614 67.778 0.836 25439 6888 1 10 . 1 1 24 24 THR H H 24 9.175 9.175 7.595 1.580 25439 6889 1 10 . 1 1 25 25 ASP N N 25 122.865 122.865 121.208 1.657 25439 6890 1 10 . 1 1 25 25 ASP HA H 25 4.483 4.483 4.324 0.159 25439 6891 1 10 . 1 1 25 25 ASP CA C 25 58.158 58.158 57.282 0.876 25439 6892 1 10 . 1 1 25 25 ASP CB C 25 40.329 40.329 40.767 -0.438 25439 6893 1 10 . 1 1 25 25 ASP H H 25 7.714 7.714 7.715 -0.001 25439 6894 1 10 . 1 1 26 26 PHE N N 26 116.182 116.182 118.677 -2.495 25439 6895 1 10 . 1 1 26 26 PHE HA H 26 4.457 4.457 4.175 0.282 25439 6896 1 10 . 1 1 26 26 PHE CA C 26 62.531 62.531 61.702 0.829 25439 6897 1 10 . 1 1 26 26 PHE CB C 26 39.468 39.468 38.840 0.628 25439 6898 1 10 . 1 1 26 26 PHE H H 26 7.816 7.816 7.909 -0.093 25439 6899 1 10 . 1 1 27 27 GLU N N 27 120.107 120.107 119.112 0.995 25439 6900 1 10 . 1 1 27 27 GLU HA H 27 4.113 4.113 4.026 0.087 25439 6901 1 10 . 1 1 27 27 GLU CA C 27 59.852 59.852 59.560 0.292 25439 6902 1 10 . 1 1 27 27 GLU CB C 27 29.692 29.692 29.292 0.400 25439 6903 1 10 . 1 1 27 27 GLU H H 27 8.068 8.068 7.938 0.130 25439 6904 1 10 . 1 1 28 28 ILE N N 28 121.494 121.494 119.598 1.896 25439 6905 1 10 . 1 1 28 28 ILE HA H 28 3.718 3.718 3.773 -0.055 25439 6906 1 10 . 1 1 28 28 ILE CA C 28 65.002 65.002 65.089 -0.087 25439 6907 1 10 . 1 1 28 28 ILE CB C 28 38.023 38.023 38.033 -0.010 25439 6908 1 10 . 1 1 28 28 ILE H H 28 8.531 8.531 7.459 1.072 25439 6909 1 10 . 1 1 29 29 GLN N N 29 118.941 118.941 119.828 -0.887 25439 6910 1 10 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.062 0.118 25439 6911 1 10 . 1 1 29 29 GLN CA C 29 59.507 59.507 58.932 0.575 25439 6912 1 10 . 1 1 29 29 GLN CB C 29 29.783 29.783 28.588 1.195 25439 6913 1 10 . 1 1 29 29 GLN H H 29 8.117 8.117 7.538 0.579 25439 6914 1 10 . 1 1 30 30 LEU N N 30 121.724 121.724 120.954 0.770 25439 6915 1 10 . 1 1 30 30 LEU HA H 30 4.032 4.032 3.998 0.034 25439 6916 1 10 . 1 1 30 30 LEU CA C 30 58.333 58.333 58.278 0.055 25439 6917 1 10 . 1 1 30 30 LEU CB C 30 42.339 42.339 41.965 0.374 25439 6918 1 10 . 1 1 30 30 LEU H H 30 8.677 8.677 8.804 -0.127 25439 6919 1 10 . 1 1 31 31 ARG N N 31 120.629 120.629 119.547 1.082 25439 6920 1 10 . 1 1 31 31 ARG HA H 31 4.105 4.105 3.868 0.237 25439 6921 1 10 . 1 1 31 31 ARG CA C 31 59.340 59.340 60.293 -0.953 25439 6922 1 10 . 1 1 31 31 ARG CB C 31 30.044 30.044 29.820 0.224 25439 6923 1 10 . 1 1 31 31 ARG H H 31 8.227 8.227 8.295 -0.068 25439 6924 1 10 . 1 1 32 32 ASP N N 32 120.233 120.233 119.766 0.467 25439 6925 1 10 . 1 1 32 32 ASP HA H 32 4.484 4.484 4.376 0.108 25439 6926 1 10 . 1 1 32 32 ASP CA C 32 57.199 57.199 57.935 -0.736 25439 6927 1 10 . 1 1 32 32 ASP CB C 32 40.202 40.202 40.365 -0.163 25439 6928 1 10 . 1 1 32 32 ASP H H 32 8.407 8.407 7.785 0.622 25439 6929 1 10 . 1 1 33 33 ALA N N 33 121.939 121.939 122.454 -0.515 25439 6930 1 10 . 1 1 33 33 ALA HA H 33 4.321 4.321 3.994 0.327 25439 6931 1 10 . 1 1 33 33 ALA CA C 33 54.207 54.207 55.017 -0.810 25439 6932 1 10 . 1 1 33 33 ALA CB C 33 18.738 18.738 18.348 0.391 25439 6933 1 10 . 1 1 33 33 ALA H H 33 8.057 8.057 7.460 0.597 25439 6934 1 10 . 1 1 34 34 GLN N N 34 114.736 114.736 117.547 -2.811 25439 6935 1 10 . 1 1 34 34 GLN HA H 34 4.248 4.248 4.031 0.217 25439 6936 1 10 . 1 1 34 34 GLN CA C 34 56.567 56.567 59.055 -2.488 25439 6937 1 10 . 1 1 34 34 GLN CB C 34 29.743 29.743 28.630 1.113 25439 6938 1 10 . 1 1 34 34 GLN H H 34 7.746 7.746 8.470 -0.724 25439 6939 1 10 . 1 1 35 35 LYS N N 35 120.534 120.534 118.132 2.402 25439 6940 1 10 . 1 1 35 35 LYS HA H 35 4.232 4.232 4.246 -0.014 25439 6941 1 10 . 1 1 35 35 LYS CA C 35 57.427 57.427 57.552 -0.125 25439 6942 1 10 . 1 1 35 35 LYS CB C 35 32.887 32.887 32.649 0.238 25439 6943 1 10 . 1 1 35 35 LYS H H 35 7.570 7.570 7.858 -0.288 25439 6944 1 10 . 1 1 36 36 ASP N N 36 120.943 120.943 119.849 1.094 25439 6945 1 10 . 1 1 36 36 ASP HA H 36 4.595 4.595 4.425 0.170 25439 6946 1 10 . 1 1 36 36 ASP CA C 36 54.983 54.983 56.716 -1.733 25439 6947 1 10 . 1 1 36 36 ASP CB C 36 41.129 41.129 41.153 -0.023 25439 6948 1 10 . 1 1 36 36 ASP H H 36 8.375 8.375 8.306 0.069 25439 6949 1 10 . 1 1 37 37 LYS N N 37 122.598 122.598 117.658 4.940 25439 6950 1 10 . 1 1 37 37 LYS HA H 37 4.365 4.365 3.996 0.369 25439 6951 1 10 . 1 1 37 37 LYS CA C 37 56.725 56.725 58.308 -1.583 25439 6952 1 10 . 1 1 37 37 LYS CB C 37 32.823 32.823 32.952 -0.129 25439 6953 1 10 . 1 1 37 37 LYS H H 37 8.446 8.446 7.734 0.712 25439 6954 1 10 . 1 1 38 38 SER N N 38 115.849 115.849 112.097 3.752 25439 6955 1 10 . 1 1 38 38 SER HA H 38 4.423 4.423 4.153 0.270 25439 6956 1 10 . 1 1 38 38 SER CA C 38 59.193 59.193 58.854 0.339 25439 6957 1 10 . 1 1 38 38 SER CB C 38 63.744 63.744 63.192 0.552 25439 6958 1 10 . 1 1 38 38 SER H H 38 8.392 8.392 8.028 0.364 25439 6959 1 10 . 1 1 39 39 SER N N 39 117.258 117.258 116.600 0.658 25439 6960 1 10 . 1 1 39 39 SER HA H 39 4.445 4.445 4.614 -0.169 25439 6961 1 10 . 1 1 39 39 SER CA C 39 58.933 58.933 59.551 -0.618 25439 6962 1 10 . 1 1 39 39 SER CB C 39 63.711 63.711 63.853 -0.142 25439 6963 1 10 . 1 1 39 39 SER H H 39 8.283 8.283 8.424 -0.141 25439 6964 1 10 . 1 1 40 40 LYS N N 40 122.427 122.427 120.569 1.858 25439 6965 1 10 . 1 1 40 40 LYS HA H 40 4.321 4.321 4.524 -0.203 25439 6966 1 10 . 1 1 40 40 LYS CA C 40 56.847 56.847 56.460 0.387 25439 6967 1 10 . 1 1 40 40 LYS CB C 40 32.764 32.764 32.334 0.430 25439 6968 1 10 . 1 1 40 40 LYS H H 40 8.263 8.263 8.385 -0.122 25439 6969 1 10 . 1 1 41 41 LEU N N 41 121.281 121.281 119.450 1.831 25439 6970 1 10 . 1 1 41 41 LEU HA H 41 4.308 4.308 4.468 -0.160 25439 6971 1 10 . 1 1 41 41 LEU CA C 41 55.335 55.335 55.856 -0.521 25439 6972 1 10 . 1 1 41 41 LEU CB C 41 42.212 42.212 43.088 -0.876 25439 6973 1 10 . 1 1 41 41 LEU H H 41 8.068 8.068 8.420 -0.352 25439 6974 1 10 . 1 1 42 42 ALA N N 42 123.964 123.964 121.769 2.195 25439 6975 1 10 . 1 1 42 42 ALA HA H 42 4.274 4.274 4.607 -0.333 25439 6976 1 10 . 1 1 42 42 ALA CA C 42 52.851 52.851 51.504 1.347 25439 6977 1 10 . 1 1 42 42 ALA CB C 42 19.135 19.135 20.468 -1.333 25439 6978 1 10 . 1 1 42 42 ALA H H 42 8.111 8.111 8.050 0.061 25439 6979 1 10 . 1 1 43 43 ALA N N 43 122.146 122.146 120.408 1.738 25439 6980 1 10 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.674 -0.377 25439 6981 1 10 . 1 1 43 43 ALA CA C 43 52.727 52.727 51.433 1.294 25439 6982 1 10 . 1 1 43 43 ALA CB C 43 19.318 19.318 19.956 -0.638 25439 6983 1 10 . 1 1 43 43 ALA H H 43 8.101 8.101 7.930 0.171 25439 6984 1 10 . 1 1 44 44 LYS N N 44 119.454 119.454 119.184 0.270 25439 6985 1 10 . 1 1 44 44 LYS HA H 44 4.349 4.349 4.053 0.296 25439 6986 1 10 . 1 1 44 44 LYS CA C 44 56.267 56.267 56.636 -0.369 25439 6987 1 10 . 1 1 44 44 LYS CB C 44 32.825 32.825 31.665 1.160 25439 6988 1 10 . 1 1 44 44 LYS H H 44 8.198 8.198 8.355 -0.157 25439 6989 1 10 . 1 1 45 45 SER N N 45 116.660 116.660 116.229 0.431 25439 6990 1 10 . 1 1 45 45 SER HA H 45 4.368 4.368 4.457 -0.089 25439 6991 1 10 . 1 1 45 45 SER CA C 45 58.477 58.477 58.903 -0.426 25439 6992 1 10 . 1 1 45 45 SER CB C 45 64.063 64.063 64.408 -0.345 25439 6993 1 10 . 1 1 45 45 SER H H 45 8.251 8.251 8.112 0.139 25439 6994 1 10 . 1 1 46 46 ASN N N 46 120.516 120.516 121.043 -0.527 25439 6995 1 10 . 1 1 46 46 ASN HA H 46 4.361 4.361 4.287 0.074 25439 6996 1 10 . 1 1 46 46 ASN CA C 46 54.657 54.657 55.636 -0.980 25439 6997 1 10 . 1 1 46 46 ASN CB C 46 37.649 37.649 37.592 0.057 25439 6998 1 10 . 1 1 46 46 ASN H H 46 8.498 8.498 8.597 -0.099 25439 6999 1 10 . 1 1 47 47 GLU N N 47 117.964 117.964 117.056 0.908 25439 7000 1 10 . 1 1 47 47 GLU HA H 47 3.350 3.350 2.584 0.766 25439 7001 1 10 . 1 1 47 47 GLU CA C 47 59.213 59.213 59.166 0.047 25439 7002 1 10 . 1 1 47 47 GLU CB C 47 28.998 28.998 28.874 0.124 25439 7003 1 10 . 1 1 47 47 GLU H H 47 8.016 8.016 8.204 -0.188 25439 7004 1 10 . 1 1 48 48 GLN N N 48 119.468 119.468 118.961 0.507 25439 7005 1 10 . 1 1 48 48 GLN HA H 48 4.250 4.250 4.050 0.200 25439 7006 1 10 . 1 1 48 48 GLN CA C 48 58.529 58.529 58.495 0.034 25439 7007 1 10 . 1 1 48 48 GLN CB C 48 28.902 28.902 27.896 1.006 25439 7008 1 10 . 1 1 48 48 GLN H H 48 7.892 7.892 7.439 0.453 25439 7009 1 10 . 1 1 49 49 LEU N N 49 120.145 120.145 120.116 0.029 25439 7010 1 10 . 1 1 49 49 LEU HA H 49 4.232 4.232 3.971 0.261 25439 7011 1 10 . 1 1 49 49 LEU CA C 49 57.479 57.479 57.572 -0.093 25439 7012 1 10 . 1 1 49 49 LEU CB C 49 41.391 41.391 41.662 -0.271 25439 7013 1 10 . 1 1 49 49 LEU H H 49 7.699 7.699 7.607 0.092 25439 7014 1 10 . 1 1 50 50 TRP N N 50 119.596 119.596 117.805 1.791 25439 7015 1 10 . 1 1 50 50 TRP HA H 50 4.520 4.520 4.380 0.140 25439 7016 1 10 . 1 1 50 50 TRP CA C 50 58.353 58.353 58.565 -0.212 25439 7017 1 10 . 1 1 50 50 TRP CB C 50 28.880 28.880 28.027 0.853 25439 7018 1 10 . 1 1 50 50 TRP H H 50 8.385 8.385 7.623 0.762 25439 7019 1 10 . 1 1 51 51 GLU N N 51 119.362 119.362 118.864 0.498 25439 7020 1 10 . 1 1 51 51 GLU HA H 51 4.145 4.145 4.319 -0.174 25439 7021 1 10 . 1 1 51 51 GLU CA C 51 60.035 60.035 59.511 0.524 25439 7022 1 10 . 1 1 51 51 GLU CB C 51 29.675 29.675 29.468 0.207 25439 7023 1 10 . 1 1 51 51 GLU H H 51 8.223 8.223 7.736 0.487 25439 7024 1 10 . 1 1 52 52 ILE N N 52 119.018 119.018 119.208 -0.190 25439 7025 1 10 . 1 1 52 52 ILE HA H 52 3.673 3.673 3.739 -0.066 25439 7026 1 10 . 1 1 52 52 ILE CA C 52 65.511 65.511 65.144 0.367 25439 7027 1 10 . 1 1 52 52 ILE CB C 52 38.532 38.532 37.992 0.540 25439 7028 1 10 . 1 1 52 52 ILE H H 52 7.801 7.801 7.302 0.499 25439 7029 1 10 . 1 1 53 53 MET N N 53 118.133 118.133 118.413 -0.280 25439 7030 1 10 . 1 1 53 53 MET HA H 53 4.452 4.452 4.128 0.324 25439 7031 1 10 . 1 1 53 53 MET CA C 53 58.216 58.216 58.551 -0.335 25439 7032 1 10 . 1 1 53 53 MET CB C 53 31.838 31.838 32.303 -0.465 25439 7033 1 10 . 1 1 53 53 MET H H 53 8.411 8.411 7.936 0.475 25439 7034 1 10 . 1 1 54 54 GLN N N 54 120.855 120.855 119.543 1.312 25439 7035 1 10 . 1 1 54 54 GLN HA H 54 4.333 4.333 3.969 0.364 25439 7036 1 10 . 1 1 54 54 GLN CA C 54 59.004 59.004 58.597 0.407 25439 7037 1 10 . 1 1 54 54 GLN CB C 54 27.824 27.824 28.895 -1.071 25439 7038 1 10 . 1 1 54 54 GLN H H 54 8.860 8.860 8.052 0.808 25439 7039 1 10 . 1 1 55 55 LEU N N 55 122.788 122.788 119.786 3.002 25439 7040 1 10 . 1 1 55 55 LEU HA H 55 4.302 4.302 4.218 0.084 25439 7041 1 10 . 1 1 55 55 LEU CA C 55 58.685 58.685 58.067 0.618 25439 7042 1 10 . 1 1 55 55 LEU CB C 55 42.695 42.695 41.911 0.784 25439 7043 1 10 . 1 1 55 55 LEU H H 55 8.298 8.298 8.289 0.009 25439 7044 1 10 . 1 1 56 56 HIS N N 56 118.426 118.426 118.139 0.287 25439 7045 1 10 . 1 1 56 56 HIS HA H 56 4.317 4.317 4.221 0.096 25439 7046 1 10 . 1 1 56 56 HIS CA C 56 60.732 60.732 60.142 0.590 25439 7047 1 10 . 1 1 56 56 HIS CB C 56 30.530 30.530 29.554 0.976 25439 7048 1 10 . 1 1 56 56 HIS H H 56 8.416 8.416 7.840 0.576 25439 7049 1 10 . 1 1 57 57 HIS N N 57 121.197 121.197 120.006 1.191 25439 7050 1 10 . 1 1 57 57 HIS HA H 57 4.318 4.318 4.537 -0.219 25439 7051 1 10 . 1 1 57 57 HIS CA C 57 60.739 60.739 58.854 1.885 25439 7052 1 10 . 1 1 57 57 HIS CB C 57 28.726 28.726 30.158 -1.432 25439 7053 1 10 . 1 1 57 57 HIS H H 57 8.608 8.608 8.241 0.367 25439 7054 1 10 . 1 1 58 58 GLN N N 58 118.739 118.739 119.113 -0.374 25439 7055 1 10 . 1 1 58 58 GLN HA H 58 4.202 4.202 4.112 0.090 25439 7056 1 10 . 1 1 58 58 GLN CA C 58 59.507 59.507 59.775 -0.268 25439 7057 1 10 . 1 1 58 58 GLN CB C 58 29.111 29.111 28.939 0.172 25439 7058 1 10 . 1 1 58 58 GLN H H 58 9.206 9.206 8.187 1.019 25439 7059 1 10 . 1 1 59 59 ARG N N 59 122.498 122.498 120.361 2.137 25439 7060 1 10 . 1 1 59 59 ARG HA H 59 3.437 3.437 3.720 -0.283 25439 7061 1 10 . 1 1 59 59 ARG CA C 59 60.361 60.361 58.950 1.411 25439 7062 1 10 . 1 1 59 59 ARG H H 59 8.623 8.623 8.478 0.145 25439 7063 1 10 . 1 1 60 60 SER N N 60 114.930 114.930 115.424 -0.494 25439 7064 1 10 . 1 1 60 60 SER HA H 60 4.515 4.515 4.244 0.271 25439 7065 1 10 . 1 1 60 60 SER CA C 60 64.832 64.832 61.524 3.308 25439 7066 1 10 . 1 1 60 60 SER CB C 60 63.583 63.583 63.020 0.563 25439 7067 1 10 . 1 1 60 60 SER H H 60 7.993 7.993 8.506 -0.513 25439 7068 1 10 . 1 1 61 61 ARG N N 61 124.417 124.417 122.829 1.588 25439 7069 1 10 . 1 1 61 61 ARG HA H 61 4.204 4.204 4.162 0.042 25439 7070 1 10 . 1 1 61 61 ARG CA C 61 58.852 58.852 59.649 -0.797 25439 7071 1 10 . 1 1 61 61 ARG CB C 61 29.077 29.077 30.283 -1.206 25439 7072 1 10 . 1 1 61 61 ARG H H 61 9.569 9.569 8.861 0.708 25439 7073 1 10 . 1 1 62 62 TYR N N 62 124.484 124.484 121.007 3.477 25439 7074 1 10 . 1 1 62 62 TYR HA H 62 4.676 4.676 4.280 0.396 25439 7075 1 10 . 1 1 62 62 TYR CA C 62 61.006 61.006 62.065 -1.059 25439 7076 1 10 . 1 1 62 62 TYR CB C 62 38.392 38.392 38.677 -0.285 25439 7077 1 10 . 1 1 62 62 TYR H H 62 8.622 8.622 8.474 0.148 25439 7078 1 10 . 1 1 63 63 ILE N N 63 119.789 119.789 119.098 0.691 25439 7079 1 10 . 1 1 63 63 ILE HA H 63 3.492 3.492 3.745 -0.253 25439 7080 1 10 . 1 1 63 63 ILE CA C 63 65.693 65.693 65.578 0.115 25439 7081 1 10 . 1 1 63 63 ILE CB C 63 38.023 38.023 38.276 -0.253 25439 7082 1 10 . 1 1 63 63 ILE H H 63 7.588 7.588 8.077 -0.489 25439 7083 1 10 . 1 1 64 64 TYR N N 64 120.485 120.485 121.373 -0.888 25439 7084 1 10 . 1 1 64 64 TYR HA H 64 4.577 4.577 4.354 0.223 25439 7085 1 10 . 1 1 64 64 TYR CA C 64 61.759 61.759 62.200 -0.441 25439 7086 1 10 . 1 1 64 64 TYR CB C 64 39.772 39.772 38.365 1.407 25439 7087 1 10 . 1 1 64 64 TYR H H 64 9.166 9.166 9.292 -0.126 25439 7088 1 10 . 1 1 65 65 THR N N 65 117.072 117.072 116.615 0.457 25439 7089 1 10 . 1 1 65 65 THR HA H 65 3.562 3.562 4.005 -0.443 25439 7090 1 10 . 1 1 65 65 THR CA C 65 67.016 67.016 66.523 0.493 25439 7091 1 10 . 1 1 65 65 THR CB C 65 68.711 68.711 68.596 0.115 25439 7092 1 10 . 1 1 65 65 THR H H 65 8.987 8.987 8.495 0.492 25439 7093 1 10 . 1 1 66 66 LEU N N 66 122.107 122.107 121.579 0.528 25439 7094 1 10 . 1 1 66 66 LEU HA H 66 3.782 3.782 4.315 -0.533 25439 7095 1 10 . 1 1 66 66 LEU CA C 66 58.476 58.476 58.181 0.295 25439 7096 1 10 . 1 1 66 66 LEU CB C 66 43.183 43.183 40.942 2.241 25439 7097 1 10 . 1 1 66 66 LEU H H 66 8.286 8.286 7.674 0.612 25439 7098 1 10 . 1 1 67 67 TYR N N 67 115.264 115.264 119.331 -4.067 25439 7099 1 10 . 1 1 67 67 TYR HA H 67 4.344 4.344 4.096 0.248 25439 7100 1 10 . 1 1 67 67 TYR CA C 67 60.830 60.830 61.571 -0.741 25439 7101 1 10 . 1 1 67 67 TYR CB C 67 40.376 40.376 39.424 0.952 25439 7102 1 10 . 1 1 67 67 TYR H H 67 7.983 7.983 8.444 -0.461 25439 7103 1 10 . 1 1 68 68 TYR N N 68 113.945 113.945 115.324 -1.379 25439 7104 1 10 . 1 1 68 68 TYR HA H 68 3.699 3.699 4.168 -0.469 25439 7105 1 10 . 1 1 68 68 TYR CA C 68 62.030 62.030 59.705 2.325 25439 7106 1 10 . 1 1 68 68 TYR CB C 68 38.046 38.046 38.694 -0.647 25439 7107 1 10 . 1 1 68 68 TYR H H 68 8.297 8.297 7.485 0.812 25439 7108 1 10 . 1 1 69 69 LYS N N 69 114.346 114.346 117.748 -3.402 25439 7109 1 10 . 1 1 69 69 LYS HA H 69 4.564 4.564 4.484 0.080 25439 7110 1 10 . 1 1 69 69 LYS CA C 69 56.821 56.821 56.682 0.139 25439 7111 1 10 . 1 1 69 69 LYS CB C 69 31.980 31.980 33.526 -1.546 25439 7112 1 10 . 1 1 69 69 LYS H H 69 7.084 7.084 7.420 -0.336 25439 7113 1 10 . 1 1 70 70 ARG N N 70 114.676 114.676 119.101 -4.425 25439 7114 1 10 . 1 1 70 70 ARG HA H 70 4.251 4.251 4.079 0.172 25439 7115 1 10 . 1 1 70 70 ARG CA C 70 56.314 56.314 57.127 -0.813 25439 7116 1 10 . 1 1 70 70 ARG CB C 70 31.128 31.128 30.797 0.331 25439 7117 1 10 . 1 1 70 70 ARG H H 70 8.178 8.178 8.188 -0.010 25439 7118 1 10 . 1 1 71 71 LYS N N 71 115.371 115.371 115.618 -0.247 25439 7119 1 10 . 1 1 71 71 LYS HA H 71 4.036 4.036 3.829 0.207 25439 7120 1 10 . 1 1 71 71 LYS CA C 71 57.121 57.121 57.060 0.061 25439 7121 1 10 . 1 1 71 71 LYS CB C 71 28.897 28.897 30.501 -1.604 25439 7122 1 10 . 1 1 71 71 LYS H H 71 6.843 6.843 7.810 -0.967 25439 7123 1 10 . 1 1 72 72 ALA N N 72 117.701 117.701 121.522 -3.821 25439 7124 1 10 . 1 1 72 72 ALA HA H 72 4.395 4.395 4.466 -0.071 25439 7125 1 10 . 1 1 72 72 ALA CA C 72 52.597 52.597 51.770 0.827 25439 7126 1 10 . 1 1 72 72 ALA CB C 72 21.560 21.560 19.859 1.701 25439 7127 1 10 . 1 1 72 72 ALA H H 72 8.560 8.560 7.763 0.797 25439 7128 1 10 . 1 1 73 73 ILE N N 73 107.605 107.605 116.877 -9.272 25439 7129 1 10 . 1 1 73 73 ILE CB C 73 42.724 42.724 41.672 1.052 25439 7130 1 10 . 1 1 73 73 ILE H H 73 7.074 7.074 7.454 -0.380 25439 7131 1 10 . 1 1 74 74 SER N N 74 118.425 118.425 118.477 -0.052 25439 7132 1 10 . 1 1 74 74 SER HA H 74 4.484 4.484 4.926 -0.442 25439 7133 1 10 . 1 1 74 74 SER CA C 74 57.082 57.082 56.959 0.123 25439 7134 1 10 . 1 1 74 74 SER CB C 74 65.396 65.396 65.819 -0.423 25439 7135 1 10 . 1 1 74 74 SER H H 74 8.797 8.797 8.370 0.427 25439 7136 1 10 . 1 1 75 75 LYS N N 75 121.891 121.891 124.542 -2.651 25439 7137 1 10 . 1 1 75 75 LYS HA H 75 3.851 3.851 4.143 -0.292 25439 7138 1 10 . 1 1 75 75 LYS CA C 75 59.624 59.624 59.910 -0.285 25439 7139 1 10 . 1 1 75 75 LYS CB C 75 32.368 32.368 32.461 -0.093 25439 7140 1 10 . 1 1 75 75 LYS H H 75 9.024 9.024 9.214 -0.190 25439 7141 1 10 . 1 1 76 76 ASP N N 76 115.908 115.908 118.615 -2.707 25439 7142 1 10 . 1 1 76 76 ASP HA H 76 4.423 4.423 4.393 0.030 25439 7143 1 10 . 1 1 76 76 ASP CA C 76 57.362 57.362 57.793 -0.431 25439 7144 1 10 . 1 1 76 76 ASP CB C 76 40.391 40.391 40.270 0.120 25439 7145 1 10 . 1 1 76 76 ASP H H 76 8.161 8.161 8.351 -0.190 25439 7146 1 10 . 1 1 77 77 LEU N N 77 121.705 121.705 120.956 0.749 25439 7147 1 10 . 1 1 77 77 LEU HA H 77 4.180 4.180 4.110 0.070 25439 7148 1 10 . 1 1 77 77 LEU CA C 77 57.818 57.818 57.868 -0.050 25439 7149 1 10 . 1 1 77 77 LEU H H 77 8.345 8.345 7.453 0.892 25439 7150 1 10 . 1 1 78 78 TYR N N 78 121.511 121.511 119.864 1.647 25439 7151 1 10 . 1 1 78 78 TYR HA H 78 3.789 3.789 3.933 -0.144 25439 7152 1 10 . 1 1 78 78 TYR CA C 78 62.857 62.857 60.622 2.235 25439 7153 1 10 . 1 1 78 78 TYR CB C 78 38.369 38.369 37.583 0.786 25439 7154 1 10 . 1 1 78 78 TYR H H 78 8.598 8.598 8.572 0.026 25439 7155 1 10 . 1 1 79 79 ASP N N 79 117.189 117.189 119.735 -2.546 25439 7156 1 10 . 1 1 79 79 ASP HA H 79 4.066 4.066 3.992 0.074 25439 7157 1 10 . 1 1 79 79 ASP CA C 79 57.219 57.219 57.111 0.108 25439 7158 1 10 . 1 1 79 79 ASP CB C 79 40.003 40.003 40.550 -0.547 25439 7159 1 10 . 1 1 79 79 ASP H H 79 9.106 9.106 8.620 0.486 25439 7160 1 10 . 1 1 80 80 TRP N N 80 123.400 123.400 122.345 1.055 25439 7161 1 10 . 1 1 80 80 TRP HA H 80 4.160 4.160 4.133 0.027 25439 7162 1 10 . 1 1 80 80 TRP CA C 80 62.368 62.368 61.866 0.502 25439 7163 1 10 . 1 1 80 80 TRP CB C 80 29.969 29.969 29.244 0.725 25439 7164 1 10 . 1 1 80 80 TRP H H 80 7.931 7.931 8.348 -0.417 25439 7165 1 10 . 1 1 81 81 LEU N N 81 119.674 119.674 118.794 0.880 25439 7166 1 10 . 1 1 81 81 LEU HA H 81 3.971 3.971 2.653 1.318 25439 7167 1 10 . 1 1 81 81 LEU CA C 81 58.294 58.294 57.554 0.740 25439 7168 1 10 . 1 1 81 81 LEU CB C 81 41.818 41.818 41.554 0.264 25439 7169 1 10 . 1 1 81 81 LEU H H 81 8.814 8.814 7.672 1.142 25439 7170 1 10 . 1 1 82 82 ILE N N 82 118.746 118.746 118.745 0.001 25439 7171 1 10 . 1 1 82 82 ILE HA H 82 3.861 3.861 3.706 0.155 25439 7172 1 10 . 1 1 82 82 ILE CA C 82 62.734 62.734 63.122 -0.388 25439 7173 1 10 . 1 1 82 82 ILE CB C 82 36.236 36.236 36.386 -0.150 25439 7174 1 10 . 1 1 82 82 ILE H H 82 7.886 7.886 7.548 0.338 25439 7175 1 10 . 1 1 83 83 LYS N N 83 124.819 124.819 118.734 6.085 25439 7176 1 10 . 1 1 83 83 LYS HA H 83 3.911 3.911 4.126 -0.215 25439 7177 1 10 . 1 1 83 83 LYS CA C 83 59.643 59.643 57.914 1.729 25439 7178 1 10 . 1 1 83 83 LYS CB C 83 32.027 32.027 32.773 -0.746 25439 7179 1 10 . 1 1 83 83 LYS H H 83 8.224 8.224 7.821 0.403 25439 7180 1 10 . 1 1 84 84 GLU N N 84 115.404 115.404 117.768 -2.364 25439 7181 1 10 . 1 1 84 84 GLU HA H 84 3.841 3.841 4.260 -0.419 25439 7182 1 10 . 1 1 84 84 GLU CA C 84 55.582 55.582 55.283 0.299 25439 7183 1 10 . 1 1 84 84 GLU CB C 84 29.459 29.459 28.560 0.899 25439 7184 1 10 . 1 1 84 84 GLU H H 84 8.138 8.138 7.275 0.863 25439 7185 1 10 . 1 1 85 85 LYS N N 85 111.563 111.563 118.257 -6.694 25439 7186 1 10 . 1 1 85 85 LYS HA H 85 3.820 3.820 3.951 -0.131 25439 7187 1 10 . 1 1 85 85 LYS CA C 85 57.890 57.890 57.239 0.651 25439 7188 1 10 . 1 1 85 85 LYS CB C 85 28.005 28.005 30.615 -2.610 25439 7189 1 10 . 1 1 85 85 LYS H H 85 7.719 7.719 7.973 -0.254 25439 7190 1 10 . 1 1 86 86 TYR N N 86 116.916 116.916 118.467 -1.551 25439 7191 1 10 . 1 1 86 86 TYR HA H 86 4.137 4.137 4.416 -0.279 25439 7192 1 10 . 1 1 86 86 TYR CA C 86 61.228 61.228 58.280 2.948 25439 7193 1 10 . 1 1 86 86 TYR CB C 86 39.535 39.535 40.488 -0.953 25439 7194 1 10 . 1 1 86 86 TYR H H 86 8.521 8.521 8.328 0.193 25439 7195 1 10 . 1 1 87 87 ALA N N 87 113.715 113.715 118.895 -5.180 25439 7196 1 10 . 1 1 87 87 ALA HA H 87 4.738 4.738 4.309 0.429 25439 7197 1 10 . 1 1 87 87 ALA CA C 87 49.121 49.121 50.479 -1.358 25439 7198 1 10 . 1 1 87 87 ALA CB C 87 23.295 23.295 21.312 1.983 25439 7199 1 10 . 1 1 87 87 ALA H H 87 6.959 6.959 7.588 -0.629 25439 7200 1 10 . 1 1 88 88 ASP N N 88 119.344 119.344 119.343 0.001 25439 7201 1 10 . 1 1 88 88 ASP HA H 88 4.544 4.544 4.844 -0.300 25439 7202 1 10 . 1 1 88 88 ASP CA C 88 52.714 52.714 53.269 -0.555 25439 7203 1 10 . 1 1 88 88 ASP CB C 88 41.845 41.845 42.456 -0.611 25439 7204 1 10 . 1 1 88 88 ASP H H 88 7.870 7.870 8.496 -0.626 25439 7205 1 10 . 1 1 89 89 LYS N N 89 125.312 125.312 126.341 -1.029 25439 7206 1 10 . 1 1 89 89 LYS HA H 89 3.834 3.834 4.057 -0.223 25439 7207 1 10 . 1 1 89 89 LYS CA C 89 59.409 59.409 59.814 -0.405 25439 7208 1 10 . 1 1 89 89 LYS CB C 89 32.848 32.848 32.585 0.263 25439 7209 1 10 . 1 1 89 89 LYS H H 89 8.467 8.467 8.773 -0.306 25439 7210 1 10 . 1 1 90 90 LEU N N 90 119.899 119.899 121.124 -1.225 25439 7211 1 10 . 1 1 90 90 LEU HA H 90 4.023 4.023 3.997 0.026 25439 7212 1 10 . 1 1 90 90 LEU CA C 90 57.049 57.049 58.008 -0.959 25439 7213 1 10 . 1 1 90 90 LEU CB C 90 41.099 41.099 41.657 -0.558 25439 7214 1 10 . 1 1 90 90 LEU H H 90 8.076 8.076 7.945 0.131 25439 7215 1 10 . 1 1 91 91 LEU N N 91 123.148 123.148 120.201 2.947 25439 7216 1 10 . 1 1 91 91 LEU HA H 91 3.498 3.498 3.723 -0.225 25439 7217 1 10 . 1 1 91 91 LEU CA C 91 56.971 56.971 57.761 -0.790 25439 7218 1 10 . 1 1 91 91 LEU CB C 91 41.823 41.823 41.111 0.712 25439 7219 1 10 . 1 1 91 91 LEU H H 91 7.120 7.120 8.075 -0.955 25439 7220 1 10 . 1 1 92 92 ILE N N 92 116.780 116.780 118.629 -1.849 25439 7221 1 10 . 1 1 92 92 ILE HA H 92 3.265 3.265 3.572 -0.307 25439 7222 1 10 . 1 1 92 92 ILE CA C 92 65.178 65.178 65.302 -0.124 25439 7223 1 10 . 1 1 92 92 ILE CB C 92 38.209 38.209 37.488 0.721 25439 7224 1 10 . 1 1 92 92 ILE H H 92 7.384 7.384 7.958 -0.574 25439 7225 1 10 . 1 1 93 93 ALA N N 93 117.061 117.061 122.511 -5.450 25439 7226 1 10 . 1 1 93 93 ALA HA H 93 3.930 3.930 4.008 -0.078 25439 7227 1 10 . 1 1 93 93 ALA CA C 93 54.839 54.839 55.443 -0.604 25439 7228 1 10 . 1 1 93 93 ALA CB C 93 18.125 18.125 18.084 0.041 25439 7229 1 10 . 1 1 93 93 ALA H H 93 7.437 7.437 8.599 -1.162 25439 7230 1 10 . 1 1 94 94 LYS N N 94 116.036 116.036 118.866 -2.830 25439 7231 1 10 . 1 1 94 94 LYS HA H 94 3.803 3.803 3.740 0.063 25439 7232 1 10 . 1 1 94 94 LYS CA C 94 56.945 56.945 59.132 -2.187 25439 7233 1 10 . 1 1 94 94 LYS CB C 94 31.047 31.047 31.888 -0.841 25439 7234 1 10 . 1 1 94 94 LYS H H 94 7.012 7.012 7.861 -0.849 25439 7235 1 10 . 1 1 95 95 TRP N N 95 118.700 118.700 117.108 1.592 25439 7236 1 10 . 1 1 95 95 TRP HA H 95 4.814 4.814 4.509 0.305 25439 7237 1 10 . 1 1 95 95 TRP CA C 95 57.136 57.136 59.325 -2.189 25439 7238 1 10 . 1 1 95 95 TRP CB C 95 28.171 28.171 29.050 -0.879 25439 7239 1 10 . 1 1 95 95 TRP H H 95 7.611 7.611 7.506 0.105 25439 7240 1 10 . 1 1 96 96 ARG N N 96 113.031 113.031 116.208 -3.177 25439 7241 1 10 . 1 1 96 96 ARG HA H 96 4.233 4.233 4.298 -0.065 25439 7242 1 10 . 1 1 96 96 ARG CA C 96 56.234 56.234 57.881 -1.647 25439 7243 1 10 . 1 1 96 96 ARG CB C 96 30.245 30.245 30.789 -0.544 25439 7244 1 10 . 1 1 96 96 ARG H H 96 7.066 7.066 7.459 -0.393 25439 7245 1 10 . 1 1 97 97 LYS N N 97 123.252 123.252 119.788 3.464 25439 7246 1 10 . 1 1 97 97 LYS HA H 97 4.634 4.634 4.249 0.385 25439 7247 1 10 . 1 1 97 97 LYS CA C 97 54.937 54.937 57.096 -2.159 25439 7248 1 10 . 1 1 97 97 LYS CB C 97 34.166 34.166 32.960 1.206 25439 7249 1 10 . 1 1 97 97 LYS H H 97 8.467 8.467 8.182 0.285 25439 7250 1 10 . 1 1 98 98 THR N N 98 119.993 119.993 114.310 5.683 25439 7251 1 10 . 1 1 98 98 THR HA H 98 4.224 4.224 4.485 -0.261 25439 7252 1 10 . 1 1 98 98 THR CA C 98 64.670 64.670 61.338 3.332 25439 7253 1 10 . 1 1 98 98 THR CB C 98 69.200 69.200 69.731 -0.531 25439 7254 1 10 . 1 1 98 98 THR H H 98 8.329 8.329 8.072 0.257 25439 7255 1 10 . 1 1 99 99 GLY N N 99 116.645 116.645 113.337 3.308 25439 7256 1 10 . 1 1 99 99 GLY CA C 99 45.047 45.047 44.852 0.195 25439 7257 1 10 . 1 1 99 99 GLY H H 99 9.273 9.273 8.736 0.537 25439 7258 1 10 . 1 1 100 100 TYR N N 100 120.784 120.784 122.068 -1.284 25439 7259 1 10 . 1 1 100 100 TYR HA H 100 4.704 4.704 4.609 0.095 25439 7260 1 10 . 1 1 100 100 TYR CA C 100 57.697 57.697 56.344 1.353 25439 7261 1 10 . 1 1 100 100 TYR CB C 100 39.413 39.413 36.045 3.368 25439 7262 1 10 . 1 1 100 100 TYR H H 100 8.457 8.457 8.074 0.383 25439 7263 1 10 . 1 1 101 101 GLU N N 101 119.482 119.482 121.735 -2.253 25439 7264 1 10 . 1 1 101 101 GLU HA H 101 4.601 4.601 4.289 0.312 25439 7265 1 10 . 1 1 101 101 GLU CA C 101 61.207 61.207 58.430 2.777 25439 7266 1 10 . 1 1 101 101 GLU CB C 101 29.648 29.648 30.262 -0.614 25439 7267 1 10 . 1 1 101 101 GLU H H 101 9.836 9.836 7.954 1.882 25439 7268 1 10 . 1 1 102 102 LYS N N 102 115.179 115.179 120.471 -5.292 25439 7269 1 10 . 1 1 102 102 LYS HA H 102 4.295 4.295 4.604 -0.309 25439 7270 1 10 . 1 1 102 102 LYS CA C 102 54.207 54.207 55.337 -1.130 25439 7271 1 10 . 1 1 102 102 LYS CB C 102 32.489 32.489 32.676 -0.187 25439 7272 1 10 . 1 1 102 102 LYS H H 102 8.291 8.291 7.964 0.327 25439 7273 1 10 . 1 1 103 103 LEU N N 103 119.637 119.637 120.225 -0.588 25439 7274 1 10 . 1 1 103 103 LEU HA H 103 4.385 4.385 4.941 -0.556 25439 7275 1 10 . 1 1 103 103 LEU CA C 103 56.549 56.549 53.995 2.554 25439 7276 1 10 . 1 1 103 103 LEU CB C 103 43.864 43.864 44.352 -0.488 25439 7277 1 10 . 1 1 103 103 LEU H H 103 7.642 7.642 8.096 -0.454 25439 7278 1 10 . 1 1 104 104 CYS N N 104 129.651 129.651 117.802 11.849 25439 7279 1 10 . 1 1 104 104 CYS HA H 104 4.498 4.498 5.069 -0.571 25439 7280 1 10 . 1 1 104 104 CYS CA C 104 58.076 58.076 58.453 -0.377 25439 7281 1 10 . 1 1 104 104 CYS CB C 104 32.301 32.301 28.184 4.117 25439 7282 1 10 . 1 1 104 104 CYS H H 104 8.638 8.638 8.917 -0.279 25439 7283 1 10 . 1 1 105 105 CYS N N 105 120.206 120.206 117.586 2.620 25439 7284 1 10 . 1 1 105 105 CYS HA H 105 4.806 4.806 4.778 0.028 25439 7285 1 10 . 1 1 105 105 CYS CA C 105 58.271 58.271 56.989 1.282 25439 7286 1 10 . 1 1 105 105 CYS CB C 105 32.062 32.062 30.431 1.631 25439 7287 1 10 . 1 1 105 105 CYS H H 105 8.158 8.158 7.891 0.267 25439 7288 1 10 . 1 1 106 106 LEU N N 106 115.513 115.513 122.359 -6.846 25439 7289 1 10 . 1 1 106 106 LEU HA H 106 4.054 4.054 4.300 -0.246 25439 7290 1 10 . 1 1 106 106 LEU CA C 106 56.110 56.110 56.506 -0.396 25439 7291 1 10 . 1 1 106 106 LEU CB C 106 41.227 41.227 42.254 -1.027 25439 7292 1 10 . 1 1 106 106 LEU H H 106 8.466 8.466 8.435 0.031 25439 7293 1 10 . 1 1 107 107 ARG N N 107 122.711 122.711 116.896 5.815 25439 7294 1 10 . 1 1 107 107 ARG HA H 107 3.993 3.993 4.325 -0.332 25439 7295 1 10 . 1 1 107 107 ARG CA C 107 58.311 58.311 56.054 2.256 25439 7296 1 10 . 1 1 107 107 ARG CB C 107 28.965 28.965 28.579 0.386 25439 7297 1 10 . 1 1 107 107 ARG H H 107 8.131 8.131 8.044 0.087 25439 7298 1 10 . 1 1 108 108 CYS N N 108 119.055 119.055 116.127 2.928 25439 7299 1 10 . 1 1 108 108 CYS HA H 108 4.101 4.101 4.707 -0.606 25439 7300 1 10 . 1 1 108 108 CYS CA C 108 63.936 63.936 58.956 4.980 25439 7301 1 10 . 1 1 108 108 CYS CB C 108 30.934 30.934 29.571 1.363 25439 7302 1 10 . 1 1 108 108 CYS H H 108 8.010 8.010 8.084 -0.074 25439 7303 1 10 . 1 1 109 109 ILE N N 109 107.315 107.315 117.006 -9.691 25439 7304 1 10 . 1 1 109 109 ILE HA H 109 4.684 4.684 3.981 0.703 25439 7305 1 10 . 1 1 109 109 ILE CA C 109 60.483 60.483 63.363 -2.880 25439 7306 1 10 . 1 1 109 109 ILE CB C 109 38.320 38.320 38.163 0.157 25439 7307 1 10 . 1 1 109 109 ILE H H 109 7.105 7.105 7.879 -0.774 25439 7308 1 10 . 1 1 110 110 GLN N N 110 122.468 122.468 117.648 4.820 25439 7309 1 10 . 1 1 110 110 GLN HA H 110 4.268 4.268 4.490 -0.222 25439 7310 1 10 . 1 1 110 110 GLN CA C 110 55.981 55.981 55.119 0.862 25439 7311 1 10 . 1 1 110 110 GLN CB C 110 29.656 29.656 31.820 -2.164 25439 7312 1 10 . 1 1 110 110 GLN H H 110 7.156 7.156 7.557 -0.401 25439 7313 1 10 . 1 1 111 111 LYS N N 111 124.650 124.650 122.626 2.024 25439 7314 1 10 . 1 1 111 111 LYS HA H 111 4.246 4.246 4.425 -0.179 25439 7315 1 10 . 1 1 111 111 LYS CA C 111 56.546 56.546 56.732 -0.186 25439 7316 1 10 . 1 1 111 111 LYS CB C 111 32.846 32.846 33.457 -0.611 25439 7317 1 10 . 1 1 111 111 LYS H H 111 8.522 8.522 8.628 -0.106 25439 7318 1 10 . 1 1 112 112 ASN N N 112 120.972 120.972 117.656 3.316 25439 7319 1 10 . 1 1 112 112 ASN HA H 112 4.778 4.778 4.881 -0.103 25439 7320 1 10 . 1 1 112 112 ASN CA C 112 52.902 52.902 52.599 0.303 25439 7321 1 10 . 1 1 112 112 ASN CB C 112 39.328 39.328 40.163 -0.835 25439 7322 1 10 . 1 1 112 112 ASN H H 112 8.360 8.360 8.396 -0.036 25439 7323 1 10 . 1 1 113 113 GLU N N 113 121.710 121.710 118.868 2.842 25439 7324 1 10 . 1 1 113 113 GLU HA H 113 4.248 4.248 4.560 -0.312 25439 7325 1 10 . 1 1 113 113 GLU CA C 113 58.611 58.611 55.482 3.129 25439 7326 1 10 . 1 1 113 113 GLU CB C 113 29.590 29.590 29.443 0.147 25439 7327 1 10 . 1 1 113 113 GLU H H 113 9.023 9.023 8.644 0.379 25439 7328 1 10 . 1 1 114 114 THR N N 114 112.186 112.186 113.716 -1.530 25439 7329 1 10 . 1 1 114 114 THR HA H 114 4.321 4.321 4.474 -0.153 25439 7330 1 10 . 1 1 114 114 THR CA C 114 63.161 63.161 62.148 1.013 25439 7331 1 10 . 1 1 114 114 THR CB C 114 69.481 69.481 69.669 -0.188 25439 7332 1 10 . 1 1 114 114 THR H H 114 8.112 8.112 8.081 0.031 25439 7333 1 10 . 1 1 115 115 ASN N N 115 119.112 119.112 118.926 0.186 25439 7334 1 10 . 1 1 115 115 ASN HA H 115 4.829 4.829 4.897 -0.068 25439 7335 1 10 . 1 1 115 115 ASN CA C 115 53.110 53.110 52.753 0.357 25439 7336 1 10 . 1 1 115 115 ASN CB C 115 38.659 38.659 40.385 -1.726 25439 7337 1 10 . 1 1 115 115 ASN H H 115 8.047 8.047 7.947 0.100 25439 7338 1 10 . 1 1 116 116 ASN N N 116 117.175 117.175 117.767 -0.592 25439 7339 1 10 . 1 1 116 116 ASN HA H 116 4.615 4.615 4.929 -0.314 25439 7340 1 10 . 1 1 116 116 ASN CA C 116 53.965 53.965 52.933 1.032 25439 7341 1 10 . 1 1 116 116 ASN CB C 116 38.173 38.173 38.474 -0.300 25439 7342 1 10 . 1 1 116 116 ASN H H 116 8.364 8.364 8.649 -0.285 25439 7343 1 10 . 1 1 117 117 GLY N N 117 107.294 107.294 110.263 -2.969 25439 7344 1 10 . 1 1 117 117 GLY CA C 117 45.882 45.882 45.168 0.714 25439 7345 1 10 . 1 1 117 117 GLY H H 117 8.264 8.264 8.621 -0.357 25439 7346 1 10 . 1 1 118 118 SER N N 118 115.475 115.475 118.734 -3.259 25439 7347 1 10 . 1 1 118 118 SER HA H 118 4.586 4.586 4.748 -0.162 25439 7348 1 10 . 1 1 118 118 SER CA C 118 57.974 57.974 57.645 0.329 25439 7349 1 10 . 1 1 118 118 SER CB C 118 64.479 64.479 64.708 -0.229 25439 7350 1 10 . 1 1 118 118 SER H H 118 7.905 7.905 8.248 -0.343 25439 7351 1 10 . 1 1 119 119 THR N N 119 111.360 111.360 116.576 -5.216 25439 7352 1 10 . 1 1 119 119 THR HA H 119 4.450 4.450 4.618 -0.168 25439 7353 1 10 . 1 1 119 119 THR CA C 119 61.215 61.215 60.771 0.444 25439 7354 1 10 . 1 1 119 119 THR CB C 119 70.569 70.569 70.891 -0.323 25439 7355 1 10 . 1 1 119 119 THR H H 119 8.044 8.044 8.003 0.041 25439 7356 1 10 . 1 1 120 120 CYS N N 120 122.708 122.708 122.162 0.546 25439 7357 1 10 . 1 1 120 120 CYS HA H 120 4.255 4.255 4.457 -0.202 25439 7358 1 10 . 1 1 120 120 CYS CA C 120 61.469 61.469 59.960 1.509 25439 7359 1 10 . 1 1 120 120 CYS CB C 120 30.892 30.892 28.332 2.560 25439 7360 1 10 . 1 1 120 120 CYS H H 120 8.045 8.045 8.280 -0.235 25439 7361 1 10 . 1 1 121 121 ILE N N 121 132.463 132.463 124.197 8.266 25439 7362 1 10 . 1 1 121 121 ILE HA H 121 4.025 4.025 3.767 0.258 25439 7363 1 10 . 1 1 121 121 ILE CA C 121 63.353 63.353 63.191 0.162 25439 7364 1 10 . 1 1 121 121 ILE CB C 121 38.222 38.222 37.519 0.703 25439 7365 1 10 . 1 1 121 121 ILE H H 121 8.237 8.237 8.529 -0.292 25439 7366 1 10 . 1 1 122 122 CYS N N 122 123.931 123.931 116.815 7.116 25439 7367 1 10 . 1 1 122 122 CYS HA H 122 4.233 4.233 4.191 0.042 25439 7368 1 10 . 1 1 122 122 CYS CA C 122 60.230 60.230 60.611 -0.381 25439 7369 1 10 . 1 1 122 122 CYS CB C 122 30.602 30.602 25.791 4.811 25439 7370 1 10 . 1 1 122 122 CYS H H 122 9.355 9.355 7.698 1.657 25439 7371 1 10 . 1 1 123 123 ARG N N 123 119.561 119.561 121.219 -1.658 25439 7372 1 10 . 1 1 123 123 ARG HA H 123 4.150 4.150 4.361 -0.211 25439 7373 1 10 . 1 1 123 123 ARG CA C 123 53.177 53.177 58.501 -5.324 25439 7374 1 10 . 1 1 123 123 ARG CB C 123 27.961 27.961 30.639 -2.678 25439 7375 1 10 . 1 1 123 123 ARG H H 123 7.677 7.677 7.552 0.125 25439 7376 1 10 . 1 1 124 124 VAL N N 124 122.794 122.794 120.951 1.843 25439 7377 1 10 . 1 1 124 124 VAL HA H 124 4.081 4.081 4.077 0.004 25439 7378 1 10 . 1 1 124 124 VAL CA C 124 60.647 60.647 60.353 0.294 25439 7379 1 10 . 1 1 124 124 VAL CB C 124 32.857 32.857 31.074 1.783 25439 7380 1 10 . 1 1 124 124 VAL H H 124 7.578 7.578 7.459 0.119 25439 7381 1 10 . 1 1 125 125 PRO HA H 125 4.263 4.263 4.539 -0.276 25439 7382 1 10 . 1 1 125 125 PRO CA C 125 63.268 63.268 62.135 1.133 25439 7383 1 10 . 1 1 125 125 PRO CB C 125 32.379 32.379 32.891 -0.512 25439 7384 1 10 . 1 1 126 126 ARG N N 126 128.350 128.350 120.397 7.953 25439 7385 1 10 . 1 1 126 126 ARG HA H 126 3.912 3.912 4.062 -0.150 25439 7386 1 10 . 1 1 126 126 ARG CA C 126 59.653 59.653 59.525 0.128 25439 7387 1 10 . 1 1 126 126 ARG CB C 126 29.339 29.339 29.639 -0.300 25439 7388 1 10 . 1 1 126 126 ARG H H 126 9.534 9.534 8.889 0.645 25439 7389 1 10 . 1 1 127 127 ALA N N 127 119.169 119.169 121.616 -2.447 25439 7390 1 10 . 1 1 127 127 ALA HA H 127 4.192 4.192 4.039 0.153 25439 7391 1 10 . 1 1 127 127 ALA CA C 127 55.227 55.227 55.081 0.146 25439 7392 1 10 . 1 1 127 127 ALA CB C 127 18.363 18.363 18.047 0.316 25439 7393 1 10 . 1 1 127 127 ALA H H 127 9.263 9.263 8.451 0.812 25439 7394 1 10 . 1 1 128 128 GLN N N 128 117.345 117.345 118.540 -1.195 25439 7395 1 10 . 1 1 128 128 GLN HA H 128 4.209 4.209 4.068 0.141 25439 7396 1 10 . 1 1 128 128 GLN CA C 128 58.506 58.506 58.704 -0.198 25439 7397 1 10 . 1 1 128 128 GLN CB C 128 28.220 28.220 28.468 -0.248 25439 7398 1 10 . 1 1 128 128 GLN H H 128 7.448 7.448 8.291 -0.843 25439 7399 1 10 . 1 1 129 129 LEU N N 129 120.561 120.561 120.439 0.122 25439 7400 1 10 . 1 1 129 129 LEU HA H 129 4.088 4.088 4.198 -0.110 25439 7401 1 10 . 1 1 129 129 LEU CA C 129 57.952 57.952 57.797 0.155 25439 7402 1 10 . 1 1 129 129 LEU CB C 129 41.817 41.817 42.027 -0.210 25439 7403 1 10 . 1 1 129 129 LEU H H 129 7.622 7.622 7.467 0.155 25439 7404 1 10 . 1 1 130 130 GLU N N 130 119.122 119.122 118.707 0.415 25439 7405 1 10 . 1 1 130 130 GLU HA H 130 3.956 3.956 3.868 0.088 25439 7406 1 10 . 1 1 130 130 GLU CA C 130 59.353 59.353 59.824 -0.471 25439 7407 1 10 . 1 1 130 130 GLU CB C 130 29.337 29.337 29.250 0.087 25439 7408 1 10 . 1 1 130 130 GLU H H 130 8.656 8.656 8.638 0.018 25439 7409 1 10 . 1 1 131 131 GLU N N 131 121.469 121.469 119.063 2.406 25439 7410 1 10 . 1 1 131 131 GLU HA H 131 4.163 4.163 3.985 0.178 25439 7411 1 10 . 1 1 131 131 GLU CA C 131 59.288 59.288 59.562 -0.274 25439 7412 1 10 . 1 1 131 131 GLU CB C 131 29.422 29.422 29.546 -0.124 25439 7413 1 10 . 1 1 131 131 GLU H H 131 7.922 7.922 7.801 0.121 25439 7414 1 10 . 1 1 132 132 GLU N N 132 119.241 119.241 119.565 -0.324 25439 7415 1 10 . 1 1 132 132 GLU HA H 132 3.998 3.998 4.035 -0.037 25439 7416 1 10 . 1 1 132 132 GLU CA C 132 59.327 59.327 59.389 -0.062 25439 7417 1 10 . 1 1 132 132 GLU CB C 132 29.421 29.421 29.077 0.344 25439 7418 1 10 . 1 1 132 132 GLU H H 132 8.099 8.099 7.620 0.479 25439 7419 1 10 . 1 1 133 133 ALA N N 133 121.302 121.302 122.194 -0.892 25439 7420 1 10 . 1 1 133 133 ALA HA H 133 4.053 4.053 4.049 0.004 25439 7421 1 10 . 1 1 133 133 ALA CA C 133 54.973 54.973 55.012 -0.039 25439 7422 1 10 . 1 1 133 133 ALA CB C 133 18.154 18.154 18.318 -0.164 25439 7423 1 10 . 1 1 133 133 ALA H H 133 7.795 7.795 7.601 0.194 25439 7424 1 10 . 1 1 134 134 ARG N N 134 118.757 118.757 117.212 1.545 25439 7425 1 10 . 1 1 134 134 ARG HA H 134 4.143 4.143 4.064 0.079 25439 7426 1 10 . 1 1 134 134 ARG CA C 134 59.438 59.438 58.866 0.572 25439 7427 1 10 . 1 1 134 134 ARG CB C 134 30.148 30.148 29.888 0.260 25439 7428 1 10 . 1 1 134 134 ARG H H 134 8.145 8.145 7.928 0.217 25439 7429 1 10 . 1 1 135 135 LYS N N 135 119.496 119.496 117.910 1.586 25439 7430 1 10 . 1 1 135 135 LYS HA H 135 4.073 4.073 4.265 -0.192 25439 7431 1 10 . 1 1 135 135 LYS CA C 135 59.327 59.327 57.447 1.879 25439 7432 1 10 . 1 1 135 135 LYS CB C 135 32.539 32.539 32.805 -0.266 25439 7433 1 10 . 1 1 135 135 LYS H H 135 8.036 8.036 7.645 0.391 25439 7434 1 10 . 1 1 136 136 LYS N N 136 116.645 116.645 117.739 -1.094 25439 7435 1 10 . 1 1 136 136 LYS HA H 136 4.362 4.362 4.155 0.207 25439 7436 1 10 . 1 1 136 136 LYS CA C 136 56.575 56.575 56.499 0.076 25439 7437 1 10 . 1 1 136 136 LYS CB C 136 33.629 33.629 33.339 0.290 25439 7438 1 10 . 1 1 136 136 LYS H H 136 7.682 7.682 8.276 -0.594 25439 7439 1 10 . 1 1 137 137 GLY N N 137 109.349 109.349 106.084 3.265 25439 7440 1 10 . 1 1 137 137 GLY CA C 137 46.358 46.358 45.117 1.241 25439 7441 1 10 . 1 1 137 137 GLY H H 137 8.064 8.064 8.154 -0.090 25439 7442 1 10 . 1 1 138 138 THR N N 138 112.870 112.870 112.868 0.002 25439 7443 1 10 . 1 1 138 138 THR HA H 138 4.735 4.735 4.618 0.117 25439 7444 1 10 . 1 1 138 138 THR CA C 138 59.308 59.308 60.470 -1.162 25439 7445 1 10 . 1 1 138 138 THR CB C 138 70.755 70.755 69.918 0.837 25439 7446 1 10 . 1 1 138 138 THR H H 138 8.111 8.111 7.827 0.284 25439 7447 1 10 . 1 1 139 139 GLN N N 139 118.177 118.177 119.128 -0.951 25439 7448 1 10 . 1 1 139 139 GLN HA H 139 4.609 4.609 4.642 -0.033 25439 7449 1 10 . 1 1 139 139 GLN CA C 139 54.435 54.435 55.385 -0.950 25439 7450 1 10 . 1 1 139 139 GLN CB C 139 30.777 30.777 30.973 -0.196 25439 7451 1 10 . 1 1 139 139 GLN H H 139 8.227 8.227 8.408 -0.181 25439 7452 1 10 . 1 1 140 140 VAL N N 140 123.601 123.601 122.357 1.244 25439 7453 1 10 . 1 1 140 140 VAL HA H 140 3.790 3.790 4.435 -0.645 25439 7454 1 10 . 1 1 140 140 VAL CA C 140 63.934 63.934 61.171 2.763 25439 7455 1 10 . 1 1 140 140 VAL CB C 140 32.154 32.154 33.475 -1.321 25439 7456 1 10 . 1 1 140 140 VAL H H 140 8.839 8.839 8.264 0.575 25439 7457 1 10 . 1 1 141 141 SER HA H 141 4.524 4.524 4.561 -0.037 25439 7458 1 10 . 1 1 141 141 SER CA C 141 57.841 57.841 57.926 -0.085 25439 7459 1 10 . 1 1 141 141 SER CB C 141 64.174 64.174 63.399 0.775 25439 7460 1 10 . 1 1 142 142 PHE N N 142 123.726 123.726 124.903 -1.177 25439 7461 1 10 . 1 1 142 142 PHE HA H 142 4.458 4.458 4.633 -0.175 25439 7462 1 10 . 1 1 142 142 PHE CA C 142 58.673 58.673 58.150 0.523 25439 7463 1 10 . 1 1 142 142 PHE CB C 142 40.055 40.055 41.008 -0.953 25439 7464 1 10 . 1 1 142 142 PHE H H 142 7.534 7.534 8.105 -0.571 25439 7465 1 10 . 1 1 143 143 HIS N N 143 126.548 126.548 118.713 7.835 25439 7466 1 10 . 1 1 143 143 HIS HA H 143 4.336 4.336 4.324 0.012 25439 7467 1 10 . 1 1 143 143 HIS CA C 143 56.837 56.837 55.905 0.932 25439 7468 1 10 . 1 1 143 143 HIS CB C 143 31.949 31.949 32.264 -0.315 25439 7469 1 10 . 1 1 143 143 HIS H H 143 8.308 8.308 7.236 1.072 25439 7470 1 10 . 1 1 144 144 GLN N N 144 115.094 115.094 116.230 -1.136 25439 7471 1 10 . 1 1 144 144 GLN HA H 144 4.433 4.433 4.553 -0.120 25439 7472 1 10 . 1 1 144 144 GLN CA C 144 54.210 54.210 53.198 1.012 25439 7473 1 10 . 1 1 144 144 GLN CB C 144 32.925 32.925 31.856 1.069 25439 7474 1 10 . 1 1 144 144 GLN H H 144 7.203 7.203 6.973 0.230 25439 7475 1 10 . 1 1 145 145 CYS N N 145 123.088 123.088 117.851 5.237 25439 7476 1 10 . 1 1 145 145 CYS HA H 145 4.961 4.961 5.089 -0.128 25439 7477 1 10 . 1 1 145 145 CYS CA C 145 57.978 57.978 56.705 1.273 25439 7478 1 10 . 1 1 145 145 CYS CB C 145 33.555 33.555 29.986 3.569 25439 7479 1 10 . 1 1 145 145 CYS H H 145 8.668 8.668 8.386 0.282 25439 7480 1 10 . 1 1 146 146 VAL N N 146 113.265 113.265 117.330 -4.065 25439 7481 1 10 . 1 1 146 146 VAL HA H 146 4.238 4.238 4.113 0.125 25439 7482 1 10 . 1 1 146 146 VAL CA C 146 64.001 64.001 65.062 -1.061 25439 7483 1 10 . 1 1 146 146 VAL CB C 146 32.157 32.157 32.007 0.150 25439 7484 1 10 . 1 1 146 146 VAL H H 146 8.198 8.198 8.211 -0.013 25439 7485 1 10 . 1 1 147 147 HIS N N 147 120.556 120.556 118.386 2.170 25439 7486 1 10 . 1 1 147 147 HIS HA H 147 4.604 4.604 4.330 0.274 25439 7487 1 10 . 1 1 147 147 HIS CA C 147 58.708 58.708 58.005 0.703 25439 7488 1 10 . 1 1 147 147 HIS CB C 147 32.204 32.204 29.398 2.806 25439 7489 1 10 . 1 1 147 147 HIS H H 147 7.151 7.151 8.249 -1.098 25439 7490 1 10 . 1 1 148 148 CYS N N 148 112.110 112.110 113.161 -1.051 25439 7491 1 10 . 1 1 148 148 CYS HA H 148 4.889 4.889 4.561 0.328 25439 7492 1 10 . 1 1 148 148 CYS CA C 148 57.952 57.952 55.755 2.197 25439 7493 1 10 . 1 1 148 148 CYS CB C 148 32.956 32.956 30.058 2.898 25439 7494 1 10 . 1 1 148 148 CYS H H 148 7.413 7.413 7.149 0.264 25439 7495 1 10 . 1 1 149 149 GLY N N 149 112.797 112.797 108.305 4.492 25439 7496 1 10 . 1 1 149 149 GLY CA C 149 45.327 45.327 44.540 0.787 25439 7497 1 10 . 1 1 149 149 GLY H H 149 6.949 6.949 8.378 -1.429 25439 7498 1 10 . 1 1 150 150 CYS N N 150 127.277 127.277 120.378 6.899 25439 7499 1 10 . 1 1 150 150 CYS HA H 150 3.932 3.932 4.535 -0.603 25439 7500 1 10 . 1 1 150 150 CYS CA C 150 61.362 61.362 57.389 3.973 25439 7501 1 10 . 1 1 150 150 CYS CB C 150 30.632 30.632 29.671 0.961 25439 7502 1 10 . 1 1 150 150 CYS H H 150 8.240 8.240 7.113 1.127 25439 7503 1 10 . 1 1 151 151 ARG N N 151 125.476 125.476 127.343 -1.867 25439 7504 1 10 . 1 1 151 151 ARG HA H 151 4.775 4.775 4.320 0.455 25439 7505 1 10 . 1 1 151 151 ARG CA C 151 56.164 56.164 54.746 1.418 25439 7506 1 10 . 1 1 151 151 ARG CB C 151 30.354 30.354 28.697 1.657 25439 7507 1 10 . 1 1 151 151 ARG H H 151 8.492 8.492 8.624 -0.132 25439 7508 1 10 . 1 1 152 152 GLY N N 152 117.275 117.275 108.301 8.974 25439 7509 1 10 . 1 1 152 152 GLY CA C 152 45.523 45.523 45.633 -0.110 25439 7510 1 10 . 1 1 152 152 GLY H H 152 9.812 9.812 7.670 2.142 25439 7511 1 10 . 1 1 153 153 CYS N N 153 126.187 126.187 118.775 7.412 25439 7512 1 10 . 1 1 153 153 CYS HA H 153 4.842 4.842 4.836 0.006 25439 7513 1 10 . 1 1 153 153 CYS CA C 153 57.130 57.130 55.794 1.336 25439 7514 1 10 . 1 1 153 153 CYS CB C 153 31.368 31.368 28.304 3.064 25439 7515 1 10 . 1 1 153 153 CYS H H 153 8.930 8.930 8.138 0.792 25439 7516 1 10 . 1 1 154 154 ALA N N 154 125.869 125.869 126.010 -0.141 25439 7517 1 10 . 1 1 154 154 ALA HA H 154 4.159 4.159 5.011 -0.852 25439 7518 1 10 . 1 1 154 154 ALA CA C 154 53.187 53.187 51.567 1.620 25439 7519 1 10 . 1 1 154 154 ALA CB C 154 18.937 18.937 21.628 -2.691 25439 7520 1 10 . 1 1 154 154 ALA H H 154 8.616 8.616 8.320 0.296 25439 7521 1 10 . 1 1 155 155 SER N N 155 116.724 116.724 117.105 -0.381 25439 7522 1 10 . 1 1 155 155 SER HA H 155 4.283 4.283 4.474 -0.191 25439 7523 1 10 . 1 1 155 155 SER CA C 155 60.136 60.136 60.108 0.028 25439 7524 1 10 . 1 1 155 155 SER CB C 155 63.575 63.575 64.078 -0.503 25439 7525 1 10 . 1 1 155 155 SER H H 155 9.358 9.358 8.892 0.466 25439 7526 1 10 . 1 1 156 156 THR N N 156 111.893 111.893 114.785 -2.892 25439 7527 1 10 . 1 1 156 156 THR HA H 156 4.358 4.358 4.081 0.277 25439 7528 1 10 . 1 1 156 156 THR CA C 156 61.264 61.264 64.282 -3.018 25439 7529 1 10 . 1 1 156 156 THR CB C 156 69.999 69.999 68.710 1.289 25439 7530 1 10 . 1 1 156 156 THR H H 156 7.638 7.638 8.165 -0.527 25439 7531 1 11 . 1 1 0 0 GLY CA C 0 43.750 43.750 44.714 -0.964 25439 7532 1 11 . 1 1 1 1 SER N N 1 117.201 117.201 116.514 0.687 25439 7533 1 11 . 1 1 1 1 SER HA H 1 4.809 4.809 4.729 0.080 25439 7534 1 11 . 1 1 1 1 SER CA C 1 56.525 56.525 56.105 0.420 25439 7535 1 11 . 1 1 1 1 SER CB C 1 63.385 63.385 64.377 -0.992 25439 7536 1 11 . 1 1 1 1 SER H H 1 8.381 8.381 8.262 0.119 25439 7537 1 11 . 1 1 2 2 PRO HA H 2 4.468 4.468 4.532 -0.064 25439 7538 1 11 . 1 1 2 2 PRO CA C 2 63.292 63.292 62.877 0.415 25439 7539 1 11 . 1 1 2 2 PRO CB C 2 32.174 32.174 32.312 -0.138 25439 7540 1 11 . 1 1 3 3 ARG N N 3 121.649 121.649 119.109 2.540 25439 7541 1 11 . 1 1 3 3 ARG HA H 3 4.324 4.324 4.589 -0.265 25439 7542 1 11 . 1 1 3 3 ARG CA C 3 56.226 56.226 55.916 0.310 25439 7543 1 11 . 1 1 3 3 ARG CB C 3 30.732 30.732 31.855 -1.123 25439 7544 1 11 . 1 1 3 3 ARG H H 3 8.428 8.428 8.357 0.071 25439 7545 1 11 . 1 1 4 4 ILE N N 4 122.500 122.500 125.847 -3.347 25439 7546 1 11 . 1 1 4 4 ILE HA H 4 4.181 4.181 4.260 -0.079 25439 7547 1 11 . 1 1 4 4 ILE CA C 4 60.943 60.943 61.288 -0.344 25439 7548 1 11 . 1 1 4 4 ILE CB C 4 38.751 38.751 38.119 0.632 25439 7549 1 11 . 1 1 4 4 ILE H H 4 8.165 8.165 8.513 -0.348 25439 7550 1 11 . 1 1 5 5 LYS N N 5 126.237 126.237 121.723 4.514 25439 7551 1 11 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.626 -0.224 25439 7552 1 11 . 1 1 5 5 LYS CA C 5 56.422 56.422 55.798 0.624 25439 7553 1 11 . 1 1 5 5 LYS CB C 5 33.130 33.130 33.922 -0.792 25439 7554 1 11 . 1 1 5 5 LYS H H 5 8.500 8.500 7.786 0.714 25439 7555 1 11 . 1 1 6 6 THR N N 6 116.495 116.495 115.245 1.250 25439 7556 1 11 . 1 1 6 6 THR HA H 6 4.323 4.323 4.360 -0.037 25439 7557 1 11 . 1 1 6 6 THR CA C 6 61.918 61.918 62.359 -0.441 25439 7558 1 11 . 1 1 6 6 THR CB C 6 69.963 69.963 68.987 0.976 25439 7559 1 11 . 1 1 6 6 THR H H 6 8.194 8.194 8.209 -0.015 25439 7560 1 11 . 1 1 7 7 ARG N N 7 124.128 124.128 121.853 2.275 25439 7561 1 11 . 1 1 7 7 ARG HA H 7 4.396 4.396 4.083 0.313 25439 7562 1 11 . 1 1 7 7 ARG CA C 7 56.128 56.128 56.862 -0.734 25439 7563 1 11 . 1 1 7 7 ARG CB C 7 30.953 30.953 30.608 0.345 25439 7564 1 11 . 1 1 7 7 ARG H H 7 8.458 8.458 8.239 0.219 25439 7565 1 11 . 1 1 8 8 ARG N N 8 123.384 123.384 122.857 0.527 25439 7566 1 11 . 1 1 8 8 ARG HA H 8 4.424 4.424 4.575 -0.151 25439 7567 1 11 . 1 1 8 8 ARG CA C 8 56.011 56.011 55.615 0.396 25439 7568 1 11 . 1 1 8 8 ARG CB C 8 31.058 31.058 31.394 -0.336 25439 7569 1 11 . 1 1 8 8 ARG H H 8 8.526 8.526 8.491 0.035 25439 7570 1 11 . 1 1 9 9 SER N N 9 118.446 118.446 116.121 2.325 25439 7571 1 11 . 1 1 9 9 SER HA H 9 4.473 4.473 4.661 -0.188 25439 7572 1 11 . 1 1 9 9 SER CA C 9 58.568 58.568 59.060 -0.492 25439 7573 1 11 . 1 1 9 9 SER CB C 9 63.986 63.986 63.954 0.032 25439 7574 1 11 . 1 1 9 9 SER H H 9 8.450 8.450 8.515 -0.065 25439 7575 1 11 . 1 1 10 10 LYS N N 10 124.117 124.117 122.293 1.824 25439 7576 1 11 . 1 1 10 10 LYS HA H 10 4.673 4.673 4.728 -0.055 25439 7577 1 11 . 1 1 10 10 LYS CA C 10 54.412 54.412 54.388 0.024 25439 7578 1 11 . 1 1 10 10 LYS CB C 10 32.693 32.693 33.472 -0.779 25439 7579 1 11 . 1 1 10 10 LYS H H 10 8.426 8.426 7.815 0.611 25439 7580 1 11 . 1 1 11 11 PRO HA H 11 4.360 4.360 4.412 -0.052 25439 7581 1 11 . 1 1 11 11 PRO CA C 11 62.861 62.861 62.667 0.194 25439 7582 1 11 . 1 1 11 11 PRO CB C 11 32.106 32.106 31.977 0.129 25439 7583 1 11 . 1 1 12 12 ALA N N 12 124.420 124.420 120.706 3.714 25439 7584 1 11 . 1 1 12 12 ALA HA H 12 2.889 2.889 2.744 0.145 25439 7585 1 11 . 1 1 12 12 ALA CA C 12 49.735 49.735 50.821 -1.085 25439 7586 1 11 . 1 1 12 12 ALA CB C 12 18.066 18.066 16.463 1.603 25439 7587 1 11 . 1 1 12 12 ALA H H 12 7.890 7.890 7.804 0.086 25439 7588 1 11 . 1 1 13 13 PRO HA H 13 4.207 4.207 4.434 -0.227 25439 7589 1 11 . 1 1 13 13 PRO CA C 13 62.111 62.111 61.666 0.445 25439 7590 1 11 . 1 1 13 13 PRO CB C 13 32.582 32.582 32.470 0.112 25439 7591 1 11 . 1 1 14 14 ASP N N 14 119.535 119.535 120.344 -0.809 25439 7592 1 11 . 1 1 14 14 ASP HA H 14 4.379 4.379 4.296 0.083 25439 7593 1 11 . 1 1 14 14 ASP CA C 14 56.427 56.427 57.703 -1.276 25439 7594 1 11 . 1 1 14 14 ASP CB C 14 41.177 41.177 40.527 0.650 25439 7595 1 11 . 1 1 14 14 ASP H H 14 8.206 8.206 8.733 -0.527 25439 7596 1 11 . 1 1 15 15 GLY N N 15 113.273 113.273 107.915 5.358 25439 7597 1 11 . 1 1 15 15 GLY CA C 15 45.146 45.146 46.683 -1.537 25439 7598 1 11 . 1 1 15 15 GLY H H 15 8.723 8.723 8.495 0.228 25439 7599 1 11 . 1 1 16 16 PHE N N 16 123.113 123.113 122.639 0.474 25439 7600 1 11 . 1 1 16 16 PHE HA H 16 4.125 4.125 4.231 -0.106 25439 7601 1 11 . 1 1 16 16 PHE CA C 16 60.715 60.715 59.508 1.207 25439 7602 1 11 . 1 1 16 16 PHE CB C 16 39.639 39.639 39.030 0.609 25439 7603 1 11 . 1 1 16 16 PHE H H 16 8.127 8.127 8.316 -0.189 25439 7604 1 11 . 1 1 17 17 GLU N N 17 115.695 115.695 119.383 -3.688 25439 7605 1 11 . 1 1 17 17 GLU HA H 17 3.768 3.768 3.824 -0.056 25439 7606 1 11 . 1 1 17 17 GLU CA C 17 59.234 59.234 59.532 -0.298 25439 7607 1 11 . 1 1 17 17 GLU CB C 17 28.495 28.495 29.182 -0.687 25439 7608 1 11 . 1 1 17 17 GLU H H 17 9.088 9.088 8.020 1.068 25439 7609 1 11 . 1 1 18 18 LYS N N 18 115.887 115.887 117.341 -1.454 25439 7610 1 11 . 1 1 18 18 LYS HA H 18 4.165 4.165 4.068 0.097 25439 7611 1 11 . 1 1 18 18 LYS CA C 18 58.249 58.249 58.539 -0.290 25439 7612 1 11 . 1 1 18 18 LYS CB C 18 32.725 32.725 32.729 -0.004 25439 7613 1 11 . 1 1 18 18 LYS H H 18 7.285 7.285 7.821 -0.536 25439 7614 1 11 . 1 1 19 19 ILE N N 19 110.277 110.277 110.517 -0.240 25439 7615 1 11 . 1 1 19 19 ILE HA H 19 4.722 4.722 4.706 0.016 25439 7616 1 11 . 1 1 19 19 ILE CA C 19 61.093 61.093 59.928 1.165 25439 7617 1 11 . 1 1 19 19 ILE CB C 19 39.139 39.139 38.264 0.875 25439 7618 1 11 . 1 1 19 19 ILE H H 19 7.031 7.031 7.505 -0.474 25439 7619 1 11 . 1 1 20 20 LYS N N 20 124.540 124.540 122.685 1.855 25439 7620 1 11 . 1 1 20 20 LYS HA H 20 3.603 3.603 3.778 -0.175 25439 7621 1 11 . 1 1 20 20 LYS CA C 20 60.917 60.917 59.790 1.127 25439 7622 1 11 . 1 1 20 20 LYS CB C 20 30.210 30.210 30.470 -0.260 25439 7623 1 11 . 1 1 20 20 LYS H H 20 7.666 7.666 7.487 0.179 25439 7624 1 11 . 1 1 21 21 PRO HA H 21 4.292 4.292 4.596 -0.304 25439 7625 1 11 . 1 1 21 21 PRO CA C 21 66.990 66.990 65.196 1.794 25439 7626 1 11 . 1 1 21 21 PRO CB C 21 30.779 30.779 31.492 -0.714 25439 7627 1 11 . 1 1 22 22 THR N N 22 114.917 114.917 115.586 -0.669 25439 7628 1 11 . 1 1 22 22 THR HA H 22 3.866 3.866 4.075 -0.209 25439 7629 1 11 . 1 1 22 22 THR CA C 22 66.575 66.575 66.643 -0.068 25439 7630 1 11 . 1 1 22 22 THR CB C 22 68.731 68.731 68.191 0.540 25439 7631 1 11 . 1 1 22 22 THR H H 22 7.331 7.331 8.372 -1.041 25439 7632 1 11 . 1 1 23 23 LEU N N 23 120.152 120.152 120.239 -0.087 25439 7633 1 11 . 1 1 23 23 LEU HA H 23 4.397 4.397 3.995 0.402 25439 7634 1 11 . 1 1 23 23 LEU CA C 23 58.740 58.740 57.782 0.958 25439 7635 1 11 . 1 1 23 23 LEU CB C 23 40.489 40.489 41.727 -1.238 25439 7636 1 11 . 1 1 23 23 LEU H H 23 7.991 7.991 7.500 0.491 25439 7637 1 11 . 1 1 24 24 THR N N 24 119.365 119.365 113.759 5.606 25439 7638 1 11 . 1 1 24 24 THR HA H 24 4.095 4.095 3.929 0.166 25439 7639 1 11 . 1 1 24 24 THR CA C 24 66.834 66.834 66.914 -0.080 25439 7640 1 11 . 1 1 24 24 THR CB C 24 68.614 68.614 68.427 0.187 25439 7641 1 11 . 1 1 24 24 THR H H 24 9.175 9.175 7.495 1.679 25439 7642 1 11 . 1 1 25 25 ASP N N 25 122.865 122.865 121.496 1.369 25439 7643 1 11 . 1 1 25 25 ASP HA H 25 4.483 4.483 4.331 0.152 25439 7644 1 11 . 1 1 25 25 ASP CA C 25 58.158 58.158 57.218 0.940 25439 7645 1 11 . 1 1 25 25 ASP CB C 25 40.329 40.329 40.734 -0.405 25439 7646 1 11 . 1 1 25 25 ASP H H 25 7.714 7.714 7.665 0.049 25439 7647 1 11 . 1 1 26 26 PHE N N 26 116.182 116.182 118.017 -1.835 25439 7648 1 11 . 1 1 26 26 PHE HA H 26 4.457 4.457 4.161 0.296 25439 7649 1 11 . 1 1 26 26 PHE CA C 26 62.531 62.531 61.758 0.773 25439 7650 1 11 . 1 1 26 26 PHE CB C 26 39.468 39.468 38.870 0.598 25439 7651 1 11 . 1 1 26 26 PHE H H 26 7.816 7.816 7.860 -0.044 25439 7652 1 11 . 1 1 27 27 GLU N N 27 120.107 120.107 118.470 1.637 25439 7653 1 11 . 1 1 27 27 GLU HA H 27 4.113 4.113 4.076 0.037 25439 7654 1 11 . 1 1 27 27 GLU CA C 27 59.852 59.852 59.426 0.426 25439 7655 1 11 . 1 1 27 27 GLU CB C 27 29.692 29.692 29.090 0.602 25439 7656 1 11 . 1 1 27 27 GLU H H 27 8.068 8.068 7.963 0.105 25439 7657 1 11 . 1 1 28 28 ILE N N 28 121.494 121.494 119.096 2.398 25439 7658 1 11 . 1 1 28 28 ILE HA H 28 3.718 3.718 3.886 -0.168 25439 7659 1 11 . 1 1 28 28 ILE CA C 28 65.002 65.002 64.416 0.586 25439 7660 1 11 . 1 1 28 28 ILE CB C 28 38.023 38.023 38.115 -0.092 25439 7661 1 11 . 1 1 28 28 ILE H H 28 8.531 8.531 7.621 0.910 25439 7662 1 11 . 1 1 29 29 GLN N N 29 118.941 118.941 120.160 -1.219 25439 7663 1 11 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.134 0.046 25439 7664 1 11 . 1 1 29 29 GLN CA C 29 59.507 59.507 58.441 1.066 25439 7665 1 11 . 1 1 29 29 GLN CB C 29 29.783 29.783 28.343 1.440 25439 7666 1 11 . 1 1 29 29 GLN H H 29 8.117 8.117 7.587 0.530 25439 7667 1 11 . 1 1 30 30 LEU N N 30 121.724 121.724 120.454 1.270 25439 7668 1 11 . 1 1 30 30 LEU HA H 30 4.032 4.032 4.135 -0.103 25439 7669 1 11 . 1 1 30 30 LEU CA C 30 58.333 58.333 57.761 0.572 25439 7670 1 11 . 1 1 30 30 LEU CB C 30 42.339 42.339 42.062 0.278 25439 7671 1 11 . 1 1 30 30 LEU H H 30 8.677 8.677 8.771 -0.094 25439 7672 1 11 . 1 1 31 31 ARG N N 31 120.629 120.629 118.807 1.822 25439 7673 1 11 . 1 1 31 31 ARG HA H 31 4.105 4.105 4.018 0.087 25439 7674 1 11 . 1 1 31 31 ARG CA C 31 59.340 59.340 59.293 0.047 25439 7675 1 11 . 1 1 31 31 ARG CB C 31 30.044 30.044 29.391 0.653 25439 7676 1 11 . 1 1 31 31 ARG H H 31 8.227 8.227 7.866 0.361 25439 7677 1 11 . 1 1 32 32 ASP N N 32 120.233 120.233 120.818 -0.585 25439 7678 1 11 . 1 1 32 32 ASP HA H 32 4.484 4.484 4.420 0.064 25439 7679 1 11 . 1 1 32 32 ASP CA C 32 57.199 57.199 57.407 -0.208 25439 7680 1 11 . 1 1 32 32 ASP CB C 32 40.202 40.202 40.631 -0.429 25439 7681 1 11 . 1 1 32 32 ASP H H 32 8.407 8.407 7.708 0.699 25439 7682 1 11 . 1 1 33 33 ALA N N 33 121.939 121.939 122.613 -0.674 25439 7683 1 11 . 1 1 33 33 ALA HA H 33 4.321 4.321 3.939 0.382 25439 7684 1 11 . 1 1 33 33 ALA CA C 33 54.207 54.207 55.234 -1.027 25439 7685 1 11 . 1 1 33 33 ALA CB C 33 18.738 18.738 18.338 0.400 25439 7686 1 11 . 1 1 33 33 ALA H H 33 8.057 8.057 7.550 0.507 25439 7687 1 11 . 1 1 34 34 GLN N N 34 114.736 114.736 117.436 -2.700 25439 7688 1 11 . 1 1 34 34 GLN HA H 34 4.248 4.248 4.040 0.208 25439 7689 1 11 . 1 1 34 34 GLN CA C 34 56.567 56.567 58.976 -2.409 25439 7690 1 11 . 1 1 34 34 GLN CB C 34 29.743 29.743 28.686 1.057 25439 7691 1 11 . 1 1 34 34 GLN H H 34 7.746 7.746 8.012 -0.266 25439 7692 1 11 . 1 1 35 35 LYS N N 35 120.534 120.534 118.256 2.278 25439 7693 1 11 . 1 1 35 35 LYS HA H 35 4.232 4.232 4.294 -0.062 25439 7694 1 11 . 1 1 35 35 LYS CA C 35 57.427 57.427 58.087 -0.660 25439 7695 1 11 . 1 1 35 35 LYS CB C 35 32.887 32.887 32.772 0.115 25439 7696 1 11 . 1 1 35 35 LYS H H 35 7.570 7.570 7.766 -0.196 25439 7697 1 11 . 1 1 36 36 ASP N N 36 120.943 120.943 120.635 0.308 25439 7698 1 11 . 1 1 36 36 ASP HA H 36 4.595 4.595 4.359 0.236 25439 7699 1 11 . 1 1 36 36 ASP CA C 36 54.983 54.983 56.730 -1.747 25439 7700 1 11 . 1 1 36 36 ASP CB C 36 41.129 41.129 40.799 0.330 25439 7701 1 11 . 1 1 36 36 ASP H H 36 8.375 8.375 8.476 -0.101 25439 7702 1 11 . 1 1 37 37 LYS N N 37 122.598 122.598 118.358 4.240 25439 7703 1 11 . 1 1 37 37 LYS HA H 37 4.365 4.365 4.010 0.355 25439 7704 1 11 . 1 1 37 37 LYS CA C 37 56.725 56.725 57.806 -1.081 25439 7705 1 11 . 1 1 37 37 LYS CB C 37 32.823 32.823 32.797 0.026 25439 7706 1 11 . 1 1 37 37 LYS H H 37 8.446 8.446 7.736 0.710 25439 7707 1 11 . 1 1 38 38 SER N N 38 115.849 115.849 112.476 3.373 25439 7708 1 11 . 1 1 38 38 SER HA H 38 4.423 4.423 4.125 0.298 25439 7709 1 11 . 1 1 38 38 SER CA C 38 59.193 59.193 59.022 0.171 25439 7710 1 11 . 1 1 38 38 SER CB C 38 63.744 63.744 63.256 0.488 25439 7711 1 11 . 1 1 38 38 SER H H 38 8.392 8.392 7.789 0.603 25439 7712 1 11 . 1 1 39 39 SER N N 39 117.258 117.258 115.360 1.898 25439 7713 1 11 . 1 1 39 39 SER HA H 39 4.445 4.445 4.594 -0.149 25439 7714 1 11 . 1 1 39 39 SER CA C 39 58.933 58.933 57.470 1.463 25439 7715 1 11 . 1 1 39 39 SER CB C 39 63.711 63.711 63.847 -0.136 25439 7716 1 11 . 1 1 39 39 SER H H 39 8.283 8.283 8.219 0.064 25439 7717 1 11 . 1 1 40 40 LYS N N 40 122.427 122.427 125.736 -3.309 25439 7718 1 11 . 1 1 40 40 LYS HA H 40 4.321 4.321 4.005 0.316 25439 7719 1 11 . 1 1 40 40 LYS CA C 40 56.847 56.847 57.051 -0.204 25439 7720 1 11 . 1 1 40 40 LYS CB C 40 32.764 32.764 31.868 0.896 25439 7721 1 11 . 1 1 40 40 LYS H H 40 8.263 8.263 8.774 -0.511 25439 7722 1 11 . 1 1 41 41 LEU N N 41 121.281 121.281 121.666 -0.385 25439 7723 1 11 . 1 1 41 41 LEU HA H 41 4.308 4.308 4.479 -0.171 25439 7724 1 11 . 1 1 41 41 LEU CA C 41 55.335 55.335 56.124 -0.789 25439 7725 1 11 . 1 1 41 41 LEU CB C 41 42.212 42.212 43.029 -0.817 25439 7726 1 11 . 1 1 41 41 LEU H H 41 8.068 8.068 8.321 -0.253 25439 7727 1 11 . 1 1 42 42 ALA N N 42 123.964 123.964 122.938 1.026 25439 7728 1 11 . 1 1 42 42 ALA HA H 42 4.274 4.274 4.601 -0.327 25439 7729 1 11 . 1 1 42 42 ALA CA C 42 52.851 52.851 51.709 1.141 25439 7730 1 11 . 1 1 42 42 ALA CB C 42 19.135 19.135 19.982 -0.847 25439 7731 1 11 . 1 1 42 42 ALA H H 42 8.111 8.111 8.141 -0.030 25439 7732 1 11 . 1 1 43 43 ALA N N 43 122.146 122.146 121.958 0.188 25439 7733 1 11 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.529 -0.232 25439 7734 1 11 . 1 1 43 43 ALA CA C 43 52.727 52.727 52.414 0.313 25439 7735 1 11 . 1 1 43 43 ALA CB C 43 19.318 19.318 18.483 0.835 25439 7736 1 11 . 1 1 43 43 ALA H H 43 8.101 8.101 8.235 -0.134 25439 7737 1 11 . 1 1 44 44 LYS N N 44 119.454 119.454 119.513 -0.059 25439 7738 1 11 . 1 1 44 44 LYS HA H 44 4.349 4.349 4.446 -0.097 25439 7739 1 11 . 1 1 44 44 LYS CA C 44 56.267 56.267 56.617 -0.350 25439 7740 1 11 . 1 1 44 44 LYS CB C 44 32.825 32.825 32.883 -0.058 25439 7741 1 11 . 1 1 44 44 LYS H H 44 8.198 8.198 8.022 0.176 25439 7742 1 11 . 1 1 45 45 SER N N 45 116.660 116.660 116.227 0.433 25439 7743 1 11 . 1 1 45 45 SER HA H 45 4.368 4.368 4.452 -0.084 25439 7744 1 11 . 1 1 45 45 SER CA C 45 58.477 58.477 59.689 -1.212 25439 7745 1 11 . 1 1 45 45 SER CB C 45 64.063 64.063 63.898 0.165 25439 7746 1 11 . 1 1 45 45 SER H H 45 8.251 8.251 8.437 -0.186 25439 7747 1 11 . 1 1 46 46 ASN N N 46 120.516 120.516 119.479 1.037 25439 7748 1 11 . 1 1 46 46 ASN HA H 46 4.361 4.361 4.130 0.231 25439 7749 1 11 . 1 1 46 46 ASN CA C 46 54.657 54.657 56.225 -1.568 25439 7750 1 11 . 1 1 46 46 ASN CB C 46 37.649 37.649 37.799 -0.150 25439 7751 1 11 . 1 1 46 46 ASN H H 46 8.498 8.498 8.538 -0.040 25439 7752 1 11 . 1 1 47 47 GLU N N 47 117.964 117.964 116.822 1.142 25439 7753 1 11 . 1 1 47 47 GLU HA H 47 3.350 3.350 3.087 0.263 25439 7754 1 11 . 1 1 47 47 GLU CA C 47 59.213 59.213 59.258 -0.045 25439 7755 1 11 . 1 1 47 47 GLU CB C 47 28.998 28.998 29.071 -0.073 25439 7756 1 11 . 1 1 47 47 GLU H H 47 8.016 8.016 8.159 -0.143 25439 7757 1 11 . 1 1 48 48 GLN N N 48 119.468 119.468 119.396 0.072 25439 7758 1 11 . 1 1 48 48 GLN HA H 48 4.250 4.250 4.223 0.027 25439 7759 1 11 . 1 1 48 48 GLN CA C 48 58.529 58.529 58.285 0.244 25439 7760 1 11 . 1 1 48 48 GLN CB C 48 28.902 28.902 28.248 0.653 25439 7761 1 11 . 1 1 48 48 GLN H H 48 7.892 7.892 7.792 0.100 25439 7762 1 11 . 1 1 49 49 LEU N N 49 120.145 120.145 120.366 -0.221 25439 7763 1 11 . 1 1 49 49 LEU HA H 49 4.232 4.232 3.953 0.279 25439 7764 1 11 . 1 1 49 49 LEU CA C 49 57.479 57.479 57.963 -0.484 25439 7765 1 11 . 1 1 49 49 LEU CB C 49 41.391 41.391 41.903 -0.512 25439 7766 1 11 . 1 1 49 49 LEU H H 49 7.699 7.699 8.162 -0.463 25439 7767 1 11 . 1 1 50 50 TRP N N 50 119.596 119.596 118.268 1.328 25439 7768 1 11 . 1 1 50 50 TRP HA H 50 4.520 4.520 4.493 0.027 25439 7769 1 11 . 1 1 50 50 TRP CA C 50 58.353 58.353 57.458 0.895 25439 7770 1 11 . 1 1 50 50 TRP CB C 50 28.880 28.880 27.901 0.979 25439 7771 1 11 . 1 1 50 50 TRP H H 50 8.385 8.385 7.815 0.570 25439 7772 1 11 . 1 1 51 51 GLU N N 51 119.362 119.362 118.650 0.712 25439 7773 1 11 . 1 1 51 51 GLU HA H 51 4.145 4.145 4.099 0.046 25439 7774 1 11 . 1 1 51 51 GLU CA C 51 60.035 60.035 59.261 0.774 25439 7775 1 11 . 1 1 51 51 GLU CB C 51 29.675 29.675 29.319 0.356 25439 7776 1 11 . 1 1 51 51 GLU H H 51 8.223 8.223 7.803 0.420 25439 7777 1 11 . 1 1 52 52 ILE N N 52 119.018 119.018 120.130 -1.112 25439 7778 1 11 . 1 1 52 52 ILE HA H 52 3.673 3.673 3.721 -0.048 25439 7779 1 11 . 1 1 52 52 ILE CA C 52 65.511 65.511 65.307 0.204 25439 7780 1 11 . 1 1 52 52 ILE CB C 52 38.532 38.532 38.185 0.347 25439 7781 1 11 . 1 1 52 52 ILE H H 52 7.801 7.801 7.632 0.169 25439 7782 1 11 . 1 1 53 53 MET N N 53 118.133 118.133 117.246 0.887 25439 7783 1 11 . 1 1 53 53 MET HA H 53 4.452 4.452 4.129 0.323 25439 7784 1 11 . 1 1 53 53 MET CA C 53 58.216 58.216 58.610 -0.394 25439 7785 1 11 . 1 1 53 53 MET CB C 53 31.838 31.838 31.973 -0.135 25439 7786 1 11 . 1 1 53 53 MET H H 53 8.411 8.411 7.627 0.784 25439 7787 1 11 . 1 1 54 54 GLN N N 54 120.855 120.855 119.396 1.459 25439 7788 1 11 . 1 1 54 54 GLN HA H 54 4.333 4.333 4.006 0.327 25439 7789 1 11 . 1 1 54 54 GLN CA C 54 59.004 59.004 58.370 0.634 25439 7790 1 11 . 1 1 54 54 GLN CB C 54 27.824 27.824 28.918 -1.094 25439 7791 1 11 . 1 1 54 54 GLN H H 54 8.860 8.860 8.448 0.412 25439 7792 1 11 . 1 1 55 55 LEU N N 55 122.788 122.788 119.696 3.092 25439 7793 1 11 . 1 1 55 55 LEU HA H 55 4.302 4.302 4.155 0.147 25439 7794 1 11 . 1 1 55 55 LEU CA C 55 58.685 58.685 57.860 0.825 25439 7795 1 11 . 1 1 55 55 LEU CB C 55 42.695 42.695 41.878 0.817 25439 7796 1 11 . 1 1 55 55 LEU H H 55 8.298 8.298 8.090 0.208 25439 7797 1 11 . 1 1 56 56 HIS N N 56 118.426 118.426 118.149 0.277 25439 7798 1 11 . 1 1 56 56 HIS HA H 56 4.317 4.317 4.209 0.108 25439 7799 1 11 . 1 1 56 56 HIS CA C 56 60.732 60.732 60.472 0.260 25439 7800 1 11 . 1 1 56 56 HIS CB C 56 30.530 30.530 29.781 0.749 25439 7801 1 11 . 1 1 56 56 HIS H H 56 8.416 8.416 7.807 0.609 25439 7802 1 11 . 1 1 57 57 HIS N N 57 121.197 121.197 119.422 1.775 25439 7803 1 11 . 1 1 57 57 HIS HA H 57 4.318 4.318 4.566 -0.248 25439 7804 1 11 . 1 1 57 57 HIS CA C 57 60.739 60.739 58.853 1.886 25439 7805 1 11 . 1 1 57 57 HIS CB C 57 28.726 28.726 30.142 -1.416 25439 7806 1 11 . 1 1 57 57 HIS H H 57 8.608 8.608 8.304 0.304 25439 7807 1 11 . 1 1 58 58 GLN N N 58 118.739 118.739 118.414 0.325 25439 7808 1 11 . 1 1 58 58 GLN HA H 58 4.202 4.202 4.206 -0.004 25439 7809 1 11 . 1 1 58 58 GLN CA C 58 59.507 59.507 59.091 0.416 25439 7810 1 11 . 1 1 58 58 GLN CB C 58 29.111 29.111 28.591 0.520 25439 7811 1 11 . 1 1 58 58 GLN H H 58 9.206 9.206 8.226 0.980 25439 7812 1 11 . 1 1 59 59 ARG N N 59 122.498 122.498 120.450 2.048 25439 7813 1 11 . 1 1 59 59 ARG HA H 59 3.437 3.437 3.716 -0.279 25439 7814 1 11 . 1 1 59 59 ARG CA C 59 60.361 60.361 58.729 1.632 25439 7815 1 11 . 1 1 59 59 ARG H H 59 8.623 8.623 8.264 0.359 25439 7816 1 11 . 1 1 60 60 SER N N 60 114.930 114.930 115.403 -0.473 25439 7817 1 11 . 1 1 60 60 SER HA H 60 4.515 4.515 4.279 0.236 25439 7818 1 11 . 1 1 60 60 SER CA C 60 64.832 64.832 61.784 3.048 25439 7819 1 11 . 1 1 60 60 SER CB C 60 63.583 63.583 63.288 0.295 25439 7820 1 11 . 1 1 60 60 SER H H 60 7.993 7.993 8.632 -0.639 25439 7821 1 11 . 1 1 61 61 ARG N N 61 124.417 124.417 122.400 2.017 25439 7822 1 11 . 1 1 61 61 ARG HA H 61 4.204 4.204 4.060 0.144 25439 7823 1 11 . 1 1 61 61 ARG CA C 61 58.852 58.852 59.712 -0.860 25439 7824 1 11 . 1 1 61 61 ARG CB C 61 29.077 29.077 30.150 -1.073 25439 7825 1 11 . 1 1 61 61 ARG H H 61 9.569 9.569 8.712 0.857 25439 7826 1 11 . 1 1 62 62 TYR N N 62 124.484 124.484 121.123 3.361 25439 7827 1 11 . 1 1 62 62 TYR HA H 62 4.676 4.676 4.286 0.390 25439 7828 1 11 . 1 1 62 62 TYR CA C 62 61.006 61.006 62.008 -1.002 25439 7829 1 11 . 1 1 62 62 TYR CB C 62 38.392 38.392 38.703 -0.311 25439 7830 1 11 . 1 1 62 62 TYR H H 62 8.622 8.622 8.293 0.329 25439 7831 1 11 . 1 1 63 63 ILE N N 63 119.789 119.789 119.054 0.735 25439 7832 1 11 . 1 1 63 63 ILE HA H 63 3.492 3.492 3.749 -0.257 25439 7833 1 11 . 1 1 63 63 ILE CA C 63 65.693 65.693 65.683 0.010 25439 7834 1 11 . 1 1 63 63 ILE CB C 63 38.023 38.023 38.222 -0.200 25439 7835 1 11 . 1 1 63 63 ILE H H 63 7.588 7.588 8.420 -0.832 25439 7836 1 11 . 1 1 64 64 TYR N N 64 120.485 120.485 121.461 -0.976 25439 7837 1 11 . 1 1 64 64 TYR HA H 64 4.577 4.577 4.250 0.327 25439 7838 1 11 . 1 1 64 64 TYR CA C 64 61.759 61.759 62.823 -1.064 25439 7839 1 11 . 1 1 64 64 TYR CB C 64 39.772 39.772 38.512 1.260 25439 7840 1 11 . 1 1 64 64 TYR H H 64 9.166 9.166 9.184 -0.018 25439 7841 1 11 . 1 1 65 65 THR N N 65 117.072 117.072 117.464 -0.392 25439 7842 1 11 . 1 1 65 65 THR HA H 65 3.562 3.562 4.028 -0.466 25439 7843 1 11 . 1 1 65 65 THR CA C 65 67.016 67.016 68.287 -1.272 25439 7844 1 11 . 1 1 65 65 THR CB C 65 68.711 68.711 68.724 -0.013 25439 7845 1 11 . 1 1 65 65 THR H H 65 8.987 8.987 8.896 0.091 25439 7846 1 11 . 1 1 66 66 LEU N N 66 122.107 122.107 120.438 1.669 25439 7847 1 11 . 1 1 66 66 LEU HA H 66 3.782 3.782 4.297 -0.515 25439 7848 1 11 . 1 1 66 66 LEU CA C 66 58.476 58.476 58.098 0.378 25439 7849 1 11 . 1 1 66 66 LEU CB C 66 43.183 43.183 41.049 2.134 25439 7850 1 11 . 1 1 66 66 LEU H H 66 8.286 8.286 7.672 0.614 25439 7851 1 11 . 1 1 67 67 TYR N N 67 115.264 115.264 119.513 -4.249 25439 7852 1 11 . 1 1 67 67 TYR HA H 67 4.344 4.344 4.065 0.279 25439 7853 1 11 . 1 1 67 67 TYR CA C 67 60.830 60.830 61.479 -0.649 25439 7854 1 11 . 1 1 67 67 TYR CB C 67 40.376 40.376 39.427 0.949 25439 7855 1 11 . 1 1 67 67 TYR H H 67 7.983 7.983 8.257 -0.274 25439 7856 1 11 . 1 1 68 68 TYR N N 68 113.945 113.945 116.753 -2.808 25439 7857 1 11 . 1 1 68 68 TYR HA H 68 3.699 3.699 4.226 -0.527 25439 7858 1 11 . 1 1 68 68 TYR CA C 68 62.030 62.030 60.336 1.694 25439 7859 1 11 . 1 1 68 68 TYR CB C 68 38.046 38.046 38.803 -0.757 25439 7860 1 11 . 1 1 68 68 TYR H H 68 8.297 8.297 8.260 0.037 25439 7861 1 11 . 1 1 69 69 LYS N N 69 114.346 114.346 118.672 -4.326 25439 7862 1 11 . 1 1 69 69 LYS HA H 69 4.564 4.564 4.595 -0.031 25439 7863 1 11 . 1 1 69 69 LYS CA C 69 56.821 56.821 56.654 0.167 25439 7864 1 11 . 1 1 69 69 LYS CB C 69 31.980 31.980 33.711 -1.731 25439 7865 1 11 . 1 1 69 69 LYS H H 69 7.084 7.084 7.509 -0.425 25439 7866 1 11 . 1 1 70 70 ARG N N 70 114.676 114.676 119.250 -4.574 25439 7867 1 11 . 1 1 70 70 ARG HA H 70 4.251 4.251 4.120 0.131 25439 7868 1 11 . 1 1 70 70 ARG CA C 70 56.314 56.314 57.479 -1.165 25439 7869 1 11 . 1 1 70 70 ARG CB C 70 31.128 31.128 30.848 0.280 25439 7870 1 11 . 1 1 70 70 ARG H H 70 8.178 8.178 8.221 -0.043 25439 7871 1 11 . 1 1 71 71 LYS N N 71 115.371 115.371 115.674 -0.303 25439 7872 1 11 . 1 1 71 71 LYS HA H 71 4.036 4.036 3.803 0.233 25439 7873 1 11 . 1 1 71 71 LYS CA C 71 57.121 57.121 56.942 0.179 25439 7874 1 11 . 1 1 71 71 LYS CB C 71 28.897 28.897 29.994 -1.097 25439 7875 1 11 . 1 1 71 71 LYS H H 71 6.843 6.843 7.832 -0.989 25439 7876 1 11 . 1 1 72 72 ALA N N 72 117.701 117.701 120.992 -3.291 25439 7877 1 11 . 1 1 72 72 ALA HA H 72 4.395 4.395 4.458 -0.063 25439 7878 1 11 . 1 1 72 72 ALA CA C 72 52.597 52.597 51.994 0.603 25439 7879 1 11 . 1 1 72 72 ALA CB C 72 21.560 21.560 19.802 1.758 25439 7880 1 11 . 1 1 72 72 ALA H H 72 8.560 8.560 7.689 0.871 25439 7881 1 11 . 1 1 73 73 ILE N N 73 107.605 107.605 117.125 -9.520 25439 7882 1 11 . 1 1 73 73 ILE CB C 73 42.724 42.724 41.570 1.154 25439 7883 1 11 . 1 1 73 73 ILE H H 73 7.074 7.074 7.285 -0.211 25439 7884 1 11 . 1 1 74 74 SER N N 74 118.425 118.425 118.503 -0.078 25439 7885 1 11 . 1 1 74 74 SER HA H 74 4.484 4.484 4.863 -0.379 25439 7886 1 11 . 1 1 74 74 SER CA C 74 57.082 57.082 56.683 0.399 25439 7887 1 11 . 1 1 74 74 SER CB C 74 65.396 65.396 64.752 0.644 25439 7888 1 11 . 1 1 74 74 SER H H 74 8.797 8.797 8.380 0.417 25439 7889 1 11 . 1 1 75 75 LYS N N 75 121.891 121.891 126.907 -5.016 25439 7890 1 11 . 1 1 75 75 LYS HA H 75 3.851 3.851 4.253 -0.402 25439 7891 1 11 . 1 1 75 75 LYS CA C 75 59.624 59.624 59.673 -0.049 25439 7892 1 11 . 1 1 75 75 LYS CB C 75 32.368 32.368 32.523 -0.155 25439 7893 1 11 . 1 1 75 75 LYS H H 75 9.024 9.024 9.123 -0.099 25439 7894 1 11 . 1 1 76 76 ASP N N 76 115.908 115.908 119.869 -3.961 25439 7895 1 11 . 1 1 76 76 ASP HA H 76 4.423 4.423 4.381 0.042 25439 7896 1 11 . 1 1 76 76 ASP CA C 76 57.362 57.362 57.424 -0.062 25439 7897 1 11 . 1 1 76 76 ASP CB C 76 40.391 40.391 40.406 -0.015 25439 7898 1 11 . 1 1 76 76 ASP H H 76 8.161 8.161 7.752 0.409 25439 7899 1 11 . 1 1 77 77 LEU N N 77 121.705 121.705 121.410 0.295 25439 7900 1 11 . 1 1 77 77 LEU HA H 77 4.180 4.180 4.121 0.059 25439 7901 1 11 . 1 1 77 77 LEU CA C 77 57.818 57.818 57.778 0.040 25439 7902 1 11 . 1 1 77 77 LEU H H 77 8.345 8.345 7.760 0.585 25439 7903 1 11 . 1 1 78 78 TYR N N 78 121.511 121.511 119.959 1.552 25439 7904 1 11 . 1 1 78 78 TYR HA H 78 3.789 3.789 3.983 -0.194 25439 7905 1 11 . 1 1 78 78 TYR CA C 78 62.857 62.857 60.660 2.197 25439 7906 1 11 . 1 1 78 78 TYR CB C 78 38.369 38.369 37.737 0.632 25439 7907 1 11 . 1 1 78 78 TYR H H 78 8.598 8.598 8.686 -0.088 25439 7908 1 11 . 1 1 79 79 ASP N N 79 117.189 117.189 119.794 -2.605 25439 7909 1 11 . 1 1 79 79 ASP HA H 79 4.066 4.066 4.042 0.024 25439 7910 1 11 . 1 1 79 79 ASP CA C 79 57.219 57.219 57.133 0.086 25439 7911 1 11 . 1 1 79 79 ASP CB C 79 40.003 40.003 40.646 -0.643 25439 7912 1 11 . 1 1 79 79 ASP H H 79 9.106 9.106 8.568 0.538 25439 7913 1 11 . 1 1 80 80 TRP N N 80 123.400 123.400 121.885 1.515 25439 7914 1 11 . 1 1 80 80 TRP HA H 80 4.160 4.160 4.122 0.038 25439 7915 1 11 . 1 1 80 80 TRP CA C 80 62.368 62.368 62.006 0.362 25439 7916 1 11 . 1 1 80 80 TRP CB C 80 29.969 29.969 29.439 0.530 25439 7917 1 11 . 1 1 80 80 TRP H H 80 7.931 7.931 8.372 -0.441 25439 7918 1 11 . 1 1 81 81 LEU N N 81 119.674 119.674 118.852 0.822 25439 7919 1 11 . 1 1 81 81 LEU HA H 81 3.971 3.971 2.701 1.270 25439 7920 1 11 . 1 1 81 81 LEU CA C 81 58.294 58.294 57.579 0.715 25439 7921 1 11 . 1 1 81 81 LEU CB C 81 41.818 41.818 41.556 0.262 25439 7922 1 11 . 1 1 81 81 LEU H H 81 8.814 8.814 8.257 0.557 25439 7923 1 11 . 1 1 82 82 ILE N N 82 118.746 118.746 118.909 -0.163 25439 7924 1 11 . 1 1 82 82 ILE HA H 82 3.861 3.861 3.836 0.025 25439 7925 1 11 . 1 1 82 82 ILE CA C 82 62.734 62.734 64.111 -1.377 25439 7926 1 11 . 1 1 82 82 ILE CB C 82 36.236 36.236 37.943 -1.707 25439 7927 1 11 . 1 1 82 82 ILE H H 82 7.886 7.886 7.579 0.307 25439 7928 1 11 . 1 1 83 83 LYS N N 83 124.819 124.819 118.734 6.085 25439 7929 1 11 . 1 1 83 83 LYS HA H 83 3.911 3.911 4.090 -0.179 25439 7930 1 11 . 1 1 83 83 LYS CA C 83 59.643 59.643 57.973 1.670 25439 7931 1 11 . 1 1 83 83 LYS CB C 83 32.027 32.027 32.823 -0.796 25439 7932 1 11 . 1 1 83 83 LYS H H 83 8.224 8.224 7.591 0.633 25439 7933 1 11 . 1 1 84 84 GLU N N 84 115.404 115.404 117.795 -2.391 25439 7934 1 11 . 1 1 84 84 GLU HA H 84 3.841 3.841 4.315 -0.474 25439 7935 1 11 . 1 1 84 84 GLU CA C 84 55.582 55.582 54.885 0.697 25439 7936 1 11 . 1 1 84 84 GLU CB C 84 29.459 29.459 28.413 1.046 25439 7937 1 11 . 1 1 84 84 GLU H H 84 8.138 8.138 7.242 0.896 25439 7938 1 11 . 1 1 85 85 LYS N N 85 111.563 111.563 118.632 -7.069 25439 7939 1 11 . 1 1 85 85 LYS HA H 85 3.820 3.820 3.984 -0.164 25439 7940 1 11 . 1 1 85 85 LYS CA C 85 57.890 57.890 57.083 0.807 25439 7941 1 11 . 1 1 85 85 LYS CB C 85 28.005 28.005 30.442 -2.437 25439 7942 1 11 . 1 1 85 85 LYS H H 85 7.719 7.719 7.711 0.008 25439 7943 1 11 . 1 1 86 86 TYR N N 86 116.916 116.916 117.641 -0.725 25439 7944 1 11 . 1 1 86 86 TYR HA H 86 4.137 4.137 4.395 -0.258 25439 7945 1 11 . 1 1 86 86 TYR CA C 86 61.228 61.228 58.638 2.590 25439 7946 1 11 . 1 1 86 86 TYR CB C 86 39.535 39.535 40.617 -1.082 25439 7947 1 11 . 1 1 86 86 TYR H H 86 8.521 8.521 7.969 0.552 25439 7948 1 11 . 1 1 87 87 ALA N N 87 113.715 113.715 118.784 -5.069 25439 7949 1 11 . 1 1 87 87 ALA HA H 87 4.738 4.738 4.351 0.387 25439 7950 1 11 . 1 1 87 87 ALA CA C 87 49.121 49.121 50.548 -1.427 25439 7951 1 11 . 1 1 87 87 ALA CB C 87 23.295 23.295 21.585 1.710 25439 7952 1 11 . 1 1 87 87 ALA H H 87 6.959 6.959 7.514 -0.555 25439 7953 1 11 . 1 1 88 88 ASP N N 88 119.344 119.344 118.775 0.569 25439 7954 1 11 . 1 1 88 88 ASP HA H 88 4.544 4.544 4.956 -0.412 25439 7955 1 11 . 1 1 88 88 ASP CA C 88 52.714 52.714 53.205 -0.491 25439 7956 1 11 . 1 1 88 88 ASP CB C 88 41.845 41.845 43.751 -1.906 25439 7957 1 11 . 1 1 88 88 ASP H H 88 7.870 7.870 8.674 -0.804 25439 7958 1 11 . 1 1 89 89 LYS N N 89 125.312 125.312 125.830 -0.518 25439 7959 1 11 . 1 1 89 89 LYS HA H 89 3.834 3.834 4.209 -0.375 25439 7960 1 11 . 1 1 89 89 LYS CA C 89 59.409 59.409 59.459 -0.050 25439 7961 1 11 . 1 1 89 89 LYS CB C 89 32.848 32.848 32.827 0.021 25439 7962 1 11 . 1 1 89 89 LYS H H 89 8.467 8.467 8.721 -0.254 25439 7963 1 11 . 1 1 90 90 LEU N N 90 119.899 119.899 120.613 -0.714 25439 7964 1 11 . 1 1 90 90 LEU HA H 90 4.023 4.023 4.020 0.003 25439 7965 1 11 . 1 1 90 90 LEU CA C 90 57.049 57.049 58.058 -1.009 25439 7966 1 11 . 1 1 90 90 LEU CB C 90 41.099 41.099 41.693 -0.594 25439 7967 1 11 . 1 1 90 90 LEU H H 90 8.076 8.076 8.043 0.033 25439 7968 1 11 . 1 1 91 91 LEU N N 91 123.148 123.148 119.864 3.284 25439 7969 1 11 . 1 1 91 91 LEU HA H 91 3.498 3.498 3.765 -0.267 25439 7970 1 11 . 1 1 91 91 LEU CA C 91 56.971 56.971 57.716 -0.745 25439 7971 1 11 . 1 1 91 91 LEU CB C 91 41.823 41.823 41.636 0.188 25439 7972 1 11 . 1 1 91 91 LEU H H 91 7.120 7.120 7.489 -0.369 25439 7973 1 11 . 1 1 92 92 ILE N N 92 116.780 116.780 118.722 -1.942 25439 7974 1 11 . 1 1 92 92 ILE HA H 92 3.265 3.265 3.907 -0.642 25439 7975 1 11 . 1 1 92 92 ILE CA C 92 65.178 65.178 65.505 -0.327 25439 7976 1 11 . 1 1 92 92 ILE CB C 92 38.209 38.209 37.814 0.395 25439 7977 1 11 . 1 1 92 92 ILE H H 92 7.384 7.384 7.749 -0.365 25439 7978 1 11 . 1 1 93 93 ALA N N 93 117.061 117.061 122.468 -5.407 25439 7979 1 11 . 1 1 93 93 ALA HA H 93 3.930 3.930 4.043 -0.113 25439 7980 1 11 . 1 1 93 93 ALA CA C 93 54.839 54.839 55.522 -0.683 25439 7981 1 11 . 1 1 93 93 ALA CB C 93 18.125 18.125 18.130 -0.005 25439 7982 1 11 . 1 1 93 93 ALA H H 93 7.437 7.437 8.713 -1.276 25439 7983 1 11 . 1 1 94 94 LYS N N 94 116.036 116.036 118.813 -2.777 25439 7984 1 11 . 1 1 94 94 LYS HA H 94 3.803 3.803 3.498 0.305 25439 7985 1 11 . 1 1 94 94 LYS CA C 94 56.945 56.945 58.445 -1.500 25439 7986 1 11 . 1 1 94 94 LYS CB C 94 31.047 31.047 31.561 -0.514 25439 7987 1 11 . 1 1 94 94 LYS H H 94 7.012 7.012 7.707 -0.695 25439 7988 1 11 . 1 1 95 95 TRP N N 95 118.700 118.700 116.704 1.996 25439 7989 1 11 . 1 1 95 95 TRP HA H 95 4.814 4.814 4.521 0.293 25439 7990 1 11 . 1 1 95 95 TRP CA C 95 57.136 57.136 59.293 -2.157 25439 7991 1 11 . 1 1 95 95 TRP CB C 95 28.171 28.171 29.031 -0.860 25439 7992 1 11 . 1 1 95 95 TRP H H 95 7.611 7.611 7.483 0.128 25439 7993 1 11 . 1 1 96 96 ARG N N 96 113.031 113.031 116.429 -3.398 25439 7994 1 11 . 1 1 96 96 ARG HA H 96 4.233 4.233 4.229 0.004 25439 7995 1 11 . 1 1 96 96 ARG CA C 96 56.234 56.234 58.115 -1.881 25439 7996 1 11 . 1 1 96 96 ARG CB C 96 30.245 30.245 30.553 -0.308 25439 7997 1 11 . 1 1 96 96 ARG H H 96 7.066 7.066 7.531 -0.465 25439 7998 1 11 . 1 1 97 97 LYS N N 97 123.252 123.252 119.283 3.969 25439 7999 1 11 . 1 1 97 97 LYS HA H 97 4.634 4.634 4.294 0.340 25439 8000 1 11 . 1 1 97 97 LYS CA C 97 54.937 54.937 57.018 -2.081 25439 8001 1 11 . 1 1 97 97 LYS CB C 97 34.166 34.166 32.773 1.393 25439 8002 1 11 . 1 1 97 97 LYS H H 97 8.467 8.467 8.089 0.378 25439 8003 1 11 . 1 1 98 98 THR N N 98 119.993 119.993 114.692 5.301 25439 8004 1 11 . 1 1 98 98 THR HA H 98 4.224 4.224 4.419 -0.195 25439 8005 1 11 . 1 1 98 98 THR CA C 98 64.670 64.670 62.909 1.761 25439 8006 1 11 . 1 1 98 98 THR CB C 98 69.200 69.200 69.215 -0.015 25439 8007 1 11 . 1 1 98 98 THR H H 98 8.329 8.329 8.327 0.002 25439 8008 1 11 . 1 1 99 99 GLY N N 99 116.645 116.645 113.745 2.900 25439 8009 1 11 . 1 1 99 99 GLY CA C 99 45.047 45.047 45.058 -0.011 25439 8010 1 11 . 1 1 99 99 GLY H H 99 9.273 9.273 8.761 0.512 25439 8011 1 11 . 1 1 100 100 TYR N N 100 120.784 120.784 119.230 1.554 25439 8012 1 11 . 1 1 100 100 TYR HA H 100 4.704 4.704 4.760 -0.056 25439 8013 1 11 . 1 1 100 100 TYR CA C 100 57.697 57.697 56.312 1.385 25439 8014 1 11 . 1 1 100 100 TYR CB C 100 39.413 39.413 37.369 2.044 25439 8015 1 11 . 1 1 100 100 TYR H H 100 8.457 8.457 8.075 0.382 25439 8016 1 11 . 1 1 101 101 GLU N N 101 119.482 119.482 122.462 -2.980 25439 8017 1 11 . 1 1 101 101 GLU HA H 101 4.601 4.601 4.582 0.019 25439 8018 1 11 . 1 1 101 101 GLU CA C 101 61.207 61.207 56.663 4.545 25439 8019 1 11 . 1 1 101 101 GLU CB C 101 29.648 29.648 30.605 -0.957 25439 8020 1 11 . 1 1 101 101 GLU H H 101 9.836 9.836 8.580 1.256 25439 8021 1 11 . 1 1 102 102 LYS N N 102 115.179 115.179 121.032 -5.853 25439 8022 1 11 . 1 1 102 102 LYS HA H 102 4.295 4.295 4.694 -0.399 25439 8023 1 11 . 1 1 102 102 LYS CA C 102 54.207 54.207 55.588 -1.381 25439 8024 1 11 . 1 1 102 102 LYS CB C 102 32.489 32.489 32.778 -0.289 25439 8025 1 11 . 1 1 102 102 LYS H H 102 8.291 8.291 7.951 0.340 25439 8026 1 11 . 1 1 103 103 LEU N N 103 119.637 119.637 116.904 2.733 25439 8027 1 11 . 1 1 103 103 LEU HA H 103 4.385 4.385 4.981 -0.596 25439 8028 1 11 . 1 1 103 103 LEU CA C 103 56.549 56.549 53.837 2.712 25439 8029 1 11 . 1 1 103 103 LEU CB C 103 43.864 43.864 44.391 -0.527 25439 8030 1 11 . 1 1 103 103 LEU H H 103 7.642 7.642 7.653 -0.011 25439 8031 1 11 . 1 1 104 104 CYS N N 104 129.651 129.651 116.601 13.050 25439 8032 1 11 . 1 1 104 104 CYS HA H 104 4.498 4.498 5.146 -0.648 25439 8033 1 11 . 1 1 104 104 CYS CA C 104 58.076 58.076 58.515 -0.439 25439 8034 1 11 . 1 1 104 104 CYS CB C 104 32.301 32.301 28.145 4.156 25439 8035 1 11 . 1 1 104 104 CYS H H 104 8.638 8.638 8.913 -0.275 25439 8036 1 11 . 1 1 105 105 CYS N N 105 120.206 120.206 118.201 2.005 25439 8037 1 11 . 1 1 105 105 CYS HA H 105 4.806 4.806 4.751 0.055 25439 8038 1 11 . 1 1 105 105 CYS CA C 105 58.271 58.271 57.049 1.222 25439 8039 1 11 . 1 1 105 105 CYS CB C 105 32.062 32.062 29.949 2.113 25439 8040 1 11 . 1 1 105 105 CYS H H 105 8.158 8.158 7.965 0.193 25439 8041 1 11 . 1 1 106 106 LEU N N 106 115.513 115.513 120.888 -5.375 25439 8042 1 11 . 1 1 106 106 LEU HA H 106 4.054 4.054 4.206 -0.152 25439 8043 1 11 . 1 1 106 106 LEU CA C 106 56.110 56.110 56.531 -0.421 25439 8044 1 11 . 1 1 106 106 LEU CB C 106 41.227 41.227 42.264 -1.037 25439 8045 1 11 . 1 1 106 106 LEU H H 106 8.466 8.466 8.139 0.327 25439 8046 1 11 . 1 1 107 107 ARG N N 107 122.711 122.711 118.801 3.910 25439 8047 1 11 . 1 1 107 107 ARG HA H 107 3.993 3.993 4.304 -0.311 25439 8048 1 11 . 1 1 107 107 ARG CA C 107 58.311 58.311 56.351 1.960 25439 8049 1 11 . 1 1 107 107 ARG CB C 107 28.965 28.965 29.573 -0.608 25439 8050 1 11 . 1 1 107 107 ARG H H 107 8.131 8.131 8.144 -0.013 25439 8051 1 11 . 1 1 108 108 CYS N N 108 119.055 119.055 117.984 1.071 25439 8052 1 11 . 1 1 108 108 CYS HA H 108 4.101 4.101 4.734 -0.633 25439 8053 1 11 . 1 1 108 108 CYS CA C 108 63.936 63.936 57.486 6.450 25439 8054 1 11 . 1 1 108 108 CYS CB C 108 30.934 30.934 27.319 3.615 25439 8055 1 11 . 1 1 108 108 CYS H H 108 8.010 8.010 7.903 0.107 25439 8056 1 11 . 1 1 109 109 ILE N N 109 107.315 107.315 113.587 -6.272 25439 8057 1 11 . 1 1 109 109 ILE HA H 109 4.684 4.684 4.459 0.225 25439 8058 1 11 . 1 1 109 109 ILE CA C 109 60.483 60.483 61.067 -0.584 25439 8059 1 11 . 1 1 109 109 ILE CB C 109 38.320 38.320 38.976 -0.656 25439 8060 1 11 . 1 1 109 109 ILE H H 109 7.105 7.105 7.500 -0.395 25439 8061 1 11 . 1 1 110 110 GLN N N 110 122.468 122.468 121.146 1.322 25439 8062 1 11 . 1 1 110 110 GLN HA H 110 4.268 4.268 4.457 -0.189 25439 8063 1 11 . 1 1 110 110 GLN CA C 110 55.981 55.981 55.980 0.001 25439 8064 1 11 . 1 1 110 110 GLN CB C 110 29.656 29.656 28.268 1.388 25439 8065 1 11 . 1 1 110 110 GLN H H 110 7.156 7.156 8.270 -1.114 25439 8066 1 11 . 1 1 111 111 LYS N N 111 124.650 124.650 123.880 0.770 25439 8067 1 11 . 1 1 111 111 LYS HA H 111 4.246 4.246 4.348 -0.102 25439 8068 1 11 . 1 1 111 111 LYS CA C 111 56.546 56.546 56.429 0.117 25439 8069 1 11 . 1 1 111 111 LYS CB C 111 32.846 32.846 33.795 -0.949 25439 8070 1 11 . 1 1 111 111 LYS H H 111 8.522 8.522 8.305 0.217 25439 8071 1 11 . 1 1 112 112 ASN N N 112 120.972 120.972 115.767 5.205 25439 8072 1 11 . 1 1 112 112 ASN HA H 112 4.778 4.778 4.446 0.332 25439 8073 1 11 . 1 1 112 112 ASN CA C 112 52.902 52.902 54.578 -1.676 25439 8074 1 11 . 1 1 112 112 ASN CB C 112 39.328 39.328 37.871 1.457 25439 8075 1 11 . 1 1 112 112 ASN H H 112 8.360 8.360 8.535 -0.175 25439 8076 1 11 . 1 1 113 113 GLU N N 113 121.710 121.710 121.375 0.335 25439 8077 1 11 . 1 1 113 113 GLU HA H 113 4.248 4.248 4.478 -0.230 25439 8078 1 11 . 1 1 113 113 GLU CA C 113 58.611 58.611 56.105 2.506 25439 8079 1 11 . 1 1 113 113 GLU CB C 113 29.590 29.590 29.908 -0.318 25439 8080 1 11 . 1 1 113 113 GLU H H 113 9.023 9.023 8.679 0.344 25439 8081 1 11 . 1 1 114 114 THR N N 114 112.186 112.186 115.294 -3.108 25439 8082 1 11 . 1 1 114 114 THR HA H 114 4.321 4.321 4.591 -0.270 25439 8083 1 11 . 1 1 114 114 THR CA C 114 63.161 63.161 60.663 2.498 25439 8084 1 11 . 1 1 114 114 THR CB C 114 69.481 69.481 70.107 -0.626 25439 8085 1 11 . 1 1 114 114 THR H H 114 8.112 8.112 7.782 0.330 25439 8086 1 11 . 1 1 115 115 ASN N N 115 119.112 119.112 119.428 -0.316 25439 8087 1 11 . 1 1 115 115 ASN HA H 115 4.829 4.829 4.858 -0.029 25439 8088 1 11 . 1 1 115 115 ASN CA C 115 53.110 53.110 53.026 0.084 25439 8089 1 11 . 1 1 115 115 ASN CB C 115 38.659 38.659 38.667 -0.008 25439 8090 1 11 . 1 1 115 115 ASN H H 115 8.047 8.047 8.549 -0.502 25439 8091 1 11 . 1 1 116 116 ASN N N 116 117.175 117.175 118.614 -1.439 25439 8092 1 11 . 1 1 116 116 ASN HA H 116 4.615 4.615 4.929 -0.314 25439 8093 1 11 . 1 1 116 116 ASN CA C 116 53.965 53.965 53.154 0.811 25439 8094 1 11 . 1 1 116 116 ASN CB C 116 38.173 38.173 39.872 -1.699 25439 8095 1 11 . 1 1 116 116 ASN H H 116 8.364 8.364 7.894 0.470 25439 8096 1 11 . 1 1 117 117 GLY N N 117 107.294 107.294 110.477 -3.183 25439 8097 1 11 . 1 1 117 117 GLY CA C 117 45.882 45.882 44.995 0.887 25439 8098 1 11 . 1 1 117 117 GLY H H 117 8.264 8.264 8.242 0.022 25439 8099 1 11 . 1 1 118 118 SER N N 118 115.475 115.475 115.851 -0.376 25439 8100 1 11 . 1 1 118 118 SER HA H 118 4.586 4.586 4.718 -0.132 25439 8101 1 11 . 1 1 118 118 SER CA C 118 57.974 57.974 57.441 0.533 25439 8102 1 11 . 1 1 118 118 SER CB C 118 64.479 64.479 65.433 -0.954 25439 8103 1 11 . 1 1 118 118 SER H H 118 7.905 7.905 8.372 -0.467 25439 8104 1 11 . 1 1 119 119 THR N N 119 111.360 111.360 115.180 -3.820 25439 8105 1 11 . 1 1 119 119 THR HA H 119 4.450 4.450 4.647 -0.197 25439 8106 1 11 . 1 1 119 119 THR CA C 119 61.215 61.215 61.319 -0.103 25439 8107 1 11 . 1 1 119 119 THR CB C 119 70.569 70.569 70.722 -0.153 25439 8108 1 11 . 1 1 119 119 THR H H 119 8.044 8.044 8.198 -0.154 25439 8109 1 11 . 1 1 120 120 CYS N N 120 122.708 122.708 120.889 1.819 25439 8110 1 11 . 1 1 120 120 CYS HA H 120 4.255 4.255 4.725 -0.470 25439 8111 1 11 . 1 1 120 120 CYS CA C 120 61.469 61.469 58.095 3.374 25439 8112 1 11 . 1 1 120 120 CYS CB C 120 30.892 30.892 29.069 1.823 25439 8113 1 11 . 1 1 120 120 CYS H H 120 8.045 8.045 8.533 -0.488 25439 8114 1 11 . 1 1 121 121 ILE N N 121 132.463 132.463 123.919 8.544 25439 8115 1 11 . 1 1 121 121 ILE HA H 121 4.025 4.025 3.861 0.164 25439 8116 1 11 . 1 1 121 121 ILE CA C 121 63.353 63.353 63.064 0.289 25439 8117 1 11 . 1 1 121 121 ILE CB C 121 38.222 38.222 37.714 0.508 25439 8118 1 11 . 1 1 121 121 ILE H H 121 8.237 8.237 8.448 -0.211 25439 8119 1 11 . 1 1 122 122 CYS N N 122 123.931 123.931 117.764 6.167 25439 8120 1 11 . 1 1 122 122 CYS HA H 122 4.233 4.233 3.810 0.423 25439 8121 1 11 . 1 1 122 122 CYS CA C 122 60.230 60.230 60.494 -0.264 25439 8122 1 11 . 1 1 122 122 CYS CB C 122 30.602 30.602 25.855 4.747 25439 8123 1 11 . 1 1 122 122 CYS H H 122 9.355 9.355 7.521 1.834 25439 8124 1 11 . 1 1 123 123 ARG N N 123 119.561 119.561 121.052 -1.491 25439 8125 1 11 . 1 1 123 123 ARG HA H 123 4.150 4.150 4.309 -0.159 25439 8126 1 11 . 1 1 123 123 ARG CA C 123 53.177 53.177 58.553 -5.376 25439 8127 1 11 . 1 1 123 123 ARG CB C 123 27.961 27.961 30.477 -2.516 25439 8128 1 11 . 1 1 123 123 ARG H H 123 7.677 7.677 7.813 -0.136 25439 8129 1 11 . 1 1 124 124 VAL N N 124 122.794 122.794 120.418 2.376 25439 8130 1 11 . 1 1 124 124 VAL HA H 124 4.081 4.081 4.040 0.041 25439 8131 1 11 . 1 1 124 124 VAL CA C 124 60.647 60.647 60.828 -0.181 25439 8132 1 11 . 1 1 124 124 VAL CB C 124 32.857 32.857 31.331 1.526 25439 8133 1 11 . 1 1 124 124 VAL H H 124 7.578 7.578 7.241 0.337 25439 8134 1 11 . 1 1 125 125 PRO HA H 125 4.263 4.263 4.544 -0.281 25439 8135 1 11 . 1 1 125 125 PRO CA C 125 63.268 63.268 62.376 0.892 25439 8136 1 11 . 1 1 125 125 PRO CB C 125 32.379 32.379 32.887 -0.508 25439 8137 1 11 . 1 1 126 126 ARG N N 126 128.350 128.350 119.226 9.124 25439 8138 1 11 . 1 1 126 126 ARG HA H 126 3.912 3.912 4.092 -0.180 25439 8139 1 11 . 1 1 126 126 ARG CA C 126 59.653 59.653 59.474 0.179 25439 8140 1 11 . 1 1 126 126 ARG CB C 126 29.339 29.339 29.252 0.087 25439 8141 1 11 . 1 1 126 126 ARG H H 126 9.534 9.534 8.753 0.781 25439 8142 1 11 . 1 1 127 127 ALA N N 127 119.169 119.169 122.226 -3.057 25439 8143 1 11 . 1 1 127 127 ALA HA H 127 4.192 4.192 4.123 0.069 25439 8144 1 11 . 1 1 127 127 ALA CA C 127 55.227 55.227 55.176 0.051 25439 8145 1 11 . 1 1 127 127 ALA CB C 127 18.363 18.363 18.063 0.300 25439 8146 1 11 . 1 1 127 127 ALA H H 127 9.263 9.263 8.359 0.904 25439 8147 1 11 . 1 1 128 128 GLN N N 128 117.345 117.345 118.149 -0.804 25439 8148 1 11 . 1 1 128 128 GLN HA H 128 4.209 4.209 4.102 0.107 25439 8149 1 11 . 1 1 128 128 GLN CA C 128 58.506 58.506 58.870 -0.363 25439 8150 1 11 . 1 1 128 128 GLN CB C 128 28.220 28.220 28.293 -0.073 25439 8151 1 11 . 1 1 128 128 GLN H H 128 7.448 7.448 8.422 -0.974 25439 8152 1 11 . 1 1 129 129 LEU N N 129 120.561 120.561 120.586 -0.025 25439 8153 1 11 . 1 1 129 129 LEU HA H 129 4.088 4.088 3.944 0.144 25439 8154 1 11 . 1 1 129 129 LEU CA C 129 57.952 57.952 58.001 -0.049 25439 8155 1 11 . 1 1 129 129 LEU CB C 129 41.817 41.817 41.843 -0.026 25439 8156 1 11 . 1 1 129 129 LEU H H 129 7.622 7.622 7.554 0.068 25439 8157 1 11 . 1 1 130 130 GLU N N 130 119.122 119.122 118.816 0.306 25439 8158 1 11 . 1 1 130 130 GLU HA H 130 3.956 3.956 3.949 0.007 25439 8159 1 11 . 1 1 130 130 GLU CA C 130 59.353 59.353 59.958 -0.605 25439 8160 1 11 . 1 1 130 130 GLU CB C 130 29.337 29.337 29.221 0.116 25439 8161 1 11 . 1 1 130 130 GLU H H 130 8.656 8.656 8.766 -0.110 25439 8162 1 11 . 1 1 131 131 GLU N N 131 121.469 121.469 118.835 2.634 25439 8163 1 11 . 1 1 131 131 GLU HA H 131 4.163 4.163 4.001 0.162 25439 8164 1 11 . 1 1 131 131 GLU CA C 131 59.288 59.288 59.785 -0.497 25439 8165 1 11 . 1 1 131 131 GLU CB C 131 29.422 29.422 29.399 0.023 25439 8166 1 11 . 1 1 131 131 GLU H H 131 7.922 7.922 7.854 0.068 25439 8167 1 11 . 1 1 132 132 GLU N N 132 119.241 119.241 119.417 -0.176 25439 8168 1 11 . 1 1 132 132 GLU HA H 132 3.998 3.998 4.031 -0.033 25439 8169 1 11 . 1 1 132 132 GLU CA C 132 59.327 59.327 59.174 0.153 25439 8170 1 11 . 1 1 132 132 GLU CB C 132 29.421 29.421 29.311 0.110 25439 8171 1 11 . 1 1 132 132 GLU H H 132 8.099 8.099 7.575 0.524 25439 8172 1 11 . 1 1 133 133 ALA N N 133 121.302 121.302 121.783 -0.481 25439 8173 1 11 . 1 1 133 133 ALA HA H 133 4.053 4.053 4.082 -0.029 25439 8174 1 11 . 1 1 133 133 ALA CA C 133 54.973 54.973 55.057 -0.084 25439 8175 1 11 . 1 1 133 133 ALA CB C 133 18.154 18.154 18.360 -0.206 25439 8176 1 11 . 1 1 133 133 ALA H H 133 7.795 7.795 7.601 0.194 25439 8177 1 11 . 1 1 134 134 ARG N N 134 118.757 118.757 118.412 0.345 25439 8178 1 11 . 1 1 134 134 ARG HA H 134 4.143 4.143 4.097 0.046 25439 8179 1 11 . 1 1 134 134 ARG CA C 134 59.438 59.438 58.648 0.790 25439 8180 1 11 . 1 1 134 134 ARG CB C 134 30.148 30.148 29.961 0.187 25439 8181 1 11 . 1 1 134 134 ARG H H 134 8.145 8.145 8.125 0.020 25439 8182 1 11 . 1 1 135 135 LYS N N 135 119.496 119.496 119.238 0.258 25439 8183 1 11 . 1 1 135 135 LYS HA H 135 4.073 4.073 4.205 -0.132 25439 8184 1 11 . 1 1 135 135 LYS CA C 135 59.327 59.327 58.555 0.772 25439 8185 1 11 . 1 1 135 135 LYS CB C 135 32.539 32.539 32.677 -0.138 25439 8186 1 11 . 1 1 135 135 LYS H H 135 8.036 8.036 7.686 0.350 25439 8187 1 11 . 1 1 136 136 LYS N N 136 116.645 116.645 117.941 -1.296 25439 8188 1 11 . 1 1 136 136 LYS HA H 136 4.362 4.362 4.449 -0.087 25439 8189 1 11 . 1 1 136 136 LYS CA C 136 56.575 56.575 55.396 1.179 25439 8190 1 11 . 1 1 136 136 LYS CB C 136 33.629 33.629 32.164 1.465 25439 8191 1 11 . 1 1 136 136 LYS H H 136 7.682 7.682 7.594 0.088 25439 8192 1 11 . 1 1 137 137 GLY N N 137 109.349 109.349 109.077 0.272 25439 8193 1 11 . 1 1 137 137 GLY CA C 137 46.358 46.358 46.240 0.118 25439 8194 1 11 . 1 1 137 137 GLY H H 137 8.064 8.064 7.889 0.175 25439 8195 1 11 . 1 1 138 138 THR N N 138 112.870 112.870 113.689 -0.819 25439 8196 1 11 . 1 1 138 138 THR HA H 138 4.735 4.735 4.661 0.074 25439 8197 1 11 . 1 1 138 138 THR CA C 138 59.308 59.308 60.606 -1.298 25439 8198 1 11 . 1 1 138 138 THR CB C 138 70.755 70.755 70.807 -0.052 25439 8199 1 11 . 1 1 138 138 THR H H 138 8.111 8.111 8.041 0.070 25439 8200 1 11 . 1 1 139 139 GLN N N 139 118.177 118.177 119.834 -1.657 25439 8201 1 11 . 1 1 139 139 GLN HA H 139 4.609 4.609 4.588 0.021 25439 8202 1 11 . 1 1 139 139 GLN CA C 139 54.435 54.435 55.165 -0.730 25439 8203 1 11 . 1 1 139 139 GLN CB C 139 30.777 30.777 31.392 -0.615 25439 8204 1 11 . 1 1 139 139 GLN H H 139 8.227 8.227 8.292 -0.065 25439 8205 1 11 . 1 1 140 140 VAL N N 140 123.601 123.601 120.827 2.774 25439 8206 1 11 . 1 1 140 140 VAL HA H 140 3.790 3.790 4.532 -0.742 25439 8207 1 11 . 1 1 140 140 VAL CA C 140 63.934 63.934 61.100 2.834 25439 8208 1 11 . 1 1 140 140 VAL CB C 140 32.154 32.154 33.839 -1.685 25439 8209 1 11 . 1 1 140 140 VAL H H 140 8.839 8.839 8.624 0.215 25439 8210 1 11 . 1 1 141 141 SER HA H 141 4.524 4.524 4.733 -0.209 25439 8211 1 11 . 1 1 141 141 SER CA C 141 57.841 57.841 58.062 -0.221 25439 8212 1 11 . 1 1 141 141 SER CB C 141 64.174 64.174 63.650 0.524 25439 8213 1 11 . 1 1 142 142 PHE N N 142 123.726 123.726 127.071 -3.345 25439 8214 1 11 . 1 1 142 142 PHE HA H 142 4.458 4.458 4.983 -0.525 25439 8215 1 11 . 1 1 142 142 PHE CA C 142 58.673 58.673 58.039 0.634 25439 8216 1 11 . 1 1 142 142 PHE CB C 142 40.055 40.055 41.409 -1.354 25439 8217 1 11 . 1 1 142 142 PHE H H 142 7.534 7.534 8.467 -0.933 25439 8218 1 11 . 1 1 143 143 HIS N N 143 126.548 126.548 118.489 8.059 25439 8219 1 11 . 1 1 143 143 HIS HA H 143 4.336 4.336 4.463 -0.127 25439 8220 1 11 . 1 1 143 143 HIS CA C 143 56.837 56.837 56.497 0.340 25439 8221 1 11 . 1 1 143 143 HIS CB C 143 31.949 31.949 32.421 -0.472 25439 8222 1 11 . 1 1 143 143 HIS H H 143 8.308 8.308 7.317 0.991 25439 8223 1 11 . 1 1 144 144 GLN N N 144 115.094 115.094 116.115 -1.021 25439 8224 1 11 . 1 1 144 144 GLN HA H 144 4.433 4.433 4.521 -0.088 25439 8225 1 11 . 1 1 144 144 GLN CA C 144 54.210 54.210 53.416 0.794 25439 8226 1 11 . 1 1 144 144 GLN CB C 144 32.925 32.925 31.907 1.018 25439 8227 1 11 . 1 1 144 144 GLN H H 144 7.203 7.203 6.970 0.233 25439 8228 1 11 . 1 1 145 145 CYS N N 145 123.088 123.088 118.776 4.312 25439 8229 1 11 . 1 1 145 145 CYS HA H 145 4.961 4.961 4.935 0.026 25439 8230 1 11 . 1 1 145 145 CYS CA C 145 57.978 57.978 57.015 0.963 25439 8231 1 11 . 1 1 145 145 CYS CB C 145 33.555 33.555 29.914 3.641 25439 8232 1 11 . 1 1 145 145 CYS H H 145 8.668 8.668 8.672 -0.004 25439 8233 1 11 . 1 1 146 146 VAL N N 146 113.265 113.265 121.425 -8.160 25439 8234 1 11 . 1 1 146 146 VAL HA H 146 4.238 4.238 4.175 0.063 25439 8235 1 11 . 1 1 146 146 VAL CA C 146 64.001 64.001 65.281 -1.280 25439 8236 1 11 . 1 1 146 146 VAL CB C 146 32.157 32.157 32.185 -0.028 25439 8237 1 11 . 1 1 146 146 VAL H H 146 8.198 8.198 8.487 -0.289 25439 8238 1 11 . 1 1 147 147 HIS N N 147 120.556 120.556 118.567 1.989 25439 8239 1 11 . 1 1 147 147 HIS HA H 147 4.604 4.604 4.375 0.229 25439 8240 1 11 . 1 1 147 147 HIS CA C 147 58.708 58.708 58.773 -0.065 25439 8241 1 11 . 1 1 147 147 HIS CB C 147 32.204 32.204 29.276 2.929 25439 8242 1 11 . 1 1 147 147 HIS H H 147 7.151 7.151 8.326 -1.175 25439 8243 1 11 . 1 1 148 148 CYS N N 148 112.110 112.110 112.110 0.000 25439 8244 1 11 . 1 1 148 148 CYS HA H 148 4.889 4.889 4.845 0.044 25439 8245 1 11 . 1 1 148 148 CYS CA C 148 57.952 57.952 55.524 2.428 25439 8246 1 11 . 1 1 148 148 CYS CB C 148 32.956 32.956 30.283 2.673 25439 8247 1 11 . 1 1 148 148 CYS H H 148 7.413 7.413 7.279 0.134 25439 8248 1 11 . 1 1 149 149 GLY N N 149 112.797 112.797 108.218 4.579 25439 8249 1 11 . 1 1 149 149 GLY CA C 149 45.327 45.327 44.352 0.975 25439 8250 1 11 . 1 1 149 149 GLY H H 149 6.949 6.949 8.313 -1.364 25439 8251 1 11 . 1 1 150 150 CYS N N 150 127.277 127.277 120.229 7.048 25439 8252 1 11 . 1 1 150 150 CYS HA H 150 3.932 3.932 4.569 -0.637 25439 8253 1 11 . 1 1 150 150 CYS CA C 150 61.362 61.362 57.037 4.325 25439 8254 1 11 . 1 1 150 150 CYS CB C 150 30.632 30.632 29.782 0.850 25439 8255 1 11 . 1 1 150 150 CYS H H 150 8.240 8.240 7.144 1.096 25439 8256 1 11 . 1 1 151 151 ARG N N 151 125.476 125.476 126.812 -1.336 25439 8257 1 11 . 1 1 151 151 ARG HA H 151 4.775 4.775 4.398 0.377 25439 8258 1 11 . 1 1 151 151 ARG CA C 151 56.164 56.164 55.056 1.108 25439 8259 1 11 . 1 1 151 151 ARG CB C 151 30.354 30.354 29.174 1.180 25439 8260 1 11 . 1 1 151 151 ARG H H 151 8.492 8.492 8.606 -0.114 25439 8261 1 11 . 1 1 152 152 GLY N N 152 117.275 117.275 108.394 8.881 25439 8262 1 11 . 1 1 152 152 GLY CA C 152 45.523 45.523 45.306 0.217 25439 8263 1 11 . 1 1 152 152 GLY H H 152 9.812 9.812 7.689 2.123 25439 8264 1 11 . 1 1 153 153 CYS N N 153 126.187 126.187 118.726 7.461 25439 8265 1 11 . 1 1 153 153 CYS HA H 153 4.842 4.842 4.810 0.032 25439 8266 1 11 . 1 1 153 153 CYS CA C 153 57.130 57.130 55.772 1.358 25439 8267 1 11 . 1 1 153 153 CYS CB C 153 31.368 31.368 27.974 3.394 25439 8268 1 11 . 1 1 153 153 CYS H H 153 8.930 8.930 8.184 0.746 25439 8269 1 11 . 1 1 154 154 ALA N N 154 125.869 125.869 126.418 -0.549 25439 8270 1 11 . 1 1 154 154 ALA HA H 154 4.159 4.159 4.944 -0.785 25439 8271 1 11 . 1 1 154 154 ALA CA C 154 53.187 53.187 51.456 1.731 25439 8272 1 11 . 1 1 154 154 ALA CB C 154 18.937 18.937 21.278 -2.341 25439 8273 1 11 . 1 1 154 154 ALA H H 154 8.616 8.616 8.362 0.254 25439 8274 1 11 . 1 1 155 155 SER N N 155 116.724 116.724 117.695 -0.971 25439 8275 1 11 . 1 1 155 155 SER HA H 155 4.283 4.283 4.392 -0.109 25439 8276 1 11 . 1 1 155 155 SER CA C 155 60.136 60.136 59.971 0.165 25439 8277 1 11 . 1 1 155 155 SER CB C 155 63.575 63.575 63.771 -0.196 25439 8278 1 11 . 1 1 155 155 SER H H 155 9.358 9.358 8.859 0.499 25439 8279 1 11 . 1 1 156 156 THR N N 156 111.893 111.893 116.739 -4.846 25439 8280 1 11 . 1 1 156 156 THR HA H 156 4.358 4.358 4.154 0.203 25439 8281 1 11 . 1 1 156 156 THR CA C 156 61.264 61.264 64.576 -3.312 25439 8282 1 11 . 1 1 156 156 THR CB C 156 69.999 69.999 69.171 0.828 25439 8283 1 11 . 1 1 156 156 THR H H 156 7.638 7.638 8.244 -0.606 25439 8284 1 12 . 1 1 0 0 GLY CA C 0 43.750 43.750 45.109 -1.359 25439 8285 1 12 . 1 1 1 1 SER N N 1 117.201 117.201 117.524 -0.323 25439 8286 1 12 . 1 1 1 1 SER HA H 1 4.809 4.809 4.838 -0.029 25439 8287 1 12 . 1 1 1 1 SER CA C 1 56.525 56.525 56.151 0.374 25439 8288 1 12 . 1 1 1 1 SER CB C 1 63.385 63.385 64.719 -1.334 25439 8289 1 12 . 1 1 1 1 SER H H 1 8.381 8.381 8.393 -0.012 25439 8290 1 12 . 1 1 2 2 PRO HA H 2 4.468 4.468 4.492 -0.024 25439 8291 1 12 . 1 1 2 2 PRO CA C 2 63.292 63.292 63.309 -0.017 25439 8292 1 12 . 1 1 2 2 PRO CB C 2 32.174 32.174 32.278 -0.104 25439 8293 1 12 . 1 1 3 3 ARG N N 3 121.649 121.649 124.662 -3.013 25439 8294 1 12 . 1 1 3 3 ARG HA H 3 4.324 4.324 4.685 -0.361 25439 8295 1 12 . 1 1 3 3 ARG CA C 3 56.226 56.226 55.790 0.436 25439 8296 1 12 . 1 1 3 3 ARG CB C 3 30.732 30.732 30.322 0.410 25439 8297 1 12 . 1 1 3 3 ARG H H 3 8.428 8.428 8.781 -0.353 25439 8298 1 12 . 1 1 4 4 ILE N N 4 122.500 122.500 120.902 1.598 25439 8299 1 12 . 1 1 4 4 ILE HA H 4 4.181 4.181 4.491 -0.310 25439 8300 1 12 . 1 1 4 4 ILE CA C 4 60.943 60.943 60.336 0.607 25439 8301 1 12 . 1 1 4 4 ILE CB C 4 38.751 38.751 40.081 -1.330 25439 8302 1 12 . 1 1 4 4 ILE H H 4 8.165 8.165 7.800 0.365 25439 8303 1 12 . 1 1 5 5 LYS N N 5 126.237 126.237 123.325 2.912 25439 8304 1 12 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.838 -0.436 25439 8305 1 12 . 1 1 5 5 LYS CA C 5 56.422 56.422 55.611 0.811 25439 8306 1 12 . 1 1 5 5 LYS CB C 5 33.130 33.130 33.699 -0.569 25439 8307 1 12 . 1 1 5 5 LYS H H 5 8.500 8.500 8.331 0.169 25439 8308 1 12 . 1 1 6 6 THR N N 6 116.495 116.495 114.891 1.604 25439 8309 1 12 . 1 1 6 6 THR HA H 6 4.323 4.323 4.575 -0.252 25439 8310 1 12 . 1 1 6 6 THR CA C 6 61.918 61.918 61.527 0.391 25439 8311 1 12 . 1 1 6 6 THR CB C 6 69.963 69.963 70.107 -0.144 25439 8312 1 12 . 1 1 6 6 THR H H 6 8.194 8.194 8.306 -0.112 25439 8313 1 12 . 1 1 7 7 ARG N N 7 124.128 124.128 122.473 1.655 25439 8314 1 12 . 1 1 7 7 ARG HA H 7 4.396 4.396 4.607 -0.211 25439 8315 1 12 . 1 1 7 7 ARG CA C 7 56.128 56.128 55.952 0.176 25439 8316 1 12 . 1 1 7 7 ARG CB C 7 30.953 30.953 30.376 0.577 25439 8317 1 12 . 1 1 7 7 ARG H H 7 8.458 8.458 8.662 -0.204 25439 8318 1 12 . 1 1 8 8 ARG N N 8 123.384 123.384 120.802 2.582 25439 8319 1 12 . 1 1 8 8 ARG HA H 8 4.424 4.424 4.394 0.030 25439 8320 1 12 . 1 1 8 8 ARG CA C 8 56.011 56.011 56.192 -0.181 25439 8321 1 12 . 1 1 8 8 ARG CB C 8 31.058 31.058 31.109 -0.051 25439 8322 1 12 . 1 1 8 8 ARG H H 8 8.526 8.526 8.528 -0.002 25439 8323 1 12 . 1 1 9 9 SER N N 9 118.446 118.446 115.316 3.130 25439 8324 1 12 . 1 1 9 9 SER HA H 9 4.473 4.473 4.558 -0.085 25439 8325 1 12 . 1 1 9 9 SER CA C 9 58.568 58.568 57.493 1.075 25439 8326 1 12 . 1 1 9 9 SER CB C 9 63.986 63.986 64.094 -0.108 25439 8327 1 12 . 1 1 9 9 SER H H 9 8.450 8.450 8.131 0.319 25439 8328 1 12 . 1 1 10 10 LYS N N 10 124.117 124.117 121.056 3.061 25439 8329 1 12 . 1 1 10 10 LYS HA H 10 4.673 4.673 4.739 -0.066 25439 8330 1 12 . 1 1 10 10 LYS CA C 10 54.412 54.412 53.721 0.691 25439 8331 1 12 . 1 1 10 10 LYS CB C 10 32.693 32.693 32.321 0.372 25439 8332 1 12 . 1 1 10 10 LYS H H 10 8.426 8.426 8.313 0.113 25439 8333 1 12 . 1 1 11 11 PRO HA H 11 4.360 4.360 4.351 0.009 25439 8334 1 12 . 1 1 11 11 PRO CA C 11 62.861 62.861 62.880 -0.019 25439 8335 1 12 . 1 1 11 11 PRO CB C 11 32.106 32.106 31.821 0.285 25439 8336 1 12 . 1 1 12 12 ALA N N 12 124.420 124.420 120.453 3.967 25439 8337 1 12 . 1 1 12 12 ALA HA H 12 2.889 2.889 2.627 0.262 25439 8338 1 12 . 1 1 12 12 ALA CA C 12 49.735 49.735 50.762 -1.027 25439 8339 1 12 . 1 1 12 12 ALA CB C 12 18.066 18.066 16.512 1.554 25439 8340 1 12 . 1 1 12 12 ALA H H 12 7.890 7.890 7.708 0.182 25439 8341 1 12 . 1 1 13 13 PRO HA H 13 4.207 4.207 4.459 -0.252 25439 8342 1 12 . 1 1 13 13 PRO CA C 13 62.111 62.111 61.626 0.485 25439 8343 1 12 . 1 1 13 13 PRO CB C 13 32.582 32.582 32.462 0.120 25439 8344 1 12 . 1 1 14 14 ASP N N 14 119.535 119.535 120.102 -0.567 25439 8345 1 12 . 1 1 14 14 ASP HA H 14 4.379 4.379 4.269 0.110 25439 8346 1 12 . 1 1 14 14 ASP CA C 14 56.427 56.427 57.185 -0.758 25439 8347 1 12 . 1 1 14 14 ASP CB C 14 41.177 41.177 40.428 0.749 25439 8348 1 12 . 1 1 14 14 ASP H H 14 8.206 8.206 8.771 -0.565 25439 8349 1 12 . 1 1 15 15 GLY N N 15 113.273 113.273 108.174 5.099 25439 8350 1 12 . 1 1 15 15 GLY CA C 15 45.146 45.146 46.730 -1.583 25439 8351 1 12 . 1 1 15 15 GLY H H 15 8.723 8.723 8.362 0.361 25439 8352 1 12 . 1 1 16 16 PHE N N 16 123.113 123.113 122.623 0.490 25439 8353 1 12 . 1 1 16 16 PHE HA H 16 4.125 4.125 4.236 -0.111 25439 8354 1 12 . 1 1 16 16 PHE CA C 16 60.715 60.715 59.495 1.220 25439 8355 1 12 . 1 1 16 16 PHE CB C 16 39.639 39.639 39.077 0.562 25439 8356 1 12 . 1 1 16 16 PHE H H 16 8.127 8.127 8.264 -0.137 25439 8357 1 12 . 1 1 17 17 GLU N N 17 115.695 115.695 119.437 -3.742 25439 8358 1 12 . 1 1 17 17 GLU HA H 17 3.768 3.768 3.809 -0.041 25439 8359 1 12 . 1 1 17 17 GLU CA C 17 59.234 59.234 59.381 -0.147 25439 8360 1 12 . 1 1 17 17 GLU CB C 17 28.495 28.495 29.340 -0.845 25439 8361 1 12 . 1 1 17 17 GLU H H 17 9.088 9.088 8.153 0.935 25439 8362 1 12 . 1 1 18 18 LYS N N 18 115.887 115.887 117.329 -1.442 25439 8363 1 12 . 1 1 18 18 LYS HA H 18 4.165 4.165 4.060 0.105 25439 8364 1 12 . 1 1 18 18 LYS CA C 18 58.249 58.249 58.700 -0.451 25439 8365 1 12 . 1 1 18 18 LYS CB C 18 32.725 32.725 32.886 -0.162 25439 8366 1 12 . 1 1 18 18 LYS H H 18 7.285 7.285 7.762 -0.477 25439 8367 1 12 . 1 1 19 19 ILE N N 19 110.277 110.277 110.858 -0.581 25439 8368 1 12 . 1 1 19 19 ILE HA H 19 4.722 4.722 4.676 0.046 25439 8369 1 12 . 1 1 19 19 ILE CA C 19 61.093 61.093 59.926 1.167 25439 8370 1 12 . 1 1 19 19 ILE CB C 19 39.139 39.139 38.166 0.973 25439 8371 1 12 . 1 1 19 19 ILE H H 19 7.031 7.031 7.501 -0.470 25439 8372 1 12 . 1 1 20 20 LYS N N 20 124.540 124.540 122.534 2.006 25439 8373 1 12 . 1 1 20 20 LYS HA H 20 3.603 3.603 3.792 -0.189 25439 8374 1 12 . 1 1 20 20 LYS CA C 20 60.917 60.917 60.395 0.522 25439 8375 1 12 . 1 1 20 20 LYS CB C 20 30.210 30.210 30.736 -0.526 25439 8376 1 12 . 1 1 20 20 LYS H H 20 7.666 7.666 7.496 0.170 25439 8377 1 12 . 1 1 21 21 PRO HA H 21 4.292 4.292 4.539 -0.247 25439 8378 1 12 . 1 1 21 21 PRO CA C 21 66.990 66.990 65.338 1.652 25439 8379 1 12 . 1 1 21 21 PRO CB C 21 30.779 30.779 31.565 -0.786 25439 8380 1 12 . 1 1 22 22 THR N N 22 114.917 114.917 115.100 -0.183 25439 8381 1 12 . 1 1 22 22 THR HA H 22 3.866 3.866 4.065 -0.199 25439 8382 1 12 . 1 1 22 22 THR CA C 22 66.575 66.575 66.340 0.235 25439 8383 1 12 . 1 1 22 22 THR CB C 22 68.731 68.731 68.567 0.164 25439 8384 1 12 . 1 1 22 22 THR H H 22 7.331 7.331 8.186 -0.855 25439 8385 1 12 . 1 1 23 23 LEU N N 23 120.152 120.152 120.374 -0.222 25439 8386 1 12 . 1 1 23 23 LEU HA H 23 4.397 4.397 3.958 0.439 25439 8387 1 12 . 1 1 23 23 LEU CA C 23 58.740 58.740 57.775 0.965 25439 8388 1 12 . 1 1 23 23 LEU CB C 23 40.489 40.489 41.901 -1.411 25439 8389 1 12 . 1 1 23 23 LEU H H 23 7.991 7.991 7.497 0.494 25439 8390 1 12 . 1 1 24 24 THR N N 24 119.365 119.365 113.940 5.425 25439 8391 1 12 . 1 1 24 24 THR HA H 24 4.095 4.095 3.954 0.141 25439 8392 1 12 . 1 1 24 24 THR CA C 24 66.834 66.834 66.334 0.500 25439 8393 1 12 . 1 1 24 24 THR CB C 24 68.614 68.614 68.037 0.577 25439 8394 1 12 . 1 1 24 24 THR H H 24 9.175 9.175 7.596 1.579 25439 8395 1 12 . 1 1 25 25 ASP N N 25 122.865 122.865 121.087 1.778 25439 8396 1 12 . 1 1 25 25 ASP HA H 25 4.483 4.483 4.363 0.120 25439 8397 1 12 . 1 1 25 25 ASP CA C 25 58.158 58.158 57.493 0.665 25439 8398 1 12 . 1 1 25 25 ASP CB C 25 40.329 40.329 40.558 -0.229 25439 8399 1 12 . 1 1 25 25 ASP H H 25 7.714 7.714 7.615 0.099 25439 8400 1 12 . 1 1 26 26 PHE N N 26 116.182 116.182 118.385 -2.203 25439 8401 1 12 . 1 1 26 26 PHE HA H 26 4.457 4.457 4.172 0.285 25439 8402 1 12 . 1 1 26 26 PHE CA C 26 62.531 62.531 61.796 0.735 25439 8403 1 12 . 1 1 26 26 PHE CB C 26 39.468 39.468 38.786 0.681 25439 8404 1 12 . 1 1 26 26 PHE H H 26 7.816 7.816 7.873 -0.057 25439 8405 1 12 . 1 1 27 27 GLU N N 27 120.107 120.107 118.430 1.677 25439 8406 1 12 . 1 1 27 27 GLU HA H 27 4.113 4.113 4.076 0.037 25439 8407 1 12 . 1 1 27 27 GLU CA C 27 59.852 59.852 59.529 0.324 25439 8408 1 12 . 1 1 27 27 GLU CB C 27 29.692 29.692 29.067 0.625 25439 8409 1 12 . 1 1 27 27 GLU H H 27 8.068 8.068 7.943 0.125 25439 8410 1 12 . 1 1 28 28 ILE N N 28 121.494 121.494 118.851 2.643 25439 8411 1 12 . 1 1 28 28 ILE HA H 28 3.718 3.718 3.886 -0.168 25439 8412 1 12 . 1 1 28 28 ILE CA C 28 65.002 65.002 64.647 0.355 25439 8413 1 12 . 1 1 28 28 ILE CB C 28 38.023 38.023 38.424 -0.401 25439 8414 1 12 . 1 1 28 28 ILE H H 28 8.531 8.531 7.645 0.886 25439 8415 1 12 . 1 1 29 29 GLN N N 29 118.941 118.941 120.155 -1.214 25439 8416 1 12 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.065 0.115 25439 8417 1 12 . 1 1 29 29 GLN CA C 29 59.507 59.507 59.139 0.368 25439 8418 1 12 . 1 1 29 29 GLN CB C 29 29.783 29.783 28.620 1.163 25439 8419 1 12 . 1 1 29 29 GLN H H 29 8.117 8.117 7.580 0.537 25439 8420 1 12 . 1 1 30 30 LEU N N 30 121.724 121.724 120.296 1.428 25439 8421 1 12 . 1 1 30 30 LEU HA H 30 4.032 4.032 4.136 -0.104 25439 8422 1 12 . 1 1 30 30 LEU CA C 30 58.333 58.333 57.829 0.504 25439 8423 1 12 . 1 1 30 30 LEU CB C 30 42.339 42.339 42.151 0.188 25439 8424 1 12 . 1 1 30 30 LEU H H 30 8.677 8.677 8.753 -0.076 25439 8425 1 12 . 1 1 31 31 ARG N N 31 120.629 120.629 118.258 2.371 25439 8426 1 12 . 1 1 31 31 ARG HA H 31 4.105 4.105 4.115 -0.010 25439 8427 1 12 . 1 1 31 31 ARG CA C 31 59.340 59.340 58.840 0.500 25439 8428 1 12 . 1 1 31 31 ARG CB C 31 30.044 30.044 29.386 0.658 25439 8429 1 12 . 1 1 31 31 ARG H H 31 8.227 8.227 7.840 0.387 25439 8430 1 12 . 1 1 32 32 ASP N N 32 120.233 120.233 120.952 -0.719 25439 8431 1 12 . 1 1 32 32 ASP HA H 32 4.484 4.484 4.419 0.065 25439 8432 1 12 . 1 1 32 32 ASP CA C 32 57.199 57.199 57.984 -0.785 25439 8433 1 12 . 1 1 32 32 ASP CB C 32 40.202 40.202 40.469 -0.267 25439 8434 1 12 . 1 1 32 32 ASP H H 32 8.407 8.407 7.725 0.682 25439 8435 1 12 . 1 1 33 33 ALA N N 33 121.939 121.939 122.174 -0.235 25439 8436 1 12 . 1 1 33 33 ALA HA H 33 4.321 4.321 4.041 0.280 25439 8437 1 12 . 1 1 33 33 ALA CA C 33 54.207 54.207 55.200 -0.993 25439 8438 1 12 . 1 1 33 33 ALA CB C 33 18.738 18.738 18.306 0.432 25439 8439 1 12 . 1 1 33 33 ALA H H 33 8.057 8.057 7.629 0.428 25439 8440 1 12 . 1 1 34 34 GLN N N 34 114.736 114.736 117.734 -2.998 25439 8441 1 12 . 1 1 34 34 GLN HA H 34 4.248 4.248 3.990 0.258 25439 8442 1 12 . 1 1 34 34 GLN CA C 34 56.567 56.567 58.968 -2.401 25439 8443 1 12 . 1 1 34 34 GLN CB C 34 29.743 29.743 28.770 0.973 25439 8444 1 12 . 1 1 34 34 GLN H H 34 7.746 7.746 7.911 -0.165 25439 8445 1 12 . 1 1 35 35 LYS N N 35 120.534 120.534 118.438 2.096 25439 8446 1 12 . 1 1 35 35 LYS HA H 35 4.232 4.232 4.276 -0.044 25439 8447 1 12 . 1 1 35 35 LYS CA C 35 57.427 57.427 58.295 -0.868 25439 8448 1 12 . 1 1 35 35 LYS CB C 35 32.887 32.887 32.795 0.092 25439 8449 1 12 . 1 1 35 35 LYS H H 35 7.570 7.570 7.494 0.076 25439 8450 1 12 . 1 1 36 36 ASP N N 36 120.943 120.943 120.293 0.650 25439 8451 1 12 . 1 1 36 36 ASP HA H 36 4.595 4.595 4.344 0.251 25439 8452 1 12 . 1 1 36 36 ASP CA C 36 54.983 54.983 56.804 -1.821 25439 8453 1 12 . 1 1 36 36 ASP CB C 36 41.129 41.129 40.527 0.602 25439 8454 1 12 . 1 1 36 36 ASP H H 36 8.375 8.375 8.591 -0.216 25439 8455 1 12 . 1 1 37 37 LYS N N 37 122.598 122.598 117.182 5.416 25439 8456 1 12 . 1 1 37 37 LYS HA H 37 4.365 4.365 3.970 0.395 25439 8457 1 12 . 1 1 37 37 LYS CA C 37 56.725 56.725 57.335 -0.610 25439 8458 1 12 . 1 1 37 37 LYS CB C 37 32.823 32.823 32.893 -0.070 25439 8459 1 12 . 1 1 37 37 LYS H H 37 8.446 8.446 7.721 0.725 25439 8460 1 12 . 1 1 38 38 SER N N 38 115.849 115.849 112.366 3.483 25439 8461 1 12 . 1 1 38 38 SER HA H 38 4.423 4.423 4.168 0.255 25439 8462 1 12 . 1 1 38 38 SER CA C 38 59.193 59.193 59.169 0.024 25439 8463 1 12 . 1 1 38 38 SER CB C 38 63.744 63.744 62.894 0.850 25439 8464 1 12 . 1 1 38 38 SER H H 38 8.392 8.392 7.848 0.544 25439 8465 1 12 . 1 1 39 39 SER N N 39 117.258 117.258 116.964 0.294 25439 8466 1 12 . 1 1 39 39 SER HA H 39 4.445 4.445 4.478 -0.033 25439 8467 1 12 . 1 1 39 39 SER CA C 39 58.933 58.933 58.091 0.842 25439 8468 1 12 . 1 1 39 39 SER CB C 39 63.711 63.711 63.907 -0.196 25439 8469 1 12 . 1 1 39 39 SER H H 39 8.283 8.283 8.331 -0.048 25439 8470 1 12 . 1 1 40 40 LYS N N 40 122.427 122.427 125.419 -2.992 25439 8471 1 12 . 1 1 40 40 LYS HA H 40 4.321 4.321 4.080 0.241 25439 8472 1 12 . 1 1 40 40 LYS CA C 40 56.847 56.847 57.395 -0.548 25439 8473 1 12 . 1 1 40 40 LYS CB C 40 32.764 32.764 31.387 1.377 25439 8474 1 12 . 1 1 40 40 LYS H H 40 8.263 8.263 8.685 -0.422 25439 8475 1 12 . 1 1 41 41 LEU N N 41 121.281 121.281 120.152 1.129 25439 8476 1 12 . 1 1 41 41 LEU HA H 41 4.308 4.308 4.381 -0.073 25439 8477 1 12 . 1 1 41 41 LEU CA C 41 55.335 55.335 55.771 -0.436 25439 8478 1 12 . 1 1 41 41 LEU CB C 41 42.212 42.212 42.814 -0.602 25439 8479 1 12 . 1 1 41 41 LEU H H 41 8.068 8.068 8.348 -0.280 25439 8480 1 12 . 1 1 42 42 ALA N N 42 123.964 123.964 122.183 1.781 25439 8481 1 12 . 1 1 42 42 ALA HA H 42 4.274 4.274 4.657 -0.383 25439 8482 1 12 . 1 1 42 42 ALA CA C 42 52.851 52.851 51.681 1.170 25439 8483 1 12 . 1 1 42 42 ALA CB C 42 19.135 19.135 20.451 -1.316 25439 8484 1 12 . 1 1 42 42 ALA H H 42 8.111 8.111 8.030 0.081 25439 8485 1 12 . 1 1 43 43 ALA N N 43 122.146 122.146 121.700 0.446 25439 8486 1 12 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.583 -0.286 25439 8487 1 12 . 1 1 43 43 ALA CA C 43 52.727 52.727 51.228 1.499 25439 8488 1 12 . 1 1 43 43 ALA CB C 43 19.318 19.318 20.219 -0.901 25439 8489 1 12 . 1 1 43 43 ALA H H 43 8.101 8.101 8.009 0.092 25439 8490 1 12 . 1 1 44 44 LYS N N 44 119.454 119.454 120.162 -0.708 25439 8491 1 12 . 1 1 44 44 LYS HA H 44 4.349 4.349 4.015 0.334 25439 8492 1 12 . 1 1 44 44 LYS CA C 44 56.267 56.267 56.824 -0.557 25439 8493 1 12 . 1 1 44 44 LYS CB C 44 32.825 32.825 31.607 1.218 25439 8494 1 12 . 1 1 44 44 LYS H H 44 8.198 8.198 8.485 -0.287 25439 8495 1 12 . 1 1 45 45 SER N N 45 116.660 116.660 113.327 3.333 25439 8496 1 12 . 1 1 45 45 SER HA H 45 4.368 4.368 4.320 0.048 25439 8497 1 12 . 1 1 45 45 SER CA C 45 58.477 58.477 60.193 -1.716 25439 8498 1 12 . 1 1 45 45 SER CB C 45 64.063 64.063 63.895 0.168 25439 8499 1 12 . 1 1 45 45 SER H H 45 8.251 8.251 8.432 -0.181 25439 8500 1 12 . 1 1 46 46 ASN N N 46 120.516 120.516 120.976 -0.460 25439 8501 1 12 . 1 1 46 46 ASN HA H 46 4.361 4.361 4.236 0.125 25439 8502 1 12 . 1 1 46 46 ASN CA C 46 54.657 54.657 55.247 -0.590 25439 8503 1 12 . 1 1 46 46 ASN CB C 46 37.649 37.649 37.545 0.104 25439 8504 1 12 . 1 1 46 46 ASN H H 46 8.498 8.498 8.508 -0.010 25439 8505 1 12 . 1 1 47 47 GLU N N 47 117.964 117.964 117.339 0.625 25439 8506 1 12 . 1 1 47 47 GLU HA H 47 3.350 3.350 3.041 0.309 25439 8507 1 12 . 1 1 47 47 GLU CA C 47 59.213 59.213 59.154 0.059 25439 8508 1 12 . 1 1 47 47 GLU CB C 47 28.998 28.998 28.843 0.155 25439 8509 1 12 . 1 1 47 47 GLU H H 47 8.016 8.016 8.365 -0.349 25439 8510 1 12 . 1 1 48 48 GLN N N 48 119.468 119.468 119.195 0.273 25439 8511 1 12 . 1 1 48 48 GLN HA H 48 4.250 4.250 4.047 0.203 25439 8512 1 12 . 1 1 48 48 GLN CA C 48 58.529 58.529 58.263 0.266 25439 8513 1 12 . 1 1 48 48 GLN CB C 48 28.902 28.902 28.130 0.772 25439 8514 1 12 . 1 1 48 48 GLN H H 48 7.892 7.892 7.357 0.535 25439 8515 1 12 . 1 1 49 49 LEU N N 49 120.145 120.145 120.161 -0.016 25439 8516 1 12 . 1 1 49 49 LEU HA H 49 4.232 4.232 3.934 0.298 25439 8517 1 12 . 1 1 49 49 LEU CA C 49 57.479 57.479 57.905 -0.426 25439 8518 1 12 . 1 1 49 49 LEU CB C 49 41.391 41.391 41.856 -0.465 25439 8519 1 12 . 1 1 49 49 LEU H H 49 7.699 7.699 7.335 0.364 25439 8520 1 12 . 1 1 50 50 TRP N N 50 119.596 119.596 117.802 1.794 25439 8521 1 12 . 1 1 50 50 TRP HA H 50 4.520 4.520 4.500 0.020 25439 8522 1 12 . 1 1 50 50 TRP CA C 50 58.353 58.353 57.195 1.158 25439 8523 1 12 . 1 1 50 50 TRP CB C 50 28.880 28.880 28.048 0.832 25439 8524 1 12 . 1 1 50 50 TRP H H 50 8.385 8.385 7.605 0.780 25439 8525 1 12 . 1 1 51 51 GLU N N 51 119.362 119.362 119.659 -0.297 25439 8526 1 12 . 1 1 51 51 GLU HA H 51 4.145 4.145 4.113 0.032 25439 8527 1 12 . 1 1 51 51 GLU CA C 51 60.035 60.035 59.468 0.567 25439 8528 1 12 . 1 1 51 51 GLU CB C 51 29.675 29.675 29.212 0.463 25439 8529 1 12 . 1 1 51 51 GLU H H 51 8.223 8.223 7.836 0.387 25439 8530 1 12 . 1 1 52 52 ILE N N 52 119.018 119.018 119.554 -0.536 25439 8531 1 12 . 1 1 52 52 ILE HA H 52 3.673 3.673 3.708 -0.035 25439 8532 1 12 . 1 1 52 52 ILE CA C 52 65.511 65.511 65.277 0.234 25439 8533 1 12 . 1 1 52 52 ILE CB C 52 38.532 38.532 38.202 0.330 25439 8534 1 12 . 1 1 52 52 ILE H H 52 7.801 7.801 7.612 0.189 25439 8535 1 12 . 1 1 53 53 MET N N 53 118.133 118.133 116.873 1.260 25439 8536 1 12 . 1 1 53 53 MET HA H 53 4.452 4.452 4.105 0.347 25439 8537 1 12 . 1 1 53 53 MET CA C 53 58.216 58.216 58.601 -0.385 25439 8538 1 12 . 1 1 53 53 MET CB C 53 31.838 31.838 31.953 -0.115 25439 8539 1 12 . 1 1 53 53 MET H H 53 8.411 8.411 7.538 0.873 25439 8540 1 12 . 1 1 54 54 GLN N N 54 120.855 120.855 118.713 2.142 25439 8541 1 12 . 1 1 54 54 GLN HA H 54 4.333 4.333 4.040 0.293 25439 8542 1 12 . 1 1 54 54 GLN CA C 54 59.004 59.004 58.640 0.364 25439 8543 1 12 . 1 1 54 54 GLN CB C 54 27.824 27.824 28.796 -0.972 25439 8544 1 12 . 1 1 54 54 GLN H H 54 8.860 8.860 8.566 0.294 25439 8545 1 12 . 1 1 55 55 LEU N N 55 122.788 122.788 120.067 2.721 25439 8546 1 12 . 1 1 55 55 LEU HA H 55 4.302 4.302 4.170 0.132 25439 8547 1 12 . 1 1 55 55 LEU CA C 55 58.685 58.685 58.015 0.670 25439 8548 1 12 . 1 1 55 55 LEU CB C 55 42.695 42.695 41.775 0.920 25439 8549 1 12 . 1 1 55 55 LEU H H 55 8.298 8.298 8.202 0.096 25439 8550 1 12 . 1 1 56 56 HIS N N 56 118.426 118.426 117.953 0.473 25439 8551 1 12 . 1 1 56 56 HIS HA H 56 4.317 4.317 4.207 0.110 25439 8552 1 12 . 1 1 56 56 HIS CA C 56 60.732 60.732 60.306 0.426 25439 8553 1 12 . 1 1 56 56 HIS CB C 56 30.530 30.530 29.675 0.855 25439 8554 1 12 . 1 1 56 56 HIS H H 56 8.416 8.416 7.783 0.633 25439 8555 1 12 . 1 1 57 57 HIS N N 57 121.197 121.197 119.376 1.821 25439 8556 1 12 . 1 1 57 57 HIS HA H 57 4.318 4.318 4.583 -0.265 25439 8557 1 12 . 1 1 57 57 HIS CA C 57 60.739 60.739 58.858 1.881 25439 8558 1 12 . 1 1 57 57 HIS CB C 57 28.726 28.726 30.178 -1.452 25439 8559 1 12 . 1 1 57 57 HIS H H 57 8.608 8.608 8.309 0.299 25439 8560 1 12 . 1 1 58 58 GLN N N 58 118.739 118.739 118.704 0.035 25439 8561 1 12 . 1 1 58 58 GLN HA H 58 4.202 4.202 4.167 0.035 25439 8562 1 12 . 1 1 58 58 GLN CA C 58 59.507 59.507 59.543 -0.036 25439 8563 1 12 . 1 1 58 58 GLN CB C 58 29.111 29.111 28.625 0.486 25439 8564 1 12 . 1 1 58 58 GLN H H 58 9.206 9.206 8.349 0.857 25439 8565 1 12 . 1 1 59 59 ARG N N 59 122.498 122.498 120.123 2.375 25439 8566 1 12 . 1 1 59 59 ARG HA H 59 3.437 3.437 3.616 -0.179 25439 8567 1 12 . 1 1 59 59 ARG CA C 59 60.361 60.361 59.891 0.470 25439 8568 1 12 . 1 1 59 59 ARG H H 59 8.623 8.623 8.299 0.324 25439 8569 1 12 . 1 1 60 60 SER N N 60 114.930 114.930 115.170 -0.240 25439 8570 1 12 . 1 1 60 60 SER HA H 60 4.515 4.515 4.297 0.218 25439 8571 1 12 . 1 1 60 60 SER CA C 60 64.832 64.832 62.139 2.693 25439 8572 1 12 . 1 1 60 60 SER CB C 60 63.583 63.583 63.016 0.567 25439 8573 1 12 . 1 1 60 60 SER H H 60 7.993 7.993 8.659 -0.666 25439 8574 1 12 . 1 1 61 61 ARG N N 61 124.417 124.417 122.681 1.736 25439 8575 1 12 . 1 1 61 61 ARG HA H 61 4.204 4.204 4.075 0.129 25439 8576 1 12 . 1 1 61 61 ARG CA C 61 58.852 58.852 59.702 -0.850 25439 8577 1 12 . 1 1 61 61 ARG CB C 61 29.077 29.077 30.194 -1.117 25439 8578 1 12 . 1 1 61 61 ARG H H 61 9.569 9.569 8.464 1.105 25439 8579 1 12 . 1 1 62 62 TYR N N 62 124.484 124.484 121.209 3.275 25439 8580 1 12 . 1 1 62 62 TYR HA H 62 4.676 4.676 4.292 0.385 25439 8581 1 12 . 1 1 62 62 TYR CA C 62 61.006 61.006 62.039 -1.033 25439 8582 1 12 . 1 1 62 62 TYR CB C 62 38.392 38.392 38.743 -0.352 25439 8583 1 12 . 1 1 62 62 TYR H H 62 8.622 8.622 8.411 0.211 25439 8584 1 12 . 1 1 63 63 ILE N N 63 119.789 119.789 119.064 0.725 25439 8585 1 12 . 1 1 63 63 ILE HA H 63 3.492 3.492 3.746 -0.254 25439 8586 1 12 . 1 1 63 63 ILE CA C 63 65.693 65.693 65.644 0.049 25439 8587 1 12 . 1 1 63 63 ILE CB C 63 38.023 38.023 38.220 -0.197 25439 8588 1 12 . 1 1 63 63 ILE H H 63 7.588 7.588 8.507 -0.919 25439 8589 1 12 . 1 1 64 64 TYR N N 64 120.485 120.485 121.564 -1.079 25439 8590 1 12 . 1 1 64 64 TYR HA H 64 4.577 4.577 4.269 0.308 25439 8591 1 12 . 1 1 64 64 TYR CA C 64 61.759 61.759 62.859 -1.100 25439 8592 1 12 . 1 1 64 64 TYR CB C 64 39.772 39.772 38.525 1.247 25439 8593 1 12 . 1 1 64 64 TYR H H 64 9.166 9.166 9.197 -0.031 25439 8594 1 12 . 1 1 65 65 THR N N 65 117.072 117.072 117.314 -0.242 25439 8595 1 12 . 1 1 65 65 THR HA H 65 3.562 3.562 4.056 -0.494 25439 8596 1 12 . 1 1 65 65 THR CA C 65 67.016 67.016 68.015 -0.999 25439 8597 1 12 . 1 1 65 65 THR CB C 65 68.711 68.711 68.602 0.109 25439 8598 1 12 . 1 1 65 65 THR H H 65 8.987 8.987 8.910 0.077 25439 8599 1 12 . 1 1 66 66 LEU N N 66 122.107 122.107 120.353 1.754 25439 8600 1 12 . 1 1 66 66 LEU HA H 66 3.782 3.782 4.307 -0.525 25439 8601 1 12 . 1 1 66 66 LEU CA C 66 58.476 58.476 58.082 0.394 25439 8602 1 12 . 1 1 66 66 LEU CB C 66 43.183 43.183 41.036 2.147 25439 8603 1 12 . 1 1 66 66 LEU H H 66 8.286 8.286 7.641 0.645 25439 8604 1 12 . 1 1 67 67 TYR N N 67 115.264 115.264 119.413 -4.149 25439 8605 1 12 . 1 1 67 67 TYR HA H 67 4.344 4.344 4.069 0.275 25439 8606 1 12 . 1 1 67 67 TYR CA C 67 60.830 60.830 61.446 -0.616 25439 8607 1 12 . 1 1 67 67 TYR CB C 67 40.376 40.376 39.423 0.953 25439 8608 1 12 . 1 1 67 67 TYR H H 67 7.983 7.983 8.299 -0.316 25439 8609 1 12 . 1 1 68 68 TYR N N 68 113.945 113.945 115.609 -1.664 25439 8610 1 12 . 1 1 68 68 TYR HA H 68 3.699 3.699 4.285 -0.586 25439 8611 1 12 . 1 1 68 68 TYR CA C 68 62.030 62.030 59.685 2.345 25439 8612 1 12 . 1 1 68 68 TYR CB C 68 38.046 38.046 38.612 -0.566 25439 8613 1 12 . 1 1 68 68 TYR H H 68 8.297 8.297 8.128 0.169 25439 8614 1 12 . 1 1 69 69 LYS N N 69 114.346 114.346 117.419 -3.073 25439 8615 1 12 . 1 1 69 69 LYS HA H 69 4.564 4.564 4.459 0.105 25439 8616 1 12 . 1 1 69 69 LYS CA C 69 56.821 56.821 57.248 -0.427 25439 8617 1 12 . 1 1 69 69 LYS CB C 69 31.980 31.980 33.617 -1.637 25439 8618 1 12 . 1 1 69 69 LYS H H 69 7.084 7.084 7.548 -0.464 25439 8619 1 12 . 1 1 70 70 ARG N N 70 114.676 114.676 118.477 -3.801 25439 8620 1 12 . 1 1 70 70 ARG HA H 70 4.251 4.251 4.262 -0.011 25439 8621 1 12 . 1 1 70 70 ARG CA C 70 56.314 56.314 56.845 -0.531 25439 8622 1 12 . 1 1 70 70 ARG CB C 70 31.128 31.128 30.902 0.226 25439 8623 1 12 . 1 1 70 70 ARG H H 70 8.178 8.178 7.754 0.424 25439 8624 1 12 . 1 1 71 71 LYS N N 71 115.371 115.371 116.609 -1.238 25439 8625 1 12 . 1 1 71 71 LYS HA H 71 4.036 4.036 3.719 0.317 25439 8626 1 12 . 1 1 71 71 LYS CA C 71 57.121 57.121 56.822 0.299 25439 8627 1 12 . 1 1 71 71 LYS CB C 71 28.897 28.897 30.325 -1.428 25439 8628 1 12 . 1 1 71 71 LYS H H 71 6.843 6.843 7.855 -1.012 25439 8629 1 12 . 1 1 72 72 ALA N N 72 117.701 117.701 120.879 -3.178 25439 8630 1 12 . 1 1 72 72 ALA HA H 72 4.395 4.395 4.388 0.007 25439 8631 1 12 . 1 1 72 72 ALA CA C 72 52.597 52.597 51.902 0.695 25439 8632 1 12 . 1 1 72 72 ALA CB C 72 21.560 21.560 19.602 1.958 25439 8633 1 12 . 1 1 72 72 ALA H H 72 8.560 8.560 7.684 0.876 25439 8634 1 12 . 1 1 73 73 ILE N N 73 107.605 107.605 117.075 -9.470 25439 8635 1 12 . 1 1 73 73 ILE CB C 73 42.724 42.724 41.469 1.255 25439 8636 1 12 . 1 1 73 73 ILE H H 73 7.074 7.074 7.335 -0.261 25439 8637 1 12 . 1 1 74 74 SER N N 74 118.425 118.425 119.128 -0.703 25439 8638 1 12 . 1 1 74 74 SER HA H 74 4.484 4.484 4.858 -0.374 25439 8639 1 12 . 1 1 74 74 SER CA C 74 57.082 57.082 57.005 0.077 25439 8640 1 12 . 1 1 74 74 SER CB C 74 65.396 65.396 65.687 -0.291 25439 8641 1 12 . 1 1 74 74 SER H H 74 8.797 8.797 8.356 0.441 25439 8642 1 12 . 1 1 75 75 LYS N N 75 121.891 121.891 124.549 -2.658 25439 8643 1 12 . 1 1 75 75 LYS HA H 75 3.851 3.851 4.255 -0.404 25439 8644 1 12 . 1 1 75 75 LYS CA C 75 59.624 59.624 59.749 -0.125 25439 8645 1 12 . 1 1 75 75 LYS CB C 75 32.368 32.368 32.219 0.149 25439 8646 1 12 . 1 1 75 75 LYS H H 75 9.024 9.024 9.228 -0.204 25439 8647 1 12 . 1 1 76 76 ASP N N 76 115.908 115.908 118.216 -2.308 25439 8648 1 12 . 1 1 76 76 ASP HA H 76 4.423 4.423 4.407 0.016 25439 8649 1 12 . 1 1 76 76 ASP CA C 76 57.362 57.362 57.340 0.022 25439 8650 1 12 . 1 1 76 76 ASP CB C 76 40.391 40.391 40.224 0.168 25439 8651 1 12 . 1 1 76 76 ASP H H 76 8.161 8.161 8.543 -0.382 25439 8652 1 12 . 1 1 77 77 LEU N N 77 121.705 121.705 121.195 0.510 25439 8653 1 12 . 1 1 77 77 LEU HA H 77 4.180 4.180 4.127 0.053 25439 8654 1 12 . 1 1 77 77 LEU CA C 77 57.818 57.818 57.777 0.041 25439 8655 1 12 . 1 1 77 77 LEU H H 77 8.345 8.345 7.483 0.862 25439 8656 1 12 . 1 1 78 78 TYR N N 78 121.511 121.511 119.961 1.550 25439 8657 1 12 . 1 1 78 78 TYR HA H 78 3.789 3.789 3.975 -0.186 25439 8658 1 12 . 1 1 78 78 TYR CA C 78 62.857 62.857 60.528 2.329 25439 8659 1 12 . 1 1 78 78 TYR CB C 78 38.369 38.369 37.740 0.629 25439 8660 1 12 . 1 1 78 78 TYR H H 78 8.598 8.598 8.631 -0.033 25439 8661 1 12 . 1 1 79 79 ASP N N 79 117.189 117.189 119.761 -2.572 25439 8662 1 12 . 1 1 79 79 ASP HA H 79 4.066 4.066 4.054 0.012 25439 8663 1 12 . 1 1 79 79 ASP CA C 79 57.219 57.219 57.584 -0.365 25439 8664 1 12 . 1 1 79 79 ASP CB C 79 40.003 40.003 40.762 -0.759 25439 8665 1 12 . 1 1 79 79 ASP H H 79 9.106 9.106 8.562 0.544 25439 8666 1 12 . 1 1 80 80 TRP N N 80 123.400 123.400 121.752 1.648 25439 8667 1 12 . 1 1 80 80 TRP HA H 80 4.160 4.160 4.118 0.042 25439 8668 1 12 . 1 1 80 80 TRP CA C 80 62.368 62.368 62.108 0.260 25439 8669 1 12 . 1 1 80 80 TRP CB C 80 29.969 29.969 29.454 0.515 25439 8670 1 12 . 1 1 80 80 TRP H H 80 7.931 7.931 8.363 -0.432 25439 8671 1 12 . 1 1 81 81 LEU N N 81 119.674 119.674 118.799 0.875 25439 8672 1 12 . 1 1 81 81 LEU HA H 81 3.971 3.971 2.709 1.262 25439 8673 1 12 . 1 1 81 81 LEU CA C 81 58.294 58.294 57.668 0.626 25439 8674 1 12 . 1 1 81 81 LEU CB C 81 41.818 41.818 41.572 0.246 25439 8675 1 12 . 1 1 81 81 LEU H H 81 8.814 8.814 8.287 0.527 25439 8676 1 12 . 1 1 82 82 ILE N N 82 118.746 118.746 119.193 -0.447 25439 8677 1 12 . 1 1 82 82 ILE HA H 82 3.861 3.861 3.884 -0.023 25439 8678 1 12 . 1 1 82 82 ILE CA C 82 62.734 62.734 64.117 -1.383 25439 8679 1 12 . 1 1 82 82 ILE CB C 82 36.236 36.236 37.998 -1.762 25439 8680 1 12 . 1 1 82 82 ILE H H 82 7.886 7.886 7.608 0.278 25439 8681 1 12 . 1 1 83 83 LYS N N 83 124.819 124.819 118.832 5.987 25439 8682 1 12 . 1 1 83 83 LYS HA H 83 3.911 3.911 4.113 -0.202 25439 8683 1 12 . 1 1 83 83 LYS CA C 83 59.643 59.643 57.831 1.812 25439 8684 1 12 . 1 1 83 83 LYS CB C 83 32.027 32.027 32.766 -0.739 25439 8685 1 12 . 1 1 83 83 LYS H H 83 8.224 8.224 7.805 0.419 25439 8686 1 12 . 1 1 84 84 GLU N N 84 115.404 115.404 118.299 -2.895 25439 8687 1 12 . 1 1 84 84 GLU HA H 84 3.841 3.841 4.315 -0.474 25439 8688 1 12 . 1 1 84 84 GLU CA C 84 55.582 55.582 54.493 1.089 25439 8689 1 12 . 1 1 84 84 GLU CB C 84 29.459 29.459 28.797 0.662 25439 8690 1 12 . 1 1 84 84 GLU H H 84 8.138 8.138 7.216 0.922 25439 8691 1 12 . 1 1 85 85 LYS N N 85 111.563 111.563 118.522 -6.959 25439 8692 1 12 . 1 1 85 85 LYS HA H 85 3.820 3.820 4.063 -0.243 25439 8693 1 12 . 1 1 85 85 LYS CA C 85 57.890 57.890 57.148 0.742 25439 8694 1 12 . 1 1 85 85 LYS CB C 85 28.005 28.005 30.924 -2.919 25439 8695 1 12 . 1 1 85 85 LYS H H 85 7.719 7.719 8.061 -0.342 25439 8696 1 12 . 1 1 86 86 TYR N N 86 116.916 116.916 119.312 -2.396 25439 8697 1 12 . 1 1 86 86 TYR HA H 86 4.137 4.137 4.419 -0.282 25439 8698 1 12 . 1 1 86 86 TYR CA C 86 61.228 61.228 58.740 2.487 25439 8699 1 12 . 1 1 86 86 TYR CB C 86 39.535 39.535 40.601 -1.066 25439 8700 1 12 . 1 1 86 86 TYR H H 86 8.521 8.521 8.216 0.305 25439 8701 1 12 . 1 1 87 87 ALA N N 87 113.715 113.715 119.684 -5.969 25439 8702 1 12 . 1 1 87 87 ALA HA H 87 4.738 4.738 4.105 0.633 25439 8703 1 12 . 1 1 87 87 ALA CA C 87 49.121 49.121 50.680 -1.559 25439 8704 1 12 . 1 1 87 87 ALA CB C 87 23.295 23.295 22.467 0.828 25439 8705 1 12 . 1 1 87 87 ALA H H 87 6.959 6.959 7.461 -0.502 25439 8706 1 12 . 1 1 88 88 ASP N N 88 119.344 119.344 119.828 -0.484 25439 8707 1 12 . 1 1 88 88 ASP HA H 88 4.544 4.544 4.999 -0.455 25439 8708 1 12 . 1 1 88 88 ASP CA C 88 52.714 52.714 52.761 -0.047 25439 8709 1 12 . 1 1 88 88 ASP CB C 88 41.845 41.845 42.963 -1.118 25439 8710 1 12 . 1 1 88 88 ASP H H 88 7.870 7.870 8.730 -0.860 25439 8711 1 12 . 1 1 89 89 LYS N N 89 125.312 125.312 126.554 -1.242 25439 8712 1 12 . 1 1 89 89 LYS HA H 89 3.834 3.834 4.089 -0.255 25439 8713 1 12 . 1 1 89 89 LYS CA C 89 59.409 59.409 59.835 -0.426 25439 8714 1 12 . 1 1 89 89 LYS CB C 89 32.848 32.848 32.539 0.309 25439 8715 1 12 . 1 1 89 89 LYS H H 89 8.467 8.467 8.773 -0.306 25439 8716 1 12 . 1 1 90 90 LEU N N 90 119.899 119.899 120.499 -0.600 25439 8717 1 12 . 1 1 90 90 LEU HA H 90 4.023 4.023 4.020 0.003 25439 8718 1 12 . 1 1 90 90 LEU CA C 90 57.049 57.049 58.011 -0.962 25439 8719 1 12 . 1 1 90 90 LEU CB C 90 41.099 41.099 41.670 -0.571 25439 8720 1 12 . 1 1 90 90 LEU H H 90 8.076 8.076 8.046 0.030 25439 8721 1 12 . 1 1 91 91 LEU N N 91 123.148 123.148 120.178 2.970 25439 8722 1 12 . 1 1 91 91 LEU HA H 91 3.498 3.498 3.748 -0.250 25439 8723 1 12 . 1 1 91 91 LEU CA C 91 56.971 56.971 57.727 -0.756 25439 8724 1 12 . 1 1 91 91 LEU CB C 91 41.823 41.823 41.608 0.214 25439 8725 1 12 . 1 1 91 91 LEU H H 91 7.120 7.120 7.705 -0.585 25439 8726 1 12 . 1 1 92 92 ILE N N 92 116.780 116.780 118.747 -1.967 25439 8727 1 12 . 1 1 92 92 ILE HA H 92 3.265 3.265 3.858 -0.593 25439 8728 1 12 . 1 1 92 92 ILE CA C 92 65.178 65.178 65.538 -0.360 25439 8729 1 12 . 1 1 92 92 ILE CB C 92 38.209 38.209 37.848 0.361 25439 8730 1 12 . 1 1 92 92 ILE H H 92 7.384 7.384 7.778 -0.394 25439 8731 1 12 . 1 1 93 93 ALA N N 93 117.061 117.061 122.207 -5.146 25439 8732 1 12 . 1 1 93 93 ALA HA H 93 3.930 3.930 4.049 -0.119 25439 8733 1 12 . 1 1 93 93 ALA CA C 93 54.839 54.839 55.537 -0.698 25439 8734 1 12 . 1 1 93 93 ALA CB C 93 18.125 18.125 18.171 -0.046 25439 8735 1 12 . 1 1 93 93 ALA H H 93 7.437 7.437 8.680 -1.243 25439 8736 1 12 . 1 1 94 94 LYS N N 94 116.036 116.036 118.997 -2.961 25439 8737 1 12 . 1 1 94 94 LYS HA H 94 3.803 3.803 3.714 0.089 25439 8738 1 12 . 1 1 94 94 LYS CA C 94 56.945 56.945 58.641 -1.696 25439 8739 1 12 . 1 1 94 94 LYS CB C 94 31.047 31.047 31.622 -0.575 25439 8740 1 12 . 1 1 94 94 LYS H H 94 7.012 7.012 7.742 -0.730 25439 8741 1 12 . 1 1 95 95 TRP N N 95 118.700 118.700 116.761 1.939 25439 8742 1 12 . 1 1 95 95 TRP HA H 95 4.814 4.814 4.526 0.288 25439 8743 1 12 . 1 1 95 95 TRP CA C 95 57.136 57.136 59.389 -2.253 25439 8744 1 12 . 1 1 95 95 TRP CB C 95 28.171 28.171 28.958 -0.787 25439 8745 1 12 . 1 1 95 95 TRP H H 95 7.611 7.611 7.524 0.087 25439 8746 1 12 . 1 1 96 96 ARG N N 96 113.031 113.031 116.710 -3.679 25439 8747 1 12 . 1 1 96 96 ARG HA H 96 4.233 4.233 4.373 -0.140 25439 8748 1 12 . 1 1 96 96 ARG CA C 96 56.234 56.234 57.169 -0.935 25439 8749 1 12 . 1 1 96 96 ARG CB C 96 30.245 30.245 30.461 -0.216 25439 8750 1 12 . 1 1 96 96 ARG H H 96 7.066 7.066 7.349 -0.283 25439 8751 1 12 . 1 1 97 97 LYS N N 97 123.252 123.252 119.251 4.001 25439 8752 1 12 . 1 1 97 97 LYS HA H 97 4.634 4.634 4.253 0.381 25439 8753 1 12 . 1 1 97 97 LYS CA C 97 54.937 54.937 57.274 -2.337 25439 8754 1 12 . 1 1 97 97 LYS CB C 97 34.166 34.166 32.764 1.402 25439 8755 1 12 . 1 1 97 97 LYS H H 97 8.467 8.467 8.148 0.319 25439 8756 1 12 . 1 1 98 98 THR N N 98 119.993 119.993 114.657 5.336 25439 8757 1 12 . 1 1 98 98 THR HA H 98 4.224 4.224 4.448 -0.224 25439 8758 1 12 . 1 1 98 98 THR CA C 98 64.670 64.670 62.059 2.611 25439 8759 1 12 . 1 1 98 98 THR CB C 98 69.200 69.200 69.368 -0.168 25439 8760 1 12 . 1 1 98 98 THR H H 98 8.329 8.329 8.151 0.178 25439 8761 1 12 . 1 1 99 99 GLY N N 99 116.645 116.645 115.855 0.790 25439 8762 1 12 . 1 1 99 99 GLY CA C 99 45.047 45.047 45.017 0.030 25439 8763 1 12 . 1 1 99 99 GLY H H 99 9.273 9.273 8.810 0.463 25439 8764 1 12 . 1 1 100 100 TYR N N 100 120.784 120.784 122.417 -1.633 25439 8765 1 12 . 1 1 100 100 TYR HA H 100 4.704 4.704 4.616 0.088 25439 8766 1 12 . 1 1 100 100 TYR CA C 100 57.697 57.697 56.522 1.175 25439 8767 1 12 . 1 1 100 100 TYR CB C 100 39.413 39.413 36.033 3.380 25439 8768 1 12 . 1 1 100 100 TYR H H 100 8.457 8.457 8.134 0.323 25439 8769 1 12 . 1 1 101 101 GLU N N 101 119.482 119.482 121.213 -1.731 25439 8770 1 12 . 1 1 101 101 GLU HA H 101 4.601 4.601 4.274 0.327 25439 8771 1 12 . 1 1 101 101 GLU CA C 101 61.207 61.207 58.591 2.616 25439 8772 1 12 . 1 1 101 101 GLU CB C 101 29.648 29.648 30.329 -0.681 25439 8773 1 12 . 1 1 101 101 GLU H H 101 9.836 9.836 7.894 1.942 25439 8774 1 12 . 1 1 102 102 LYS N N 102 115.179 115.179 119.945 -4.766 25439 8775 1 12 . 1 1 102 102 LYS HA H 102 4.295 4.295 4.690 -0.395 25439 8776 1 12 . 1 1 102 102 LYS CA C 102 54.207 54.207 55.330 -1.123 25439 8777 1 12 . 1 1 102 102 LYS CB C 102 32.489 32.489 32.760 -0.271 25439 8778 1 12 . 1 1 102 102 LYS H H 102 8.291 8.291 8.098 0.193 25439 8779 1 12 . 1 1 103 103 LEU N N 103 119.637 119.637 120.160 -0.523 25439 8780 1 12 . 1 1 103 103 LEU HA H 103 4.385 4.385 5.056 -0.671 25439 8781 1 12 . 1 1 103 103 LEU CA C 103 56.549 56.549 54.140 2.409 25439 8782 1 12 . 1 1 103 103 LEU CB C 103 43.864 43.864 44.718 -0.854 25439 8783 1 12 . 1 1 103 103 LEU H H 103 7.642 7.642 8.149 -0.507 25439 8784 1 12 . 1 1 104 104 CYS N N 104 129.651 129.651 117.276 12.375 25439 8785 1 12 . 1 1 104 104 CYS HA H 104 4.498 4.498 4.992 -0.494 25439 8786 1 12 . 1 1 104 104 CYS CA C 104 58.076 58.076 58.464 -0.388 25439 8787 1 12 . 1 1 104 104 CYS CB C 104 32.301 32.301 28.225 4.076 25439 8788 1 12 . 1 1 104 104 CYS H H 104 8.638 8.638 8.843 -0.205 25439 8789 1 12 . 1 1 105 105 CYS N N 105 120.206 120.206 118.288 1.918 25439 8790 1 12 . 1 1 105 105 CYS HA H 105 4.806 4.806 4.748 0.058 25439 8791 1 12 . 1 1 105 105 CYS CA C 105 58.271 58.271 56.998 1.273 25439 8792 1 12 . 1 1 105 105 CYS CB C 105 32.062 32.062 29.939 2.123 25439 8793 1 12 . 1 1 105 105 CYS H H 105 8.158 8.158 7.993 0.165 25439 8794 1 12 . 1 1 106 106 LEU N N 106 115.513 115.513 120.831 -5.318 25439 8795 1 12 . 1 1 106 106 LEU HA H 106 4.054 4.054 4.182 -0.128 25439 8796 1 12 . 1 1 106 106 LEU CA C 106 56.110 56.110 56.524 -0.414 25439 8797 1 12 . 1 1 106 106 LEU CB C 106 41.227 41.227 42.234 -1.008 25439 8798 1 12 . 1 1 106 106 LEU H H 106 8.466 8.466 8.116 0.350 25439 8799 1 12 . 1 1 107 107 ARG N N 107 122.711 122.711 119.368 3.343 25439 8800 1 12 . 1 1 107 107 ARG HA H 107 3.993 3.993 4.354 -0.361 25439 8801 1 12 . 1 1 107 107 ARG CA C 107 58.311 58.311 56.394 1.917 25439 8802 1 12 . 1 1 107 107 ARG CB C 107 28.965 28.965 30.423 -1.458 25439 8803 1 12 . 1 1 107 107 ARG H H 107 8.131 8.131 8.127 0.004 25439 8804 1 12 . 1 1 108 108 CYS N N 108 119.055 119.055 118.191 0.864 25439 8805 1 12 . 1 1 108 108 CYS HA H 108 4.101 4.101 4.783 -0.682 25439 8806 1 12 . 1 1 108 108 CYS CA C 108 63.936 63.936 57.915 6.021 25439 8807 1 12 . 1 1 108 108 CYS CB C 108 30.934 30.934 27.830 3.104 25439 8808 1 12 . 1 1 108 108 CYS H H 108 8.010 8.010 8.008 0.002 25439 8809 1 12 . 1 1 109 109 ILE N N 109 107.315 107.315 114.513 -7.198 25439 8810 1 12 . 1 1 109 109 ILE HA H 109 4.684 4.684 4.471 0.213 25439 8811 1 12 . 1 1 109 109 ILE CA C 109 60.483 60.483 60.979 -0.496 25439 8812 1 12 . 1 1 109 109 ILE CB C 109 38.320 38.320 38.896 -0.576 25439 8813 1 12 . 1 1 109 109 ILE H H 109 7.105 7.105 7.518 -0.413 25439 8814 1 12 . 1 1 110 110 GLN N N 110 122.468 122.468 118.176 4.292 25439 8815 1 12 . 1 1 110 110 GLN HA H 110 4.268 4.268 4.574 -0.306 25439 8816 1 12 . 1 1 110 110 GLN CA C 110 55.981 55.981 55.108 0.873 25439 8817 1 12 . 1 1 110 110 GLN CB C 110 29.656 29.656 33.374 -3.718 25439 8818 1 12 . 1 1 110 110 GLN H H 110 7.156 7.156 7.788 -0.632 25439 8819 1 12 . 1 1 111 111 LYS N N 111 124.650 124.650 119.426 5.224 25439 8820 1 12 . 1 1 111 111 LYS HA H 111 4.246 4.246 4.948 -0.702 25439 8821 1 12 . 1 1 111 111 LYS CA C 111 56.546 56.546 54.554 1.992 25439 8822 1 12 . 1 1 111 111 LYS CB C 111 32.846 32.846 33.837 -0.991 25439 8823 1 12 . 1 1 111 111 LYS H H 111 8.522 8.522 8.356 0.166 25439 8824 1 12 . 1 1 112 112 ASN N N 112 120.972 120.972 117.040 3.932 25439 8825 1 12 . 1 1 112 112 ASN HA H 112 4.778 4.778 4.765 0.013 25439 8826 1 12 . 1 1 112 112 ASN CA C 112 52.902 52.902 53.978 -1.077 25439 8827 1 12 . 1 1 112 112 ASN CB C 112 39.328 39.328 39.999 -0.671 25439 8828 1 12 . 1 1 112 112 ASN H H 112 8.360 8.360 8.294 0.066 25439 8829 1 12 . 1 1 113 113 GLU N N 113 121.710 121.710 117.040 4.670 25439 8830 1 12 . 1 1 113 113 GLU HA H 113 4.248 4.248 4.630 -0.382 25439 8831 1 12 . 1 1 113 113 GLU CA C 113 58.611 58.611 55.509 3.102 25439 8832 1 12 . 1 1 113 113 GLU CB C 113 29.590 29.590 31.729 -2.139 25439 8833 1 12 . 1 1 113 113 GLU H H 113 9.023 9.023 8.026 0.997 25439 8834 1 12 . 1 1 114 114 THR N N 114 112.186 112.186 113.266 -1.080 25439 8835 1 12 . 1 1 114 114 THR HA H 114 4.321 4.321 4.393 -0.072 25439 8836 1 12 . 1 1 114 114 THR CA C 114 63.161 63.161 63.377 -0.216 25439 8837 1 12 . 1 1 114 114 THR CB C 114 69.481 69.481 69.225 0.256 25439 8838 1 12 . 1 1 114 114 THR H H 114 8.112 8.112 8.346 -0.234 25439 8839 1 12 . 1 1 115 115 ASN N N 115 119.112 119.112 119.392 -0.280 25439 8840 1 12 . 1 1 115 115 ASN HA H 115 4.829 4.829 4.879 -0.050 25439 8841 1 12 . 1 1 115 115 ASN CA C 115 53.110 53.110 53.424 -0.314 25439 8842 1 12 . 1 1 115 115 ASN CB C 115 38.659 38.659 38.915 -0.256 25439 8843 1 12 . 1 1 115 115 ASN H H 115 8.047 8.047 8.094 -0.047 25439 8844 1 12 . 1 1 116 116 ASN N N 116 117.175 117.175 117.510 -0.335 25439 8845 1 12 . 1 1 116 116 ASN HA H 116 4.615 4.615 4.807 -0.192 25439 8846 1 12 . 1 1 116 116 ASN CA C 116 53.965 53.965 54.015 -0.050 25439 8847 1 12 . 1 1 116 116 ASN CB C 116 38.173 38.173 38.628 -0.455 25439 8848 1 12 . 1 1 116 116 ASN H H 116 8.364 8.364 8.175 0.189 25439 8849 1 12 . 1 1 117 117 GLY N N 117 107.294 107.294 107.345 -0.051 25439 8850 1 12 . 1 1 117 117 GLY CA C 117 45.882 45.882 45.080 0.802 25439 8851 1 12 . 1 1 117 117 GLY H H 117 8.264 8.264 7.940 0.324 25439 8852 1 12 . 1 1 118 118 SER N N 118 115.475 115.475 114.978 0.497 25439 8853 1 12 . 1 1 118 118 SER HA H 118 4.586 4.586 4.801 -0.215 25439 8854 1 12 . 1 1 118 118 SER CA C 118 57.974 57.974 57.471 0.503 25439 8855 1 12 . 1 1 118 118 SER CB C 118 64.479 64.479 66.157 -1.678 25439 8856 1 12 . 1 1 118 118 SER H H 118 7.905 7.905 8.168 -0.263 25439 8857 1 12 . 1 1 119 119 THR N N 119 111.360 111.360 116.276 -4.916 25439 8858 1 12 . 1 1 119 119 THR HA H 119 4.450 4.450 4.868 -0.418 25439 8859 1 12 . 1 1 119 119 THR CA C 119 61.215 61.215 61.267 -0.052 25439 8860 1 12 . 1 1 119 119 THR CB C 119 70.569 70.569 70.304 0.265 25439 8861 1 12 . 1 1 119 119 THR H H 119 8.044 8.044 8.189 -0.145 25439 8862 1 12 . 1 1 120 120 CYS N N 120 122.708 122.708 123.539 -0.831 25439 8863 1 12 . 1 1 120 120 CYS HA H 120 4.255 4.255 4.484 -0.229 25439 8864 1 12 . 1 1 120 120 CYS CA C 120 61.469 61.469 59.231 2.238 25439 8865 1 12 . 1 1 120 120 CYS CB C 120 30.892 30.892 28.277 2.615 25439 8866 1 12 . 1 1 120 120 CYS H H 120 8.045 8.045 8.785 -0.740 25439 8867 1 12 . 1 1 121 121 ILE N N 121 132.463 132.463 124.192 8.271 25439 8868 1 12 . 1 1 121 121 ILE HA H 121 4.025 4.025 3.773 0.252 25439 8869 1 12 . 1 1 121 121 ILE CA C 121 63.353 63.353 63.104 0.249 25439 8870 1 12 . 1 1 121 121 ILE CB C 121 38.222 38.222 37.561 0.661 25439 8871 1 12 . 1 1 121 121 ILE H H 121 8.237 8.237 8.495 -0.258 25439 8872 1 12 . 1 1 122 122 CYS N N 122 123.931 123.931 118.233 5.698 25439 8873 1 12 . 1 1 122 122 CYS HA H 122 4.233 4.233 4.201 0.032 25439 8874 1 12 . 1 1 122 122 CYS CA C 122 60.230 60.230 60.368 -0.138 25439 8875 1 12 . 1 1 122 122 CYS CB C 122 30.602 30.602 25.914 4.688 25439 8876 1 12 . 1 1 122 122 CYS H H 122 9.355 9.355 7.545 1.810 25439 8877 1 12 . 1 1 123 123 ARG N N 123 119.561 119.561 121.120 -1.559 25439 8878 1 12 . 1 1 123 123 ARG HA H 123 4.150 4.150 4.320 -0.170 25439 8879 1 12 . 1 1 123 123 ARG CA C 123 53.177 53.177 57.968 -4.791 25439 8880 1 12 . 1 1 123 123 ARG CB C 123 27.961 27.961 30.315 -2.354 25439 8881 1 12 . 1 1 123 123 ARG H H 123 7.677 7.677 7.750 -0.073 25439 8882 1 12 . 1 1 124 124 VAL N N 124 122.794 122.794 120.927 1.867 25439 8883 1 12 . 1 1 124 124 VAL HA H 124 4.081 4.081 4.098 -0.017 25439 8884 1 12 . 1 1 124 124 VAL CA C 124 60.647 60.647 61.378 -0.731 25439 8885 1 12 . 1 1 124 124 VAL CB C 124 32.857 32.857 31.672 1.185 25439 8886 1 12 . 1 1 124 124 VAL H H 124 7.578 7.578 7.523 0.055 25439 8887 1 12 . 1 1 125 125 PRO HA H 125 4.263 4.263 4.534 -0.271 25439 8888 1 12 . 1 1 125 125 PRO CA C 125 63.268 63.268 62.265 1.003 25439 8889 1 12 . 1 1 125 125 PRO CB C 125 32.379 32.379 32.819 -0.440 25439 8890 1 12 . 1 1 126 126 ARG N N 126 128.350 128.350 119.982 8.368 25439 8891 1 12 . 1 1 126 126 ARG HA H 126 3.912 3.912 3.988 -0.076 25439 8892 1 12 . 1 1 126 126 ARG CA C 126 59.653 59.653 59.185 0.468 25439 8893 1 12 . 1 1 126 126 ARG CB C 126 29.339 29.339 29.426 -0.087 25439 8894 1 12 . 1 1 126 126 ARG H H 126 9.534 9.534 8.671 0.863 25439 8895 1 12 . 1 1 127 127 ALA N N 127 119.169 119.169 122.018 -2.849 25439 8896 1 12 . 1 1 127 127 ALA HA H 127 4.192 4.192 4.091 0.101 25439 8897 1 12 . 1 1 127 127 ALA CA C 127 55.227 55.227 54.973 0.254 25439 8898 1 12 . 1 1 127 127 ALA CB C 127 18.363 18.363 18.064 0.299 25439 8899 1 12 . 1 1 127 127 ALA H H 127 9.263 9.263 8.470 0.793 25439 8900 1 12 . 1 1 128 128 GLN N N 128 117.345 117.345 118.453 -1.108 25439 8901 1 12 . 1 1 128 128 GLN HA H 128 4.209 4.209 4.112 0.097 25439 8902 1 12 . 1 1 128 128 GLN CA C 128 58.506 58.506 58.791 -0.285 25439 8903 1 12 . 1 1 128 128 GLN CB C 128 28.220 28.220 28.179 0.041 25439 8904 1 12 . 1 1 128 128 GLN H H 128 7.448 7.448 8.355 -0.907 25439 8905 1 12 . 1 1 129 129 LEU N N 129 120.561 120.561 119.651 0.910 25439 8906 1 12 . 1 1 129 129 LEU HA H 129 4.088 4.088 3.916 0.172 25439 8907 1 12 . 1 1 129 129 LEU CA C 129 57.952 57.952 57.682 0.270 25439 8908 1 12 . 1 1 129 129 LEU CB C 129 41.817 41.817 41.757 0.060 25439 8909 1 12 . 1 1 129 129 LEU H H 129 7.622 7.622 7.616 0.006 25439 8910 1 12 . 1 1 130 130 GLU N N 130 119.122 119.122 118.637 0.485 25439 8911 1 12 . 1 1 130 130 GLU HA H 130 3.956 3.956 3.900 0.056 25439 8912 1 12 . 1 1 130 130 GLU CA C 130 59.353 59.353 59.740 -0.387 25439 8913 1 12 . 1 1 130 130 GLU CB C 130 29.337 29.337 29.307 0.030 25439 8914 1 12 . 1 1 130 130 GLU H H 130 8.656 8.656 8.475 0.181 25439 8915 1 12 . 1 1 131 131 GLU N N 131 121.469 121.469 118.900 2.569 25439 8916 1 12 . 1 1 131 131 GLU HA H 131 4.163 4.163 3.996 0.167 25439 8917 1 12 . 1 1 131 131 GLU CA C 131 59.288 59.288 59.409 -0.121 25439 8918 1 12 . 1 1 131 131 GLU CB C 131 29.422 29.422 29.552 -0.129 25439 8919 1 12 . 1 1 131 131 GLU H H 131 7.922 7.922 7.798 0.124 25439 8920 1 12 . 1 1 132 132 GLU N N 132 119.241 119.241 119.043 0.198 25439 8921 1 12 . 1 1 132 132 GLU HA H 132 3.998 3.998 4.022 -0.024 25439 8922 1 12 . 1 1 132 132 GLU CA C 132 59.327 59.327 59.193 0.134 25439 8923 1 12 . 1 1 132 132 GLU CB C 132 29.421 29.421 29.426 -0.005 25439 8924 1 12 . 1 1 132 132 GLU H H 132 8.099 8.099 7.663 0.436 25439 8925 1 12 . 1 1 133 133 ALA N N 133 121.302 121.302 121.756 -0.454 25439 8926 1 12 . 1 1 133 133 ALA HA H 133 4.053 4.053 4.015 0.038 25439 8927 1 12 . 1 1 133 133 ALA CA C 133 54.973 54.973 54.987 -0.014 25439 8928 1 12 . 1 1 133 133 ALA CB C 133 18.154 18.154 18.262 -0.108 25439 8929 1 12 . 1 1 133 133 ALA H H 133 7.795 7.795 7.495 0.300 25439 8930 1 12 . 1 1 134 134 ARG N N 134 118.757 118.757 118.008 0.749 25439 8931 1 12 . 1 1 134 134 ARG HA H 134 4.143 4.143 4.044 0.099 25439 8932 1 12 . 1 1 134 134 ARG CA C 134 59.438 59.438 58.747 0.691 25439 8933 1 12 . 1 1 134 134 ARG CB C 134 30.148 30.148 29.782 0.366 25439 8934 1 12 . 1 1 134 134 ARG H H 134 8.145 8.145 7.710 0.435 25439 8935 1 12 . 1 1 135 135 LYS N N 135 119.496 119.496 119.664 -0.168 25439 8936 1 12 . 1 1 135 135 LYS HA H 135 4.073 4.073 4.120 -0.047 25439 8937 1 12 . 1 1 135 135 LYS CA C 135 59.327 59.327 58.836 0.491 25439 8938 1 12 . 1 1 135 135 LYS CB C 135 32.539 32.539 32.344 0.195 25439 8939 1 12 . 1 1 135 135 LYS H H 135 8.036 8.036 7.666 0.370 25439 8940 1 12 . 1 1 136 136 LYS N N 136 116.645 116.645 116.698 -0.053 25439 8941 1 12 . 1 1 136 136 LYS HA H 136 4.362 4.362 4.478 -0.116 25439 8942 1 12 . 1 1 136 136 LYS CA C 136 56.575 56.575 55.209 1.366 25439 8943 1 12 . 1 1 136 136 LYS CB C 136 33.629 33.629 32.687 0.942 25439 8944 1 12 . 1 1 136 136 LYS H H 136 7.682 7.682 7.449 0.233 25439 8945 1 12 . 1 1 137 137 GLY N N 137 109.349 109.349 109.710 -0.361 25439 8946 1 12 . 1 1 137 137 GLY CA C 137 46.358 46.358 46.298 0.060 25439 8947 1 12 . 1 1 137 137 GLY H H 137 8.064 8.064 7.745 0.319 25439 8948 1 12 . 1 1 138 138 THR N N 138 112.870 112.870 113.211 -0.341 25439 8949 1 12 . 1 1 138 138 THR HA H 138 4.735 4.735 4.689 0.046 25439 8950 1 12 . 1 1 138 138 THR CA C 138 59.308 59.308 60.337 -1.028 25439 8951 1 12 . 1 1 138 138 THR CB C 138 70.755 70.755 71.113 -0.358 25439 8952 1 12 . 1 1 138 138 THR H H 138 8.111 8.111 7.989 0.122 25439 8953 1 12 . 1 1 139 139 GLN N N 139 118.177 118.177 118.873 -0.696 25439 8954 1 12 . 1 1 139 139 GLN HA H 139 4.609 4.609 4.703 -0.094 25439 8955 1 12 . 1 1 139 139 GLN CA C 139 54.435 54.435 55.206 -0.771 25439 8956 1 12 . 1 1 139 139 GLN CB C 139 30.777 30.777 31.040 -0.263 25439 8957 1 12 . 1 1 139 139 GLN H H 139 8.227 8.227 8.242 -0.015 25439 8958 1 12 . 1 1 140 140 VAL N N 140 123.601 123.601 118.453 5.148 25439 8959 1 12 . 1 1 140 140 VAL HA H 140 3.790 3.790 4.325 -0.535 25439 8960 1 12 . 1 1 140 140 VAL CA C 140 63.934 63.934 62.516 1.418 25439 8961 1 12 . 1 1 140 140 VAL CB C 140 32.154 32.154 34.376 -2.222 25439 8962 1 12 . 1 1 140 140 VAL H H 140 8.839 8.839 8.244 0.595 25439 8963 1 12 . 1 1 141 141 SER HA H 141 4.524 4.524 4.594 -0.070 25439 8964 1 12 . 1 1 141 141 SER CA C 141 57.841 57.841 57.931 -0.090 25439 8965 1 12 . 1 1 141 141 SER CB C 141 64.174 64.174 63.637 0.537 25439 8966 1 12 . 1 1 142 142 PHE N N 142 123.726 123.726 125.357 -1.631 25439 8967 1 12 . 1 1 142 142 PHE HA H 142 4.458 4.458 4.732 -0.274 25439 8968 1 12 . 1 1 142 142 PHE CA C 142 58.673 58.673 58.059 0.614 25439 8969 1 12 . 1 1 142 142 PHE CB C 142 40.055 40.055 41.227 -1.172 25439 8970 1 12 . 1 1 142 142 PHE H H 142 7.534 7.534 8.196 -0.662 25439 8971 1 12 . 1 1 143 143 HIS N N 143 126.548 126.548 117.826 8.722 25439 8972 1 12 . 1 1 143 143 HIS HA H 143 4.336 4.336 4.322 0.014 25439 8973 1 12 . 1 1 143 143 HIS CA C 143 56.837 56.837 56.518 0.319 25439 8974 1 12 . 1 1 143 143 HIS CB C 143 31.949 31.949 32.222 -0.273 25439 8975 1 12 . 1 1 143 143 HIS H H 143 8.308 8.308 7.218 1.090 25439 8976 1 12 . 1 1 144 144 GLN N N 144 115.094 115.094 116.540 -1.446 25439 8977 1 12 . 1 1 144 144 GLN HA H 144 4.433 4.433 4.559 -0.126 25439 8978 1 12 . 1 1 144 144 GLN CA C 144 54.210 54.210 53.260 0.950 25439 8979 1 12 . 1 1 144 144 GLN CB C 144 32.925 32.925 31.737 1.188 25439 8980 1 12 . 1 1 144 144 GLN H H 144 7.203 7.203 7.008 0.195 25439 8981 1 12 . 1 1 145 145 CYS N N 145 123.088 123.088 117.770 5.318 25439 8982 1 12 . 1 1 145 145 CYS HA H 145 4.961 4.961 5.131 -0.170 25439 8983 1 12 . 1 1 145 145 CYS CA C 145 57.978 57.978 56.855 1.123 25439 8984 1 12 . 1 1 145 145 CYS CB C 145 33.555 33.555 29.816 3.739 25439 8985 1 12 . 1 1 145 145 CYS H H 145 8.668 8.668 8.300 0.368 25439 8986 1 12 . 1 1 146 146 VAL N N 146 113.265 113.265 117.740 -4.475 25439 8987 1 12 . 1 1 146 146 VAL HA H 146 4.238 4.238 4.151 0.087 25439 8988 1 12 . 1 1 146 146 VAL CA C 146 64.001 64.001 65.281 -1.280 25439 8989 1 12 . 1 1 146 146 VAL CB C 146 32.157 32.157 32.107 0.050 25439 8990 1 12 . 1 1 146 146 VAL H H 146 8.198 8.198 8.255 -0.057 25439 8991 1 12 . 1 1 147 147 HIS N N 147 120.556 120.556 118.871 1.685 25439 8992 1 12 . 1 1 147 147 HIS HA H 147 4.604 4.604 4.315 0.289 25439 8993 1 12 . 1 1 147 147 HIS CA C 147 58.708 58.708 58.076 0.632 25439 8994 1 12 . 1 1 147 147 HIS CB C 147 32.204 32.204 29.284 2.920 25439 8995 1 12 . 1 1 147 147 HIS H H 147 7.151 7.151 8.182 -1.031 25439 8996 1 12 . 1 1 148 148 CYS N N 148 112.110 112.110 112.210 -0.100 25439 8997 1 12 . 1 1 148 148 CYS HA H 148 4.889 4.889 4.815 0.074 25439 8998 1 12 . 1 1 148 148 CYS CA C 148 57.952 57.952 55.537 2.415 25439 8999 1 12 . 1 1 148 148 CYS CB C 148 32.956 32.956 30.219 2.737 25439 9000 1 12 . 1 1 148 148 CYS H H 148 7.413 7.413 7.282 0.131 25439 9001 1 12 . 1 1 149 149 GLY N N 149 112.797 112.797 108.281 4.516 25439 9002 1 12 . 1 1 149 149 GLY CA C 149 45.327 45.327 44.431 0.896 25439 9003 1 12 . 1 1 149 149 GLY H H 149 6.949 6.949 8.346 -1.397 25439 9004 1 12 . 1 1 150 150 CYS N N 150 127.277 127.277 119.913 7.364 25439 9005 1 12 . 1 1 150 150 CYS HA H 150 3.932 3.932 4.545 -0.613 25439 9006 1 12 . 1 1 150 150 CYS CA C 150 61.362 61.362 57.175 4.187 25439 9007 1 12 . 1 1 150 150 CYS CB C 150 30.632 30.632 29.706 0.926 25439 9008 1 12 . 1 1 150 150 CYS H H 150 8.240 8.240 7.119 1.121 25439 9009 1 12 . 1 1 151 151 ARG N N 151 125.476 125.476 126.519 -1.043 25439 9010 1 12 . 1 1 151 151 ARG HA H 151 4.775 4.775 4.294 0.481 25439 9011 1 12 . 1 1 151 151 ARG CA C 151 56.164 56.164 55.189 0.975 25439 9012 1 12 . 1 1 151 151 ARG CB C 151 30.354 30.354 29.611 0.743 25439 9013 1 12 . 1 1 151 151 ARG H H 151 8.492 8.492 8.700 -0.208 25439 9014 1 12 . 1 1 152 152 GLY N N 152 117.275 117.275 108.235 9.040 25439 9015 1 12 . 1 1 152 152 GLY CA C 152 45.523 45.523 45.338 0.185 25439 9016 1 12 . 1 1 152 152 GLY H H 152 9.812 9.812 7.601 2.211 25439 9017 1 12 . 1 1 153 153 CYS N N 153 126.187 126.187 118.823 7.364 25439 9018 1 12 . 1 1 153 153 CYS HA H 153 4.842 4.842 4.818 0.024 25439 9019 1 12 . 1 1 153 153 CYS CA C 153 57.130 57.130 55.843 1.287 25439 9020 1 12 . 1 1 153 153 CYS CB C 153 31.368 31.368 27.869 3.499 25439 9021 1 12 . 1 1 153 153 CYS H H 153 8.930 8.930 8.240 0.690 25439 9022 1 12 . 1 1 154 154 ALA N N 154 125.869 125.869 126.060 -0.191 25439 9023 1 12 . 1 1 154 154 ALA HA H 154 4.159 4.159 4.888 -0.729 25439 9024 1 12 . 1 1 154 154 ALA CA C 154 53.187 53.187 51.731 1.456 25439 9025 1 12 . 1 1 154 154 ALA CB C 154 18.937 18.937 21.539 -2.602 25439 9026 1 12 . 1 1 154 154 ALA H H 154 8.616 8.616 8.290 0.326 25439 9027 1 12 . 1 1 155 155 SER N N 155 116.724 116.724 116.919 -0.195 25439 9028 1 12 . 1 1 155 155 SER HA H 155 4.283 4.283 4.367 -0.084 25439 9029 1 12 . 1 1 155 155 SER CA C 155 60.136 60.136 60.870 -0.734 25439 9030 1 12 . 1 1 155 155 SER CB C 155 63.575 63.575 63.766 -0.191 25439 9031 1 12 . 1 1 155 155 SER H H 155 9.358 9.358 8.805 0.553 25439 9032 1 12 . 1 1 156 156 THR N N 156 111.893 111.893 116.561 -4.668 25439 9033 1 12 . 1 1 156 156 THR HA H 156 4.358 4.358 4.104 0.254 25439 9034 1 12 . 1 1 156 156 THR CA C 156 61.264 61.264 64.981 -3.717 25439 9035 1 12 . 1 1 156 156 THR CB C 156 69.999 69.999 69.064 0.935 25439 9036 1 12 . 1 1 156 156 THR H H 156 7.638 7.638 8.392 -0.754 25439 9037 1 13 . 1 1 0 0 GLY CA C 0 43.750 43.750 44.985 -1.235 25439 9038 1 13 . 1 1 1 1 SER N N 1 117.201 117.201 115.101 2.100 25439 9039 1 13 . 1 1 1 1 SER HA H 1 4.809 4.809 5.187 -0.378 25439 9040 1 13 . 1 1 1 1 SER CA C 1 56.525 56.525 56.990 -0.465 25439 9041 1 13 . 1 1 1 1 SER CB C 1 63.385 63.385 65.077 -1.692 25439 9042 1 13 . 1 1 1 1 SER H H 1 8.381 8.381 8.299 0.082 25439 9043 1 13 . 1 1 2 2 PRO HA H 2 4.468 4.468 4.466 0.002 25439 9044 1 13 . 1 1 2 2 PRO CA C 2 63.292 63.292 63.544 -0.252 25439 9045 1 13 . 1 1 2 2 PRO CB C 2 32.174 32.174 32.193 -0.019 25439 9046 1 13 . 1 1 3 3 ARG N N 3 121.649 121.649 120.114 1.535 25439 9047 1 13 . 1 1 3 3 ARG HA H 3 4.324 4.324 4.127 0.197 25439 9048 1 13 . 1 1 3 3 ARG CA C 3 56.226 56.226 56.295 -0.069 25439 9049 1 13 . 1 1 3 3 ARG CB C 3 30.732 30.732 29.214 1.518 25439 9050 1 13 . 1 1 3 3 ARG H H 3 8.428 8.428 8.503 -0.075 25439 9051 1 13 . 1 1 4 4 ILE N N 4 122.500 122.500 118.677 3.823 25439 9052 1 13 . 1 1 4 4 ILE HA H 4 4.181 4.181 4.433 -0.252 25439 9053 1 13 . 1 1 4 4 ILE CA C 4 60.943 60.943 59.350 1.593 25439 9054 1 13 . 1 1 4 4 ILE CB C 4 38.751 38.751 40.217 -1.466 25439 9055 1 13 . 1 1 4 4 ILE H H 4 8.165 8.165 7.909 0.256 25439 9056 1 13 . 1 1 5 5 LYS N N 5 126.237 126.237 122.458 3.779 25439 9057 1 13 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.714 -0.312 25439 9058 1 13 . 1 1 5 5 LYS CA C 5 56.422 56.422 56.285 0.137 25439 9059 1 13 . 1 1 5 5 LYS CB C 5 33.130 33.130 32.842 0.288 25439 9060 1 13 . 1 1 5 5 LYS H H 5 8.500 8.500 8.495 0.005 25439 9061 1 13 . 1 1 6 6 THR N N 6 116.495 116.495 115.292 1.203 25439 9062 1 13 . 1 1 6 6 THR HA H 6 4.323 4.323 4.687 -0.364 25439 9063 1 13 . 1 1 6 6 THR CA C 6 61.918 61.918 60.657 1.261 25439 9064 1 13 . 1 1 6 6 THR CB C 6 69.963 69.963 70.375 -0.412 25439 9065 1 13 . 1 1 6 6 THR H H 6 8.194 8.194 8.411 -0.217 25439 9066 1 13 . 1 1 7 7 ARG N N 7 124.128 124.128 120.252 3.876 25439 9067 1 13 . 1 1 7 7 ARG HA H 7 4.396 4.396 4.739 -0.343 25439 9068 1 13 . 1 1 7 7 ARG CA C 7 56.128 56.128 55.736 0.392 25439 9069 1 13 . 1 1 7 7 ARG CB C 7 30.953 30.953 32.152 -1.199 25439 9070 1 13 . 1 1 7 7 ARG H H 7 8.458 8.458 8.577 -0.119 25439 9071 1 13 . 1 1 8 8 ARG N N 8 123.384 123.384 122.214 1.170 25439 9072 1 13 . 1 1 8 8 ARG HA H 8 4.424 4.424 4.673 -0.249 25439 9073 1 13 . 1 1 8 8 ARG CA C 8 56.011 56.011 55.733 0.278 25439 9074 1 13 . 1 1 8 8 ARG CB C 8 31.058 31.058 31.855 -0.797 25439 9075 1 13 . 1 1 8 8 ARG H H 8 8.526 8.526 8.714 -0.188 25439 9076 1 13 . 1 1 9 9 SER N N 9 118.446 118.446 115.369 3.077 25439 9077 1 13 . 1 1 9 9 SER HA H 9 4.473 4.473 4.507 -0.034 25439 9078 1 13 . 1 1 9 9 SER CA C 9 58.568 58.568 58.540 0.028 25439 9079 1 13 . 1 1 9 9 SER CB C 9 63.986 63.986 63.981 0.005 25439 9080 1 13 . 1 1 9 9 SER H H 9 8.450 8.450 8.665 -0.215 25439 9081 1 13 . 1 1 10 10 LYS N N 10 124.117 124.117 123.630 0.487 25439 9082 1 13 . 1 1 10 10 LYS HA H 10 4.673 4.673 4.980 -0.307 25439 9083 1 13 . 1 1 10 10 LYS CA C 10 54.412 54.412 53.545 0.867 25439 9084 1 13 . 1 1 10 10 LYS CB C 10 32.693 32.693 33.717 -1.024 25439 9085 1 13 . 1 1 10 10 LYS H H 10 8.426 8.426 8.482 -0.056 25439 9086 1 13 . 1 1 11 11 PRO HA H 11 4.360 4.360 4.770 -0.410 25439 9087 1 13 . 1 1 11 11 PRO CA C 11 62.861 62.861 62.355 0.506 25439 9088 1 13 . 1 1 11 11 PRO CB C 11 32.106 32.106 32.569 -0.463 25439 9089 1 13 . 1 1 12 12 ALA N N 12 124.420 124.420 122.879 1.541 25439 9090 1 13 . 1 1 12 12 ALA HA H 12 2.889 2.889 2.357 0.532 25439 9091 1 13 . 1 1 12 12 ALA CA C 12 49.735 49.735 49.520 0.215 25439 9092 1 13 . 1 1 12 12 ALA CB C 12 18.066 18.066 17.142 0.924 25439 9093 1 13 . 1 1 12 12 ALA H H 12 7.890 7.890 7.923 -0.033 25439 9094 1 13 . 1 1 13 13 PRO HA H 13 4.207 4.207 4.296 -0.089 25439 9095 1 13 . 1 1 13 13 PRO CA C 13 62.111 62.111 62.194 -0.083 25439 9096 1 13 . 1 1 13 13 PRO CB C 13 32.582 32.582 30.639 1.943 25439 9097 1 13 . 1 1 14 14 ASP N N 14 119.535 119.535 122.920 -3.385 25439 9098 1 13 . 1 1 14 14 ASP HA H 14 4.379 4.379 4.273 0.106 25439 9099 1 13 . 1 1 14 14 ASP CA C 14 56.427 56.427 55.402 1.025 25439 9100 1 13 . 1 1 14 14 ASP CB C 14 41.177 41.177 40.184 0.993 25439 9101 1 13 . 1 1 14 14 ASP H H 14 8.206 8.206 8.131 0.075 25439 9102 1 13 . 1 1 15 15 GLY N N 15 113.273 113.273 107.431 5.842 25439 9103 1 13 . 1 1 15 15 GLY CA C 15 45.146 45.146 45.263 -0.117 25439 9104 1 13 . 1 1 15 15 GLY H H 15 8.723 8.723 8.261 0.462 25439 9105 1 13 . 1 1 16 16 PHE N N 16 123.113 123.113 122.760 0.353 25439 9106 1 13 . 1 1 16 16 PHE HA H 16 4.125 4.125 4.442 -0.317 25439 9107 1 13 . 1 1 16 16 PHE CA C 16 60.715 60.715 58.982 1.733 25439 9108 1 13 . 1 1 16 16 PHE CB C 16 39.639 39.639 39.050 0.589 25439 9109 1 13 . 1 1 16 16 PHE H H 16 8.127 8.127 8.011 0.116 25439 9110 1 13 . 1 1 17 17 GLU N N 17 115.695 115.695 119.269 -3.574 25439 9111 1 13 . 1 1 17 17 GLU HA H 17 3.768 3.768 3.814 -0.046 25439 9112 1 13 . 1 1 17 17 GLU CA C 17 59.234 59.234 59.529 -0.295 25439 9113 1 13 . 1 1 17 17 GLU CB C 17 28.495 28.495 28.970 -0.475 25439 9114 1 13 . 1 1 17 17 GLU H H 17 9.088 9.088 8.799 0.289 25439 9115 1 13 . 1 1 18 18 LYS N N 18 115.887 115.887 118.016 -2.129 25439 9116 1 13 . 1 1 18 18 LYS HA H 18 4.165 4.165 4.061 0.104 25439 9117 1 13 . 1 1 18 18 LYS CA C 18 58.249 58.249 59.113 -0.864 25439 9118 1 13 . 1 1 18 18 LYS CB C 18 32.725 32.725 32.858 -0.133 25439 9119 1 13 . 1 1 18 18 LYS H H 18 7.285 7.285 7.799 -0.514 25439 9120 1 13 . 1 1 19 19 ILE N N 19 110.277 110.277 110.828 -0.551 25439 9121 1 13 . 1 1 19 19 ILE HA H 19 4.722 4.722 4.779 -0.057 25439 9122 1 13 . 1 1 19 19 ILE CA C 19 61.093 61.093 59.654 1.439 25439 9123 1 13 . 1 1 19 19 ILE CB C 19 39.139 39.139 38.070 1.069 25439 9124 1 13 . 1 1 19 19 ILE H H 19 7.031 7.031 7.589 -0.558 25439 9125 1 13 . 1 1 20 20 LYS N N 20 124.540 124.540 122.507 2.033 25439 9126 1 13 . 1 1 20 20 LYS HA H 20 3.603 3.603 3.746 -0.143 25439 9127 1 13 . 1 1 20 20 LYS CA C 20 60.917 60.917 60.274 0.643 25439 9128 1 13 . 1 1 20 20 LYS CB C 20 30.210 30.210 30.652 -0.442 25439 9129 1 13 . 1 1 20 20 LYS H H 20 7.666 7.666 7.403 0.263 25439 9130 1 13 . 1 1 21 21 PRO HA H 21 4.292 4.292 4.550 -0.258 25439 9131 1 13 . 1 1 21 21 PRO CA C 21 66.990 66.990 65.336 1.654 25439 9132 1 13 . 1 1 21 21 PRO CB C 21 30.779 30.779 31.543 -0.763 25439 9133 1 13 . 1 1 22 22 THR N N 22 114.917 114.917 115.379 -0.462 25439 9134 1 13 . 1 1 22 22 THR HA H 22 3.866 3.866 4.040 -0.174 25439 9135 1 13 . 1 1 22 22 THR CA C 22 66.575 66.575 66.385 0.190 25439 9136 1 13 . 1 1 22 22 THR CB C 22 68.731 68.731 68.481 0.250 25439 9137 1 13 . 1 1 22 22 THR H H 22 7.331 7.331 8.302 -0.971 25439 9138 1 13 . 1 1 23 23 LEU N N 23 120.152 120.152 120.460 -0.308 25439 9139 1 13 . 1 1 23 23 LEU HA H 23 4.397 4.397 4.135 0.262 25439 9140 1 13 . 1 1 23 23 LEU CA C 23 58.740 58.740 58.088 0.652 25439 9141 1 13 . 1 1 23 23 LEU CB C 23 40.489 40.489 42.010 -1.521 25439 9142 1 13 . 1 1 23 23 LEU H H 23 7.991 7.991 7.745 0.246 25439 9143 1 13 . 1 1 24 24 THR N N 24 119.365 119.365 115.330 4.035 25439 9144 1 13 . 1 1 24 24 THR HA H 24 4.095 4.095 3.949 0.146 25439 9145 1 13 . 1 1 24 24 THR CA C 24 66.834 66.834 66.121 0.713 25439 9146 1 13 . 1 1 24 24 THR CB C 24 68.614 68.614 67.910 0.704 25439 9147 1 13 . 1 1 24 24 THR H H 24 9.175 9.175 7.547 1.628 25439 9148 1 13 . 1 1 25 25 ASP N N 25 122.865 122.865 121.699 1.166 25439 9149 1 13 . 1 1 25 25 ASP HA H 25 4.483 4.483 4.354 0.129 25439 9150 1 13 . 1 1 25 25 ASP CA C 25 58.158 58.158 56.981 1.177 25439 9151 1 13 . 1 1 25 25 ASP CB C 25 40.329 40.329 40.570 -0.241 25439 9152 1 13 . 1 1 25 25 ASP H H 25 7.714 7.714 7.632 0.082 25439 9153 1 13 . 1 1 26 26 PHE N N 26 116.182 116.182 118.320 -2.138 25439 9154 1 13 . 1 1 26 26 PHE HA H 26 4.457 4.457 4.161 0.296 25439 9155 1 13 . 1 1 26 26 PHE CA C 26 62.531 62.531 61.957 0.574 25439 9156 1 13 . 1 1 26 26 PHE CB C 26 39.468 39.468 38.970 0.498 25439 9157 1 13 . 1 1 26 26 PHE H H 26 7.816 7.816 7.843 -0.027 25439 9158 1 13 . 1 1 27 27 GLU N N 27 120.107 120.107 119.116 0.991 25439 9159 1 13 . 1 1 27 27 GLU HA H 27 4.113 4.113 3.991 0.122 25439 9160 1 13 . 1 1 27 27 GLU CA C 27 59.852 59.852 59.819 0.033 25439 9161 1 13 . 1 1 27 27 GLU CB C 27 29.692 29.692 29.405 0.287 25439 9162 1 13 . 1 1 27 27 GLU H H 27 8.068 8.068 7.976 0.092 25439 9163 1 13 . 1 1 28 28 ILE N N 28 121.494 121.494 119.967 1.527 25439 9164 1 13 . 1 1 28 28 ILE HA H 28 3.718 3.718 3.736 -0.018 25439 9165 1 13 . 1 1 28 28 ILE CA C 28 65.002 65.002 65.010 -0.008 25439 9166 1 13 . 1 1 28 28 ILE CB C 28 38.023 38.023 37.908 0.115 25439 9167 1 13 . 1 1 28 28 ILE H H 28 8.531 8.531 7.457 1.074 25439 9168 1 13 . 1 1 29 29 GLN N N 29 118.941 118.941 119.949 -1.008 25439 9169 1 13 . 1 1 29 29 GLN HA H 29 4.180 4.180 3.992 0.188 25439 9170 1 13 . 1 1 29 29 GLN CA C 29 59.507 59.507 59.255 0.251 25439 9171 1 13 . 1 1 29 29 GLN CB C 29 29.783 29.783 28.855 0.928 25439 9172 1 13 . 1 1 29 29 GLN H H 29 8.117 8.117 7.460 0.657 25439 9173 1 13 . 1 1 30 30 LEU N N 30 121.724 121.724 121.031 0.693 25439 9174 1 13 . 1 1 30 30 LEU HA H 30 4.032 4.032 4.008 0.024 25439 9175 1 13 . 1 1 30 30 LEU CA C 30 58.333 58.333 58.394 -0.061 25439 9176 1 13 . 1 1 30 30 LEU CB C 30 42.339 42.339 42.001 0.338 25439 9177 1 13 . 1 1 30 30 LEU H H 30 8.677 8.677 8.816 -0.139 25439 9178 1 13 . 1 1 31 31 ARG N N 31 120.629 120.629 118.893 1.736 25439 9179 1 13 . 1 1 31 31 ARG HA H 31 4.105 4.105 3.911 0.194 25439 9180 1 13 . 1 1 31 31 ARG CA C 31 59.340 59.340 60.373 -1.033 25439 9181 1 13 . 1 1 31 31 ARG CB C 31 30.044 30.044 29.750 0.294 25439 9182 1 13 . 1 1 31 31 ARG H H 31 8.227 8.227 8.563 -0.336 25439 9183 1 13 . 1 1 32 32 ASP N N 32 120.233 120.233 120.024 0.209 25439 9184 1 13 . 1 1 32 32 ASP HA H 32 4.484 4.484 4.381 0.103 25439 9185 1 13 . 1 1 32 32 ASP CA C 32 57.199 57.199 58.010 -0.811 25439 9186 1 13 . 1 1 32 32 ASP CB C 32 40.202 40.202 40.429 -0.228 25439 9187 1 13 . 1 1 32 32 ASP H H 32 8.407 8.407 7.725 0.682 25439 9188 1 13 . 1 1 33 33 ALA N N 33 121.939 121.939 122.170 -0.231 25439 9189 1 13 . 1 1 33 33 ALA HA H 33 4.321 4.321 3.904 0.417 25439 9190 1 13 . 1 1 33 33 ALA CA C 33 54.207 54.207 55.253 -1.046 25439 9191 1 13 . 1 1 33 33 ALA CB C 33 18.738 18.738 18.478 0.260 25439 9192 1 13 . 1 1 33 33 ALA H H 33 8.057 8.057 7.516 0.541 25439 9193 1 13 . 1 1 34 34 GLN N N 34 114.736 114.736 117.611 -2.875 25439 9194 1 13 . 1 1 34 34 GLN HA H 34 4.248 4.248 4.028 0.220 25439 9195 1 13 . 1 1 34 34 GLN CA C 34 56.567 56.567 59.087 -2.520 25439 9196 1 13 . 1 1 34 34 GLN CB C 34 29.743 29.743 28.898 0.845 25439 9197 1 13 . 1 1 34 34 GLN H H 34 7.746 7.746 8.624 -0.878 25439 9198 1 13 . 1 1 35 35 LYS N N 35 120.534 120.534 117.980 2.554 25439 9199 1 13 . 1 1 35 35 LYS HA H 35 4.232 4.232 4.215 0.017 25439 9200 1 13 . 1 1 35 35 LYS CA C 35 57.427 57.427 58.052 -0.625 25439 9201 1 13 . 1 1 35 35 LYS CB C 35 32.887 32.887 32.639 0.248 25439 9202 1 13 . 1 1 35 35 LYS H H 35 7.570 7.570 7.879 -0.309 25439 9203 1 13 . 1 1 36 36 ASP N N 36 120.943 120.943 120.517 0.426 25439 9204 1 13 . 1 1 36 36 ASP HA H 36 4.595 4.595 4.333 0.262 25439 9205 1 13 . 1 1 36 36 ASP CA C 36 54.983 54.983 57.043 -2.060 25439 9206 1 13 . 1 1 36 36 ASP CB C 36 41.129 41.129 40.865 0.264 25439 9207 1 13 . 1 1 36 36 ASP H H 36 8.375 8.375 8.493 -0.118 25439 9208 1 13 . 1 1 37 37 LYS N N 37 122.598 122.598 118.433 4.165 25439 9209 1 13 . 1 1 37 37 LYS HA H 37 4.365 4.365 3.951 0.414 25439 9210 1 13 . 1 1 37 37 LYS CA C 37 56.725 56.725 58.417 -1.692 25439 9211 1 13 . 1 1 37 37 LYS CB C 37 32.823 32.823 32.981 -0.158 25439 9212 1 13 . 1 1 37 37 LYS H H 37 8.446 8.446 7.497 0.949 25439 9213 1 13 . 1 1 38 38 SER N N 38 115.849 115.849 112.388 3.461 25439 9214 1 13 . 1 1 38 38 SER HA H 38 4.423 4.423 4.151 0.272 25439 9215 1 13 . 1 1 38 38 SER CA C 38 59.193 59.193 58.806 0.387 25439 9216 1 13 . 1 1 38 38 SER CB C 38 63.744 63.744 63.273 0.471 25439 9217 1 13 . 1 1 38 38 SER H H 38 8.392 8.392 8.207 0.185 25439 9218 1 13 . 1 1 39 39 SER N N 39 117.258 117.258 117.069 0.189 25439 9219 1 13 . 1 1 39 39 SER HA H 39 4.445 4.445 4.580 -0.135 25439 9220 1 13 . 1 1 39 39 SER CA C 39 58.933 58.933 57.956 0.977 25439 9221 1 13 . 1 1 39 39 SER CB C 39 63.711 63.711 63.651 0.060 25439 9222 1 13 . 1 1 39 39 SER H H 39 8.283 8.283 8.340 -0.057 25439 9223 1 13 . 1 1 40 40 LYS N N 40 122.427 122.427 123.087 -0.660 25439 9224 1 13 . 1 1 40 40 LYS HA H 40 4.321 4.321 3.941 0.380 25439 9225 1 13 . 1 1 40 40 LYS CA C 40 56.847 56.847 57.342 -0.495 25439 9226 1 13 . 1 1 40 40 LYS CB C 40 32.764 32.764 30.533 2.231 25439 9227 1 13 . 1 1 40 40 LYS H H 40 8.263 8.263 8.826 -0.563 25439 9228 1 13 . 1 1 41 41 LEU N N 41 121.281 121.281 119.459 1.822 25439 9229 1 13 . 1 1 41 41 LEU HA H 41 4.308 4.308 4.453 -0.145 25439 9230 1 13 . 1 1 41 41 LEU CA C 41 55.335 55.335 56.017 -0.682 25439 9231 1 13 . 1 1 41 41 LEU CB C 41 42.212 42.212 43.571 -1.359 25439 9232 1 13 . 1 1 41 41 LEU H H 41 8.068 8.068 8.386 -0.318 25439 9233 1 13 . 1 1 42 42 ALA N N 42 123.964 123.964 121.398 2.566 25439 9234 1 13 . 1 1 42 42 ALA HA H 42 4.274 4.274 4.644 -0.370 25439 9235 1 13 . 1 1 42 42 ALA CA C 42 52.851 52.851 51.460 1.391 25439 9236 1 13 . 1 1 42 42 ALA CB C 42 19.135 19.135 20.587 -1.452 25439 9237 1 13 . 1 1 42 42 ALA H H 42 8.111 8.111 8.144 -0.033 25439 9238 1 13 . 1 1 43 43 ALA N N 43 122.146 122.146 121.101 1.045 25439 9239 1 13 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.617 -0.320 25439 9240 1 13 . 1 1 43 43 ALA CA C 43 52.727 52.727 51.306 1.421 25439 9241 1 13 . 1 1 43 43 ALA CB C 43 19.318 19.318 20.167 -0.849 25439 9242 1 13 . 1 1 43 43 ALA H H 43 8.101 8.101 7.934 0.167 25439 9243 1 13 . 1 1 44 44 LYS N N 44 119.454 119.454 120.075 -0.621 25439 9244 1 13 . 1 1 44 44 LYS HA H 44 4.349 4.349 3.963 0.386 25439 9245 1 13 . 1 1 44 44 LYS CA C 44 56.267 56.267 56.524 -0.257 25439 9246 1 13 . 1 1 44 44 LYS CB C 44 32.825 32.825 31.915 0.910 25439 9247 1 13 . 1 1 44 44 LYS H H 44 8.198 8.198 8.454 -0.256 25439 9248 1 13 . 1 1 45 45 SER N N 45 116.660 116.660 113.989 2.671 25439 9249 1 13 . 1 1 45 45 SER HA H 45 4.368 4.368 4.367 0.001 25439 9250 1 13 . 1 1 45 45 SER CA C 45 58.477 58.477 59.001 -0.524 25439 9251 1 13 . 1 1 45 45 SER CB C 45 64.063 64.063 63.915 0.148 25439 9252 1 13 . 1 1 45 45 SER H H 45 8.251 8.251 8.437 -0.186 25439 9253 1 13 . 1 1 46 46 ASN N N 46 120.516 120.516 121.380 -0.864 25439 9254 1 13 . 1 1 46 46 ASN HA H 46 4.361 4.361 4.298 0.063 25439 9255 1 13 . 1 1 46 46 ASN CA C 46 54.657 54.657 55.271 -0.614 25439 9256 1 13 . 1 1 46 46 ASN CB C 46 37.649 37.649 37.721 -0.072 25439 9257 1 13 . 1 1 46 46 ASN H H 46 8.498 8.498 8.610 -0.112 25439 9258 1 13 . 1 1 47 47 GLU N N 47 117.964 117.964 117.373 0.591 25439 9259 1 13 . 1 1 47 47 GLU HA H 47 3.350 3.350 2.925 0.425 25439 9260 1 13 . 1 1 47 47 GLU CA C 47 59.213 59.213 58.981 0.232 25439 9261 1 13 . 1 1 47 47 GLU CB C 47 28.998 28.998 29.019 -0.021 25439 9262 1 13 . 1 1 47 47 GLU H H 47 8.016 8.016 8.284 -0.268 25439 9263 1 13 . 1 1 48 48 GLN N N 48 119.468 119.468 119.238 0.230 25439 9264 1 13 . 1 1 48 48 GLN HA H 48 4.250 4.250 4.048 0.202 25439 9265 1 13 . 1 1 48 48 GLN CA C 48 58.529 58.529 58.053 0.476 25439 9266 1 13 . 1 1 48 48 GLN CB C 48 28.902 28.902 28.178 0.724 25439 9267 1 13 . 1 1 48 48 GLN H H 48 7.892 7.892 7.632 0.260 25439 9268 1 13 . 1 1 49 49 LEU N N 49 120.145 120.145 119.307 0.838 25439 9269 1 13 . 1 1 49 49 LEU HA H 49 4.232 4.232 4.007 0.225 25439 9270 1 13 . 1 1 49 49 LEU CA C 49 57.479 57.479 57.757 -0.278 25439 9271 1 13 . 1 1 49 49 LEU CB C 49 41.391 41.391 41.618 -0.227 25439 9272 1 13 . 1 1 49 49 LEU H H 49 7.699 7.699 7.585 0.114 25439 9273 1 13 . 1 1 50 50 TRP N N 50 119.596 119.596 117.543 2.053 25439 9274 1 13 . 1 1 50 50 TRP HA H 50 4.520 4.520 4.486 0.034 25439 9275 1 13 . 1 1 50 50 TRP CA C 50 58.353 58.353 57.237 1.116 25439 9276 1 13 . 1 1 50 50 TRP CB C 50 28.880 28.880 28.007 0.873 25439 9277 1 13 . 1 1 50 50 TRP H H 50 8.385 8.385 7.207 1.178 25439 9278 1 13 . 1 1 51 51 GLU N N 51 119.362 119.362 118.300 1.062 25439 9279 1 13 . 1 1 51 51 GLU HA H 51 4.145 4.145 4.138 0.007 25439 9280 1 13 . 1 1 51 51 GLU CA C 51 60.035 60.035 59.525 0.510 25439 9281 1 13 . 1 1 51 51 GLU CB C 51 29.675 29.675 29.260 0.415 25439 9282 1 13 . 1 1 51 51 GLU H H 51 8.223 8.223 7.853 0.370 25439 9283 1 13 . 1 1 52 52 ILE N N 52 119.018 119.018 120.174 -1.156 25439 9284 1 13 . 1 1 52 52 ILE HA H 52 3.673 3.673 3.732 -0.059 25439 9285 1 13 . 1 1 52 52 ILE CA C 52 65.511 65.511 65.232 0.279 25439 9286 1 13 . 1 1 52 52 ILE CB C 52 38.532 38.532 37.996 0.536 25439 9287 1 13 . 1 1 52 52 ILE H H 52 7.801 7.801 7.782 0.019 25439 9288 1 13 . 1 1 53 53 MET N N 53 118.133 118.133 116.640 1.493 25439 9289 1 13 . 1 1 53 53 MET HA H 53 4.452 4.452 4.035 0.417 25439 9290 1 13 . 1 1 53 53 MET CA C 53 58.216 58.216 58.622 -0.406 25439 9291 1 13 . 1 1 53 53 MET CB C 53 31.838 31.838 31.797 0.040 25439 9292 1 13 . 1 1 53 53 MET H H 53 8.411 8.411 7.523 0.888 25439 9293 1 13 . 1 1 54 54 GLN N N 54 120.855 120.855 118.783 2.072 25439 9294 1 13 . 1 1 54 54 GLN HA H 54 4.333 4.333 4.051 0.282 25439 9295 1 13 . 1 1 54 54 GLN CA C 54 59.004 59.004 58.660 0.344 25439 9296 1 13 . 1 1 54 54 GLN CB C 54 27.824 27.824 28.850 -1.026 25439 9297 1 13 . 1 1 54 54 GLN H H 54 8.860 8.860 8.264 0.596 25439 9298 1 13 . 1 1 55 55 LEU N N 55 122.788 122.788 120.148 2.640 25439 9299 1 13 . 1 1 55 55 LEU HA H 55 4.302 4.302 4.193 0.109 25439 9300 1 13 . 1 1 55 55 LEU CA C 55 58.685 58.685 58.076 0.609 25439 9301 1 13 . 1 1 55 55 LEU CB C 55 42.695 42.695 41.807 0.888 25439 9302 1 13 . 1 1 55 55 LEU H H 55 8.298 8.298 8.023 0.275 25439 9303 1 13 . 1 1 56 56 HIS N N 56 118.426 118.426 117.701 0.725 25439 9304 1 13 . 1 1 56 56 HIS HA H 56 4.317 4.317 4.167 0.150 25439 9305 1 13 . 1 1 56 56 HIS CA C 56 60.732 60.732 59.960 0.772 25439 9306 1 13 . 1 1 56 56 HIS CB C 56 30.530 30.530 29.550 0.980 25439 9307 1 13 . 1 1 56 56 HIS H H 56 8.416 8.416 7.798 0.618 25439 9308 1 13 . 1 1 57 57 HIS N N 57 121.197 121.197 119.136 2.061 25439 9309 1 13 . 1 1 57 57 HIS HA H 57 4.318 4.318 4.458 -0.140 25439 9310 1 13 . 1 1 57 57 HIS CA C 57 60.739 60.739 59.079 1.660 25439 9311 1 13 . 1 1 57 57 HIS CB C 57 28.726 28.726 30.179 -1.453 25439 9312 1 13 . 1 1 57 57 HIS H H 57 8.608 8.608 8.130 0.478 25439 9313 1 13 . 1 1 58 58 GLN N N 58 118.739 118.739 118.664 0.075 25439 9314 1 13 . 1 1 58 58 GLN HA H 58 4.202 4.202 4.148 0.054 25439 9315 1 13 . 1 1 58 58 GLN CA C 58 59.507 59.507 59.591 -0.084 25439 9316 1 13 . 1 1 58 58 GLN CB C 58 29.111 29.111 28.378 0.733 25439 9317 1 13 . 1 1 58 58 GLN H H 58 9.206 9.206 8.651 0.555 25439 9318 1 13 . 1 1 59 59 ARG N N 59 122.498 122.498 119.505 2.993 25439 9319 1 13 . 1 1 59 59 ARG HA H 59 3.437 3.437 3.916 -0.479 25439 9320 1 13 . 1 1 59 59 ARG CA C 59 60.361 60.361 58.862 1.499 25439 9321 1 13 . 1 1 59 59 ARG H H 59 8.623 8.623 7.972 0.651 25439 9322 1 13 . 1 1 60 60 SER N N 60 114.930 114.930 115.260 -0.330 25439 9323 1 13 . 1 1 60 60 SER HA H 60 4.515 4.515 4.311 0.204 25439 9324 1 13 . 1 1 60 60 SER CA C 60 64.832 64.832 61.549 3.283 25439 9325 1 13 . 1 1 60 60 SER CB C 60 63.583 63.583 63.172 0.410 25439 9326 1 13 . 1 1 60 60 SER H H 60 7.993 7.993 8.323 -0.330 25439 9327 1 13 . 1 1 61 61 ARG N N 61 124.417 124.417 122.722 1.695 25439 9328 1 13 . 1 1 61 61 ARG HA H 61 4.204 4.204 4.113 0.091 25439 9329 1 13 . 1 1 61 61 ARG CA C 61 58.852 58.852 58.887 -0.035 25439 9330 1 13 . 1 1 61 61 ARG CB C 61 29.077 29.077 29.875 -0.798 25439 9331 1 13 . 1 1 61 61 ARG H H 61 9.569 9.569 8.615 0.954 25439 9332 1 13 . 1 1 62 62 TYR N N 62 124.484 124.484 121.706 2.778 25439 9333 1 13 . 1 1 62 62 TYR HA H 62 4.676 4.676 4.337 0.339 25439 9334 1 13 . 1 1 62 62 TYR CA C 62 61.006 61.006 62.143 -1.137 25439 9335 1 13 . 1 1 62 62 TYR CB C 62 38.392 38.392 38.603 -0.211 25439 9336 1 13 . 1 1 62 62 TYR H H 62 8.622 8.622 8.412 0.210 25439 9337 1 13 . 1 1 63 63 ILE N N 63 119.789 119.789 119.084 0.705 25439 9338 1 13 . 1 1 63 63 ILE HA H 63 3.492 3.492 3.719 -0.227 25439 9339 1 13 . 1 1 63 63 ILE CA C 63 65.693 65.693 65.679 0.014 25439 9340 1 13 . 1 1 63 63 ILE CB C 63 38.023 38.023 38.172 -0.149 25439 9341 1 13 . 1 1 63 63 ILE H H 63 7.588 7.588 8.530 -0.942 25439 9342 1 13 . 1 1 64 64 TYR N N 64 120.485 120.485 121.123 -0.638 25439 9343 1 13 . 1 1 64 64 TYR HA H 64 4.577 4.577 4.242 0.335 25439 9344 1 13 . 1 1 64 64 TYR CA C 64 61.759 61.759 62.338 -0.579 25439 9345 1 13 . 1 1 64 64 TYR CB C 64 39.772 39.772 38.574 1.198 25439 9346 1 13 . 1 1 64 64 TYR H H 64 9.166 9.166 9.135 0.031 25439 9347 1 13 . 1 1 65 65 THR N N 65 117.072 117.072 117.425 -0.353 25439 9348 1 13 . 1 1 65 65 THR HA H 65 3.562 3.562 3.991 -0.429 25439 9349 1 13 . 1 1 65 65 THR CA C 65 67.016 67.016 67.577 -0.561 25439 9350 1 13 . 1 1 65 65 THR CB C 65 68.711 68.711 68.849 -0.138 25439 9351 1 13 . 1 1 65 65 THR H H 65 8.987 8.987 8.792 0.195 25439 9352 1 13 . 1 1 66 66 LEU N N 66 122.107 122.107 120.375 1.732 25439 9353 1 13 . 1 1 66 66 LEU HA H 66 3.782 3.782 4.247 -0.465 25439 9354 1 13 . 1 1 66 66 LEU CA C 66 58.476 58.476 58.127 0.349 25439 9355 1 13 . 1 1 66 66 LEU CB C 66 43.183 43.183 40.996 2.187 25439 9356 1 13 . 1 1 66 66 LEU H H 66 8.286 8.286 7.645 0.641 25439 9357 1 13 . 1 1 67 67 TYR N N 67 115.264 115.264 119.297 -4.033 25439 9358 1 13 . 1 1 67 67 TYR HA H 67 4.344 4.344 4.049 0.295 25439 9359 1 13 . 1 1 67 67 TYR CA C 67 60.830 60.830 61.390 -0.560 25439 9360 1 13 . 1 1 67 67 TYR CB C 67 40.376 40.376 39.388 0.988 25439 9361 1 13 . 1 1 67 67 TYR H H 67 7.983 7.983 8.044 -0.061 25439 9362 1 13 . 1 1 68 68 TYR N N 68 113.945 113.945 116.582 -2.637 25439 9363 1 13 . 1 1 68 68 TYR HA H 68 3.699 3.699 4.217 -0.518 25439 9364 1 13 . 1 1 68 68 TYR CA C 68 62.030 62.030 60.309 1.721 25439 9365 1 13 . 1 1 68 68 TYR CB C 68 38.046 38.046 38.698 -0.652 25439 9366 1 13 . 1 1 68 68 TYR H H 68 8.297 8.297 8.235 0.062 25439 9367 1 13 . 1 1 69 69 LYS N N 69 114.346 114.346 118.493 -4.147 25439 9368 1 13 . 1 1 69 69 LYS HA H 69 4.564 4.564 4.424 0.140 25439 9369 1 13 . 1 1 69 69 LYS CA C 69 56.821 56.821 56.664 0.157 25439 9370 1 13 . 1 1 69 69 LYS CB C 69 31.980 31.980 33.697 -1.717 25439 9371 1 13 . 1 1 69 69 LYS H H 69 7.084 7.084 7.578 -0.494 25439 9372 1 13 . 1 1 70 70 ARG N N 70 114.676 114.676 119.895 -5.219 25439 9373 1 13 . 1 1 70 70 ARG HA H 70 4.251 4.251 4.108 0.143 25439 9374 1 13 . 1 1 70 70 ARG CA C 70 56.314 56.314 57.378 -1.064 25439 9375 1 13 . 1 1 70 70 ARG CB C 70 31.128 31.128 30.652 0.476 25439 9376 1 13 . 1 1 70 70 ARG H H 70 8.178 8.178 8.159 0.019 25439 9377 1 13 . 1 1 71 71 LYS N N 71 115.371 115.371 115.677 -0.306 25439 9378 1 13 . 1 1 71 71 LYS HA H 71 4.036 4.036 3.786 0.250 25439 9379 1 13 . 1 1 71 71 LYS CA C 71 57.121 57.121 56.927 0.194 25439 9380 1 13 . 1 1 71 71 LYS CB C 71 28.897 28.897 30.434 -1.537 25439 9381 1 13 . 1 1 71 71 LYS H H 71 6.843 6.843 7.776 -0.933 25439 9382 1 13 . 1 1 72 72 ALA N N 72 117.701 117.701 120.385 -2.684 25439 9383 1 13 . 1 1 72 72 ALA HA H 72 4.395 4.395 4.457 -0.062 25439 9384 1 13 . 1 1 72 72 ALA CA C 72 52.597 52.597 51.936 0.661 25439 9385 1 13 . 1 1 72 72 ALA CB C 72 21.560 21.560 19.844 1.716 25439 9386 1 13 . 1 1 72 72 ALA H H 72 8.560 8.560 7.642 0.918 25439 9387 1 13 . 1 1 73 73 ILE N N 73 107.605 107.605 117.487 -9.882 25439 9388 1 13 . 1 1 73 73 ILE CB C 73 42.724 42.724 41.524 1.200 25439 9389 1 13 . 1 1 73 73 ILE H H 73 7.074 7.074 7.347 -0.273 25439 9390 1 13 . 1 1 74 74 SER N N 74 118.425 118.425 118.703 -0.278 25439 9391 1 13 . 1 1 74 74 SER HA H 74 4.484 4.484 4.894 -0.410 25439 9392 1 13 . 1 1 74 74 SER CA C 74 57.082 57.082 56.976 0.106 25439 9393 1 13 . 1 1 74 74 SER CB C 74 65.396 65.396 65.955 -0.559 25439 9394 1 13 . 1 1 74 74 SER H H 74 8.797 8.797 8.345 0.452 25439 9395 1 13 . 1 1 75 75 LYS N N 75 121.891 121.891 124.964 -3.073 25439 9396 1 13 . 1 1 75 75 LYS HA H 75 3.851 3.851 4.169 -0.318 25439 9397 1 13 . 1 1 75 75 LYS CA C 75 59.624 59.624 59.758 -0.134 25439 9398 1 13 . 1 1 75 75 LYS CB C 75 32.368 32.368 32.472 -0.104 25439 9399 1 13 . 1 1 75 75 LYS H H 75 9.024 9.024 9.186 -0.162 25439 9400 1 13 . 1 1 76 76 ASP N N 76 115.908 115.908 119.677 -3.769 25439 9401 1 13 . 1 1 76 76 ASP HA H 76 4.423 4.423 4.443 -0.020 25439 9402 1 13 . 1 1 76 76 ASP CA C 76 57.362 57.362 57.630 -0.268 25439 9403 1 13 . 1 1 76 76 ASP CB C 76 40.391 40.391 40.479 -0.088 25439 9404 1 13 . 1 1 76 76 ASP H H 76 8.161 8.161 7.825 0.336 25439 9405 1 13 . 1 1 77 77 LEU N N 77 121.705 121.705 121.209 0.496 25439 9406 1 13 . 1 1 77 77 LEU HA H 77 4.180 4.180 4.148 0.032 25439 9407 1 13 . 1 1 77 77 LEU CA C 77 57.818 57.818 57.967 -0.149 25439 9408 1 13 . 1 1 77 77 LEU H H 77 8.345 8.345 7.538 0.807 25439 9409 1 13 . 1 1 78 78 TYR N N 78 121.511 121.511 120.346 1.165 25439 9410 1 13 . 1 1 78 78 TYR HA H 78 3.789 3.789 4.040 -0.251 25439 9411 1 13 . 1 1 78 78 TYR CA C 78 62.857 62.857 60.710 2.147 25439 9412 1 13 . 1 1 78 78 TYR CB C 78 38.369 38.369 37.840 0.529 25439 9413 1 13 . 1 1 78 78 TYR H H 78 8.598 8.598 8.648 -0.050 25439 9414 1 13 . 1 1 79 79 ASP N N 79 117.189 117.189 119.925 -2.736 25439 9415 1 13 . 1 1 79 79 ASP HA H 79 4.066 4.066 4.008 0.058 25439 9416 1 13 . 1 1 79 79 ASP CA C 79 57.219 57.219 57.197 0.023 25439 9417 1 13 . 1 1 79 79 ASP CB C 79 40.003 40.003 40.593 -0.591 25439 9418 1 13 . 1 1 79 79 ASP H H 79 9.106 9.106 8.654 0.452 25439 9419 1 13 . 1 1 80 80 TRP N N 80 123.400 123.400 121.730 1.670 25439 9420 1 13 . 1 1 80 80 TRP HA H 80 4.160 4.160 4.145 0.015 25439 9421 1 13 . 1 1 80 80 TRP CA C 80 62.368 62.368 61.638 0.730 25439 9422 1 13 . 1 1 80 80 TRP CB C 80 29.969 29.969 29.390 0.579 25439 9423 1 13 . 1 1 80 80 TRP H H 80 7.931 7.931 8.506 -0.575 25439 9424 1 13 . 1 1 81 81 LEU N N 81 119.674 119.674 118.664 1.010 25439 9425 1 13 . 1 1 81 81 LEU HA H 81 3.971 3.971 2.687 1.284 25439 9426 1 13 . 1 1 81 81 LEU CA C 81 58.294 58.294 57.407 0.887 25439 9427 1 13 . 1 1 81 81 LEU CB C 81 41.818 41.818 41.608 0.210 25439 9428 1 13 . 1 1 81 81 LEU H H 81 8.814 8.814 7.558 1.256 25439 9429 1 13 . 1 1 82 82 ILE N N 82 118.746 118.746 116.754 1.992 25439 9430 1 13 . 1 1 82 82 ILE HA H 82 3.861 3.861 3.696 0.165 25439 9431 1 13 . 1 1 82 82 ILE CA C 82 62.734 62.734 63.017 -0.283 25439 9432 1 13 . 1 1 82 82 ILE CB C 82 36.236 36.236 36.810 -0.574 25439 9433 1 13 . 1 1 82 82 ILE H H 82 7.886 7.886 7.466 0.420 25439 9434 1 13 . 1 1 83 83 LYS N N 83 124.819 124.819 119.749 5.070 25439 9435 1 13 . 1 1 83 83 LYS HA H 83 3.911 3.911 4.091 -0.180 25439 9436 1 13 . 1 1 83 83 LYS CA C 83 59.643 59.643 58.164 1.479 25439 9437 1 13 . 1 1 83 83 LYS CB C 83 32.027 32.027 32.867 -0.841 25439 9438 1 13 . 1 1 83 83 LYS H H 83 8.224 8.224 7.982 0.242 25439 9439 1 13 . 1 1 84 84 GLU N N 84 115.404 115.404 117.981 -2.577 25439 9440 1 13 . 1 1 84 84 GLU HA H 84 3.841 3.841 4.249 -0.408 25439 9441 1 13 . 1 1 84 84 GLU CA C 84 55.582 55.582 55.019 0.563 25439 9442 1 13 . 1 1 84 84 GLU CB C 84 29.459 29.459 28.508 0.951 25439 9443 1 13 . 1 1 84 84 GLU H H 84 8.138 8.138 7.531 0.607 25439 9444 1 13 . 1 1 85 85 LYS N N 85 111.563 111.563 118.609 -7.046 25439 9445 1 13 . 1 1 85 85 LYS HA H 85 3.820 3.820 3.925 -0.105 25439 9446 1 13 . 1 1 85 85 LYS CA C 85 57.890 57.890 57.178 0.712 25439 9447 1 13 . 1 1 85 85 LYS CB C 85 28.005 28.005 30.761 -2.756 25439 9448 1 13 . 1 1 85 85 LYS H H 85 7.719 7.719 7.770 -0.051 25439 9449 1 13 . 1 1 86 86 TYR N N 86 116.916 116.916 120.424 -3.508 25439 9450 1 13 . 1 1 86 86 TYR HA H 86 4.137 4.137 4.504 -0.367 25439 9451 1 13 . 1 1 86 86 TYR CA C 86 61.228 61.228 59.021 2.207 25439 9452 1 13 . 1 1 86 86 TYR CB C 86 39.535 39.535 40.185 -0.650 25439 9453 1 13 . 1 1 86 86 TYR H H 86 8.521 8.521 7.958 0.563 25439 9454 1 13 . 1 1 87 87 ALA N N 87 113.715 113.715 119.661 -5.946 25439 9455 1 13 . 1 1 87 87 ALA HA H 87 4.738 4.738 4.336 0.402 25439 9456 1 13 . 1 1 87 87 ALA CA C 87 49.121 49.121 50.466 -1.345 25439 9457 1 13 . 1 1 87 87 ALA CB C 87 23.295 23.295 21.222 2.073 25439 9458 1 13 . 1 1 87 87 ALA H H 87 6.959 6.959 7.897 -0.939 25439 9459 1 13 . 1 1 88 88 ASP N N 88 119.344 119.344 119.543 -0.199 25439 9460 1 13 . 1 1 88 88 ASP HA H 88 4.544 4.544 4.885 -0.341 25439 9461 1 13 . 1 1 88 88 ASP CA C 88 52.714 52.714 53.378 -0.664 25439 9462 1 13 . 1 1 88 88 ASP CB C 88 41.845 41.845 41.792 0.053 25439 9463 1 13 . 1 1 88 88 ASP H H 88 7.870 7.870 8.559 -0.689 25439 9464 1 13 . 1 1 89 89 LYS N N 89 125.312 125.312 126.221 -0.909 25439 9465 1 13 . 1 1 89 89 LYS HA H 89 3.834 3.834 4.074 -0.240 25439 9466 1 13 . 1 1 89 89 LYS CA C 89 59.409 59.409 59.716 -0.307 25439 9467 1 13 . 1 1 89 89 LYS CB C 89 32.848 32.848 32.575 0.273 25439 9468 1 13 . 1 1 89 89 LYS H H 89 8.467 8.467 8.742 -0.275 25439 9469 1 13 . 1 1 90 90 LEU N N 90 119.899 119.899 120.198 -0.299 25439 9470 1 13 . 1 1 90 90 LEU HA H 90 4.023 4.023 4.026 -0.003 25439 9471 1 13 . 1 1 90 90 LEU CA C 90 57.049 57.049 57.861 -0.812 25439 9472 1 13 . 1 1 90 90 LEU CB C 90 41.099 41.099 41.652 -0.553 25439 9473 1 13 . 1 1 90 90 LEU H H 90 8.076 8.076 8.007 0.069 25439 9474 1 13 . 1 1 91 91 LEU N N 91 123.148 123.148 120.229 2.919 25439 9475 1 13 . 1 1 91 91 LEU HA H 91 3.498 3.498 3.714 -0.216 25439 9476 1 13 . 1 1 91 91 LEU CA C 91 56.971 56.971 57.785 -0.814 25439 9477 1 13 . 1 1 91 91 LEU CB C 91 41.823 41.823 41.734 0.089 25439 9478 1 13 . 1 1 91 91 LEU H H 91 7.120 7.120 7.527 -0.407 25439 9479 1 13 . 1 1 92 92 ILE N N 92 116.780 116.780 118.865 -2.085 25439 9480 1 13 . 1 1 92 92 ILE HA H 92 3.265 3.265 3.865 -0.600 25439 9481 1 13 . 1 1 92 92 ILE CA C 92 65.178 65.178 65.535 -0.357 25439 9482 1 13 . 1 1 92 92 ILE CB C 92 38.209 38.209 37.807 0.402 25439 9483 1 13 . 1 1 92 92 ILE H H 92 7.384 7.384 8.050 -0.666 25439 9484 1 13 . 1 1 93 93 ALA N N 93 117.061 117.061 122.436 -5.375 25439 9485 1 13 . 1 1 93 93 ALA HA H 93 3.930 3.930 4.053 -0.123 25439 9486 1 13 . 1 1 93 93 ALA CA C 93 54.839 54.839 55.530 -0.691 25439 9487 1 13 . 1 1 93 93 ALA CB C 93 18.125 18.125 18.149 -0.024 25439 9488 1 13 . 1 1 93 93 ALA H H 93 7.437 7.437 8.571 -1.134 25439 9489 1 13 . 1 1 94 94 LYS N N 94 116.036 116.036 118.751 -2.715 25439 9490 1 13 . 1 1 94 94 LYS HA H 94 3.803 3.803 3.586 0.217 25439 9491 1 13 . 1 1 94 94 LYS CA C 94 56.945 56.945 58.410 -1.465 25439 9492 1 13 . 1 1 94 94 LYS CB C 94 31.047 31.047 31.593 -0.546 25439 9493 1 13 . 1 1 94 94 LYS H H 94 7.012 7.012 7.592 -0.580 25439 9494 1 13 . 1 1 95 95 TRP N N 95 118.700 118.700 116.849 1.851 25439 9495 1 13 . 1 1 95 95 TRP HA H 95 4.814 4.814 4.539 0.275 25439 9496 1 13 . 1 1 95 95 TRP CA C 95 57.136 57.136 59.081 -1.945 25439 9497 1 13 . 1 1 95 95 TRP CB C 95 28.171 28.171 29.063 -0.892 25439 9498 1 13 . 1 1 95 95 TRP H H 95 7.611 7.611 7.546 0.065 25439 9499 1 13 . 1 1 96 96 ARG N N 96 113.031 113.031 116.731 -3.700 25439 9500 1 13 . 1 1 96 96 ARG HA H 96 4.233 4.233 4.150 0.083 25439 9501 1 13 . 1 1 96 96 ARG CA C 96 56.234 56.234 58.408 -2.175 25439 9502 1 13 . 1 1 96 96 ARG CB C 96 30.245 30.245 30.393 -0.148 25439 9503 1 13 . 1 1 96 96 ARG H H 96 7.066 7.066 7.727 -0.661 25439 9504 1 13 . 1 1 97 97 LYS N N 97 123.252 123.252 119.163 4.089 25439 9505 1 13 . 1 1 97 97 LYS HA H 97 4.634 4.634 4.292 0.342 25439 9506 1 13 . 1 1 97 97 LYS CA C 97 54.937 54.937 57.023 -2.086 25439 9507 1 13 . 1 1 97 97 LYS CB C 97 34.166 34.166 32.811 1.355 25439 9508 1 13 . 1 1 97 97 LYS H H 97 8.467 8.467 7.988 0.479 25439 9509 1 13 . 1 1 98 98 THR N N 98 119.993 119.993 115.233 4.760 25439 9510 1 13 . 1 1 98 98 THR HA H 98 4.224 4.224 4.446 -0.222 25439 9511 1 13 . 1 1 98 98 THR CA C 98 64.670 64.670 62.234 2.436 25439 9512 1 13 . 1 1 98 98 THR CB C 98 69.200 69.200 69.340 -0.140 25439 9513 1 13 . 1 1 98 98 THR H H 98 8.329 8.329 8.266 0.063 25439 9514 1 13 . 1 1 99 99 GLY N N 99 116.645 116.645 113.702 2.943 25439 9515 1 13 . 1 1 99 99 GLY CA C 99 45.047 45.047 44.765 0.282 25439 9516 1 13 . 1 1 99 99 GLY H H 99 9.273 9.273 8.759 0.514 25439 9517 1 13 . 1 1 100 100 TYR N N 100 120.784 120.784 120.023 0.761 25439 9518 1 13 . 1 1 100 100 TYR HA H 100 4.704 4.704 4.802 -0.098 25439 9519 1 13 . 1 1 100 100 TYR CA C 100 57.697 57.697 55.877 1.820 25439 9520 1 13 . 1 1 100 100 TYR CB C 100 39.413 39.413 37.361 2.051 25439 9521 1 13 . 1 1 100 100 TYR H H 100 8.457 8.457 8.135 0.322 25439 9522 1 13 . 1 1 101 101 GLU N N 101 119.482 119.482 122.257 -2.775 25439 9523 1 13 . 1 1 101 101 GLU HA H 101 4.601 4.601 4.449 0.152 25439 9524 1 13 . 1 1 101 101 GLU CA C 101 61.207 61.207 57.153 4.054 25439 9525 1 13 . 1 1 101 101 GLU CB C 101 29.648 29.648 30.541 -0.893 25439 9526 1 13 . 1 1 101 101 GLU H H 101 9.836 9.836 8.652 1.184 25439 9527 1 13 . 1 1 102 102 LYS N N 102 115.179 115.179 121.534 -6.355 25439 9528 1 13 . 1 1 102 102 LYS HA H 102 4.295 4.295 4.553 -0.258 25439 9529 1 13 . 1 1 102 102 LYS CA C 102 54.207 54.207 55.235 -1.028 25439 9530 1 13 . 1 1 102 102 LYS CB C 102 32.489 32.489 31.924 0.565 25439 9531 1 13 . 1 1 102 102 LYS H H 102 8.291 8.291 7.969 0.322 25439 9532 1 13 . 1 1 103 103 LEU N N 103 119.637 119.637 122.730 -3.093 25439 9533 1 13 . 1 1 103 103 LEU HA H 103 4.385 4.385 4.911 -0.526 25439 9534 1 13 . 1 1 103 103 LEU CA C 103 56.549 56.549 54.277 2.272 25439 9535 1 13 . 1 1 103 103 LEU CB C 103 43.864 43.864 44.862 -0.998 25439 9536 1 13 . 1 1 103 103 LEU H H 103 7.642 7.642 8.113 -0.471 25439 9537 1 13 . 1 1 104 104 CYS N N 104 129.651 129.651 121.303 8.348 25439 9538 1 13 . 1 1 104 104 CYS HA H 104 4.498 4.498 5.018 -0.520 25439 9539 1 13 . 1 1 104 104 CYS CA C 104 58.076 58.076 58.638 -0.562 25439 9540 1 13 . 1 1 104 104 CYS CB C 104 32.301 32.301 28.302 3.999 25439 9541 1 13 . 1 1 104 104 CYS H H 104 8.638 8.638 8.912 -0.274 25439 9542 1 13 . 1 1 105 105 CYS N N 105 120.206 120.206 118.385 1.821 25439 9543 1 13 . 1 1 105 105 CYS HA H 105 4.806 4.806 4.874 -0.068 25439 9544 1 13 . 1 1 105 105 CYS CA C 105 58.271 58.271 57.064 1.207 25439 9545 1 13 . 1 1 105 105 CYS CB C 105 32.062 32.062 30.307 1.755 25439 9546 1 13 . 1 1 105 105 CYS H H 105 8.158 8.158 8.063 0.095 25439 9547 1 13 . 1 1 106 106 LEU N N 106 115.513 115.513 120.900 -5.387 25439 9548 1 13 . 1 1 106 106 LEU HA H 106 4.054 4.054 4.297 -0.243 25439 9549 1 13 . 1 1 106 106 LEU CA C 106 56.110 56.110 56.743 -0.633 25439 9550 1 13 . 1 1 106 106 LEU CB C 106 41.227 41.227 42.381 -1.154 25439 9551 1 13 . 1 1 106 106 LEU H H 106 8.466 8.466 8.405 0.061 25439 9552 1 13 . 1 1 107 107 ARG N N 107 122.711 122.711 118.377 4.334 25439 9553 1 13 . 1 1 107 107 ARG HA H 107 3.993 3.993 4.313 -0.320 25439 9554 1 13 . 1 1 107 107 ARG CA C 107 58.311 58.311 56.495 1.816 25439 9555 1 13 . 1 1 107 107 ARG CB C 107 28.965 28.965 29.719 -0.754 25439 9556 1 13 . 1 1 107 107 ARG H H 107 8.131 8.131 8.141 -0.010 25439 9557 1 13 . 1 1 108 108 CYS N N 108 119.055 119.055 118.086 0.969 25439 9558 1 13 . 1 1 108 108 CYS HA H 108 4.101 4.101 4.792 -0.691 25439 9559 1 13 . 1 1 108 108 CYS CA C 108 63.936 63.936 57.880 6.056 25439 9560 1 13 . 1 1 108 108 CYS CB C 108 30.934 30.934 27.887 3.047 25439 9561 1 13 . 1 1 108 108 CYS H H 108 8.010 8.010 8.025 -0.015 25439 9562 1 13 . 1 1 109 109 ILE N N 109 107.315 107.315 112.650 -5.335 25439 9563 1 13 . 1 1 109 109 ILE HA H 109 4.684 4.684 4.471 0.213 25439 9564 1 13 . 1 1 109 109 ILE CA C 109 60.483 60.483 61.185 -0.702 25439 9565 1 13 . 1 1 109 109 ILE CB C 109 38.320 38.320 38.966 -0.646 25439 9566 1 13 . 1 1 109 109 ILE H H 109 7.105 7.105 7.528 -0.423 25439 9567 1 13 . 1 1 110 110 GLN N N 110 122.468 122.468 121.402 1.066 25439 9568 1 13 . 1 1 110 110 GLN HA H 110 4.268 4.268 4.658 -0.390 25439 9569 1 13 . 1 1 110 110 GLN CA C 110 55.981 55.981 54.654 1.327 25439 9570 1 13 . 1 1 110 110 GLN CB C 110 29.656 29.656 31.750 -2.094 25439 9571 1 13 . 1 1 110 110 GLN H H 110 7.156 7.156 8.068 -0.912 25439 9572 1 13 . 1 1 111 111 LYS N N 111 124.650 124.650 121.248 3.402 25439 9573 1 13 . 1 1 111 111 LYS HA H 111 4.246 4.246 5.016 -0.770 25439 9574 1 13 . 1 1 111 111 LYS CA C 111 56.546 56.546 54.980 1.566 25439 9575 1 13 . 1 1 111 111 LYS CB C 111 32.846 32.846 35.544 -2.699 25439 9576 1 13 . 1 1 111 111 LYS H H 111 8.522 8.522 8.422 0.100 25439 9577 1 13 . 1 1 112 112 ASN N N 112 120.972 120.972 118.701 2.271 25439 9578 1 13 . 1 1 112 112 ASN HA H 112 4.778 4.778 4.919 -0.141 25439 9579 1 13 . 1 1 112 112 ASN CA C 112 52.902 52.902 52.583 0.319 25439 9580 1 13 . 1 1 112 112 ASN CB C 112 39.328 39.328 41.506 -2.178 25439 9581 1 13 . 1 1 112 112 ASN H H 112 8.360 8.360 8.595 -0.235 25439 9582 1 13 . 1 1 113 113 GLU N N 113 121.710 121.710 118.981 2.729 25439 9583 1 13 . 1 1 113 113 GLU HA H 113 4.248 4.248 4.002 0.246 25439 9584 1 13 . 1 1 113 113 GLU CA C 113 58.611 58.611 57.745 0.866 25439 9585 1 13 . 1 1 113 113 GLU CB C 113 29.590 29.590 29.988 -0.398 25439 9586 1 13 . 1 1 113 113 GLU H H 113 9.023 9.023 8.724 0.299 25439 9587 1 13 . 1 1 114 114 THR N N 114 112.186 112.186 116.493 -4.307 25439 9588 1 13 . 1 1 114 114 THR HA H 114 4.321 4.321 4.423 -0.102 25439 9589 1 13 . 1 1 114 114 THR CA C 114 63.161 63.161 62.314 0.847 25439 9590 1 13 . 1 1 114 114 THR CB C 114 69.481 69.481 69.185 0.296 25439 9591 1 13 . 1 1 114 114 THR H H 114 8.112 8.112 8.428 -0.316 25439 9592 1 13 . 1 1 115 115 ASN N N 115 119.112 119.112 124.001 -4.889 25439 9593 1 13 . 1 1 115 115 ASN HA H 115 4.829 4.829 4.341 0.488 25439 9594 1 13 . 1 1 115 115 ASN CA C 115 53.110 53.110 54.395 -1.285 25439 9595 1 13 . 1 1 115 115 ASN CB C 115 38.659 38.659 37.974 0.685 25439 9596 1 13 . 1 1 115 115 ASN H H 115 8.047 8.047 9.073 -1.026 25439 9597 1 13 . 1 1 116 116 ASN N N 116 117.175 117.175 116.098 1.077 25439 9598 1 13 . 1 1 116 116 ASN HA H 116 4.615 4.615 4.792 -0.177 25439 9599 1 13 . 1 1 116 116 ASN CA C 116 53.965 53.965 53.227 0.738 25439 9600 1 13 . 1 1 116 116 ASN CB C 116 38.173 38.173 39.380 -1.207 25439 9601 1 13 . 1 1 116 116 ASN H H 116 8.364 8.364 8.479 -0.115 25439 9602 1 13 . 1 1 117 117 GLY N N 117 107.294 107.294 106.918 0.376 25439 9603 1 13 . 1 1 117 117 GLY CA C 117 45.882 45.882 43.948 1.934 25439 9604 1 13 . 1 1 117 117 GLY H H 117 8.264 8.264 7.777 0.487 25439 9605 1 13 . 1 1 118 118 SER N N 118 115.475 115.475 117.532 -2.057 25439 9606 1 13 . 1 1 118 118 SER HA H 118 4.586 4.586 4.773 -0.187 25439 9607 1 13 . 1 1 118 118 SER CA C 118 57.974 57.974 57.832 0.142 25439 9608 1 13 . 1 1 118 118 SER CB C 118 64.479 64.479 63.654 0.825 25439 9609 1 13 . 1 1 118 118 SER H H 118 7.905 7.905 8.559 -0.654 25439 9610 1 13 . 1 1 119 119 THR N N 119 111.360 111.360 118.454 -7.094 25439 9611 1 13 . 1 1 119 119 THR HA H 119 4.450 4.450 4.753 -0.303 25439 9612 1 13 . 1 1 119 119 THR CA C 119 61.215 61.215 61.216 -0.001 25439 9613 1 13 . 1 1 119 119 THR CB C 119 70.569 70.569 71.447 -0.878 25439 9614 1 13 . 1 1 119 119 THR H H 119 8.044 8.044 8.203 -0.159 25439 9615 1 13 . 1 1 120 120 CYS N N 120 122.708 122.708 121.966 0.742 25439 9616 1 13 . 1 1 120 120 CYS HA H 120 4.255 4.255 4.731 -0.476 25439 9617 1 13 . 1 1 120 120 CYS CA C 120 61.469 61.469 57.905 3.564 25439 9618 1 13 . 1 1 120 120 CYS CB C 120 30.892 30.892 28.943 1.949 25439 9619 1 13 . 1 1 120 120 CYS H H 120 8.045 8.045 8.511 -0.466 25439 9620 1 13 . 1 1 121 121 ILE N N 121 132.463 132.463 123.942 8.521 25439 9621 1 13 . 1 1 121 121 ILE HA H 121 4.025 4.025 3.810 0.215 25439 9622 1 13 . 1 1 121 121 ILE CA C 121 63.353 63.353 63.199 0.154 25439 9623 1 13 . 1 1 121 121 ILE CB C 121 38.222 38.222 37.581 0.641 25439 9624 1 13 . 1 1 121 121 ILE H H 121 8.237 8.237 8.376 -0.139 25439 9625 1 13 . 1 1 122 122 CYS N N 122 123.931 123.931 117.921 6.010 25439 9626 1 13 . 1 1 122 122 CYS HA H 122 4.233 4.233 4.196 0.037 25439 9627 1 13 . 1 1 122 122 CYS CA C 122 60.230 60.230 60.533 -0.303 25439 9628 1 13 . 1 1 122 122 CYS CB C 122 30.602 30.602 26.034 4.568 25439 9629 1 13 . 1 1 122 122 CYS H H 122 9.355 9.355 7.503 1.852 25439 9630 1 13 . 1 1 123 123 ARG N N 123 119.561 119.561 120.683 -1.122 25439 9631 1 13 . 1 1 123 123 ARG HA H 123 4.150 4.150 4.338 -0.188 25439 9632 1 13 . 1 1 123 123 ARG CA C 123 53.177 53.177 58.299 -5.122 25439 9633 1 13 . 1 1 123 123 ARG CB C 123 27.961 27.961 30.619 -2.658 25439 9634 1 13 . 1 1 123 123 ARG H H 123 7.677 7.677 7.626 0.051 25439 9635 1 13 . 1 1 124 124 VAL N N 124 122.794 122.794 121.023 1.771 25439 9636 1 13 . 1 1 124 124 VAL HA H 124 4.081 4.081 4.093 -0.012 25439 9637 1 13 . 1 1 124 124 VAL CA C 124 60.647 60.647 60.682 -0.035 25439 9638 1 13 . 1 1 124 124 VAL CB C 124 32.857 32.857 31.183 1.673 25439 9639 1 13 . 1 1 124 124 VAL H H 124 7.578 7.578 7.409 0.169 25439 9640 1 13 . 1 1 125 125 PRO HA H 125 4.263 4.263 4.484 -0.221 25439 9641 1 13 . 1 1 125 125 PRO CA C 125 63.268 63.268 62.306 0.962 25439 9642 1 13 . 1 1 125 125 PRO CB C 125 32.379 32.379 32.813 -0.434 25439 9643 1 13 . 1 1 126 126 ARG N N 126 128.350 128.350 120.093 8.257 25439 9644 1 13 . 1 1 126 126 ARG HA H 126 3.912 3.912 4.023 -0.111 25439 9645 1 13 . 1 1 126 126 ARG CA C 126 59.653 59.653 59.278 0.375 25439 9646 1 13 . 1 1 126 126 ARG CB C 126 29.339 29.339 29.116 0.223 25439 9647 1 13 . 1 1 126 126 ARG H H 126 9.534 9.534 8.697 0.837 25439 9648 1 13 . 1 1 127 127 ALA N N 127 119.169 119.169 120.117 -0.948 25439 9649 1 13 . 1 1 127 127 ALA HA H 127 4.192 4.192 4.275 -0.083 25439 9650 1 13 . 1 1 127 127 ALA CA C 127 55.227 55.227 55.190 0.037 25439 9651 1 13 . 1 1 127 127 ALA CB C 127 18.363 18.363 18.211 0.152 25439 9652 1 13 . 1 1 127 127 ALA H H 127 9.263 9.263 8.186 1.077 25439 9653 1 13 . 1 1 128 128 GLN N N 128 117.345 117.345 118.580 -1.235 25439 9654 1 13 . 1 1 128 128 GLN HA H 128 4.209 4.209 4.078 0.131 25439 9655 1 13 . 1 1 128 128 GLN CA C 128 58.506 58.506 58.480 0.026 25439 9656 1 13 . 1 1 128 128 GLN CB C 128 28.220 28.220 28.271 -0.051 25439 9657 1 13 . 1 1 128 128 GLN H H 128 7.448 7.448 8.295 -0.847 25439 9658 1 13 . 1 1 129 129 LEU N N 129 120.561 120.561 120.227 0.334 25439 9659 1 13 . 1 1 129 129 LEU HA H 129 4.088 4.088 3.879 0.209 25439 9660 1 13 . 1 1 129 129 LEU CA C 129 57.952 57.952 57.956 -0.004 25439 9661 1 13 . 1 1 129 129 LEU CB C 129 41.817 41.817 41.847 -0.030 25439 9662 1 13 . 1 1 129 129 LEU H H 129 7.622 7.622 7.522 0.100 25439 9663 1 13 . 1 1 130 130 GLU N N 130 119.122 119.122 118.567 0.555 25439 9664 1 13 . 1 1 130 130 GLU HA H 130 3.956 3.956 3.885 0.071 25439 9665 1 13 . 1 1 130 130 GLU CA C 130 59.353 59.353 59.608 -0.255 25439 9666 1 13 . 1 1 130 130 GLU CB C 130 29.337 29.337 29.324 0.013 25439 9667 1 13 . 1 1 130 130 GLU H H 130 8.656 8.656 8.456 0.200 25439 9668 1 13 . 1 1 131 131 GLU N N 131 121.469 121.469 118.999 2.470 25439 9669 1 13 . 1 1 131 131 GLU HA H 131 4.163 4.163 3.984 0.179 25439 9670 1 13 . 1 1 131 131 GLU CA C 131 59.288 59.288 59.455 -0.167 25439 9671 1 13 . 1 1 131 131 GLU CB C 131 29.422 29.422 29.559 -0.137 25439 9672 1 13 . 1 1 131 131 GLU H H 131 7.922 7.922 7.737 0.185 25439 9673 1 13 . 1 1 132 132 GLU N N 132 119.241 119.241 118.892 0.349 25439 9674 1 13 . 1 1 132 132 GLU HA H 132 3.998 3.998 4.039 -0.041 25439 9675 1 13 . 1 1 132 132 GLU CA C 132 59.327 59.327 59.108 0.219 25439 9676 1 13 . 1 1 132 132 GLU CB C 132 29.421 29.421 29.413 0.008 25439 9677 1 13 . 1 1 132 132 GLU H H 132 8.099 8.099 7.626 0.473 25439 9678 1 13 . 1 1 133 133 ALA N N 133 121.302 121.302 121.652 -0.350 25439 9679 1 13 . 1 1 133 133 ALA HA H 133 4.053 4.053 4.029 0.024 25439 9680 1 13 . 1 1 133 133 ALA CA C 133 54.973 54.973 54.975 -0.002 25439 9681 1 13 . 1 1 133 133 ALA CB C 133 18.154 18.154 18.274 -0.120 25439 9682 1 13 . 1 1 133 133 ALA H H 133 7.795 7.795 7.465 0.330 25439 9683 1 13 . 1 1 134 134 ARG N N 134 118.757 118.757 118.204 0.553 25439 9684 1 13 . 1 1 134 134 ARG HA H 134 4.143 4.143 3.991 0.152 25439 9685 1 13 . 1 1 134 134 ARG CA C 134 59.438 59.438 59.439 -0.001 25439 9686 1 13 . 1 1 134 134 ARG CB C 134 30.148 30.148 30.007 0.141 25439 9687 1 13 . 1 1 134 134 ARG H H 134 8.145 8.145 7.707 0.438 25439 9688 1 13 . 1 1 135 135 LYS N N 135 119.496 119.496 119.854 -0.358 25439 9689 1 13 . 1 1 135 135 LYS HA H 135 4.073 4.073 4.113 -0.040 25439 9690 1 13 . 1 1 135 135 LYS CA C 135 59.327 59.327 58.859 0.467 25439 9691 1 13 . 1 1 135 135 LYS CB C 135 32.539 32.539 32.426 0.113 25439 9692 1 13 . 1 1 135 135 LYS H H 135 8.036 8.036 7.714 0.322 25439 9693 1 13 . 1 1 136 136 LYS N N 136 116.645 116.645 116.699 -0.054 25439 9694 1 13 . 1 1 136 136 LYS HA H 136 4.362 4.362 4.484 -0.122 25439 9695 1 13 . 1 1 136 136 LYS CA C 136 56.575 56.575 55.092 1.483 25439 9696 1 13 . 1 1 136 136 LYS CB C 136 33.629 33.629 32.610 1.019 25439 9697 1 13 . 1 1 136 136 LYS H H 136 7.682 7.682 7.459 0.223 25439 9698 1 13 . 1 1 137 137 GLY N N 137 109.349 109.349 109.482 -0.133 25439 9699 1 13 . 1 1 137 137 GLY CA C 137 46.358 46.358 46.226 0.132 25439 9700 1 13 . 1 1 137 137 GLY H H 137 8.064 8.064 7.746 0.318 25439 9701 1 13 . 1 1 138 138 THR N N 138 112.870 112.870 113.136 -0.266 25439 9702 1 13 . 1 1 138 138 THR HA H 138 4.735 4.735 4.611 0.124 25439 9703 1 13 . 1 1 138 138 THR CA C 138 59.308 59.308 60.349 -1.041 25439 9704 1 13 . 1 1 138 138 THR CB C 138 70.755 70.755 71.176 -0.421 25439 9705 1 13 . 1 1 138 138 THR H H 138 8.111 8.111 8.010 0.101 25439 9706 1 13 . 1 1 139 139 GLN N N 139 118.177 118.177 120.166 -1.989 25439 9707 1 13 . 1 1 139 139 GLN HA H 139 4.609 4.609 4.645 -0.036 25439 9708 1 13 . 1 1 139 139 GLN CA C 139 54.435 54.435 54.964 -0.529 25439 9709 1 13 . 1 1 139 139 GLN CB C 139 30.777 30.777 31.001 -0.224 25439 9710 1 13 . 1 1 139 139 GLN H H 139 8.227 8.227 8.278 -0.051 25439 9711 1 13 . 1 1 140 140 VAL N N 140 123.601 123.601 119.760 3.841 25439 9712 1 13 . 1 1 140 140 VAL HA H 140 3.790 3.790 4.361 -0.571 25439 9713 1 13 . 1 1 140 140 VAL CA C 140 63.934 63.934 61.143 2.791 25439 9714 1 13 . 1 1 140 140 VAL CB C 140 32.154 32.154 35.062 -2.908 25439 9715 1 13 . 1 1 140 140 VAL H H 140 8.839 8.839 8.171 0.668 25439 9716 1 13 . 1 1 141 141 SER HA H 141 4.524 4.524 4.512 0.012 25439 9717 1 13 . 1 1 141 141 SER CA C 141 57.841 57.841 58.410 -0.569 25439 9718 1 13 . 1 1 141 141 SER CB C 141 64.174 64.174 63.488 0.686 25439 9719 1 13 . 1 1 142 142 PHE N N 142 123.726 123.726 125.152 -1.426 25439 9720 1 13 . 1 1 142 142 PHE HA H 142 4.458 4.458 4.770 -0.312 25439 9721 1 13 . 1 1 142 142 PHE CA C 142 58.673 58.673 58.166 0.507 25439 9722 1 13 . 1 1 142 142 PHE CB C 142 40.055 40.055 40.574 -0.519 25439 9723 1 13 . 1 1 142 142 PHE H H 142 7.534 7.534 8.228 -0.694 25439 9724 1 13 . 1 1 143 143 HIS N N 143 126.548 126.548 118.511 8.037 25439 9725 1 13 . 1 1 143 143 HIS HA H 143 4.336 4.336 4.277 0.059 25439 9726 1 13 . 1 1 143 143 HIS CA C 143 56.837 56.837 56.075 0.762 25439 9727 1 13 . 1 1 143 143 HIS CB C 143 31.949 31.949 31.635 0.314 25439 9728 1 13 . 1 1 143 143 HIS H H 143 8.308 8.308 7.350 0.958 25439 9729 1 13 . 1 1 144 144 GLN N N 144 115.094 115.094 116.295 -1.201 25439 9730 1 13 . 1 1 144 144 GLN HA H 144 4.433 4.433 4.583 -0.150 25439 9731 1 13 . 1 1 144 144 GLN CA C 144 54.210 54.210 53.264 0.946 25439 9732 1 13 . 1 1 144 144 GLN CB C 144 32.925 32.925 31.905 1.020 25439 9733 1 13 . 1 1 144 144 GLN H H 144 7.203 7.203 7.017 0.186 25439 9734 1 13 . 1 1 145 145 CYS N N 145 123.088 123.088 119.265 3.823 25439 9735 1 13 . 1 1 145 145 CYS HA H 145 4.961 4.961 5.059 -0.098 25439 9736 1 13 . 1 1 145 145 CYS CA C 145 57.978 57.978 56.970 1.008 25439 9737 1 13 . 1 1 145 145 CYS CB C 145 33.555 33.555 29.907 3.648 25439 9738 1 13 . 1 1 145 145 CYS H H 145 8.668 8.668 8.527 0.141 25439 9739 1 13 . 1 1 146 146 VAL N N 146 113.265 113.265 118.702 -5.437 25439 9740 1 13 . 1 1 146 146 VAL HA H 146 4.238 4.238 4.216 0.022 25439 9741 1 13 . 1 1 146 146 VAL CA C 146 64.001 64.001 65.131 -1.130 25439 9742 1 13 . 1 1 146 146 VAL CB C 146 32.157 32.157 31.626 0.531 25439 9743 1 13 . 1 1 146 146 VAL H H 146 8.198 8.198 8.415 -0.217 25439 9744 1 13 . 1 1 147 147 HIS N N 147 120.556 120.556 119.855 0.701 25439 9745 1 13 . 1 1 147 147 HIS HA H 147 4.604 4.604 4.350 0.254 25439 9746 1 13 . 1 1 147 147 HIS CA C 147 58.708 58.708 58.489 0.219 25439 9747 1 13 . 1 1 147 147 HIS CB C 147 32.204 32.204 29.288 2.916 25439 9748 1 13 . 1 1 147 147 HIS H H 147 7.151 7.151 8.320 -1.169 25439 9749 1 13 . 1 1 148 148 CYS N N 148 112.110 112.110 112.219 -0.109 25439 9750 1 13 . 1 1 148 148 CYS HA H 148 4.889 4.889 4.818 0.071 25439 9751 1 13 . 1 1 148 148 CYS CA C 148 57.952 57.952 55.577 2.375 25439 9752 1 13 . 1 1 148 148 CYS CB C 148 32.956 32.956 30.311 2.645 25439 9753 1 13 . 1 1 148 148 CYS H H 148 7.413 7.413 7.286 0.127 25439 9754 1 13 . 1 1 149 149 GLY N N 149 112.797 112.797 108.228 4.569 25439 9755 1 13 . 1 1 149 149 GLY CA C 149 45.327 45.327 44.412 0.915 25439 9756 1 13 . 1 1 149 149 GLY H H 149 6.949 6.949 8.350 -1.401 25439 9757 1 13 . 1 1 150 150 CYS N N 150 127.277 127.277 119.810 7.467 25439 9758 1 13 . 1 1 150 150 CYS HA H 150 3.932 3.932 4.537 -0.605 25439 9759 1 13 . 1 1 150 150 CYS CA C 150 61.362 61.362 57.252 4.111 25439 9760 1 13 . 1 1 150 150 CYS CB C 150 30.632 30.632 29.838 0.794 25439 9761 1 13 . 1 1 150 150 CYS H H 150 8.240 8.240 7.124 1.116 25439 9762 1 13 . 1 1 151 151 ARG N N 151 125.476 125.476 126.698 -1.222 25439 9763 1 13 . 1 1 151 151 ARG HA H 151 4.775 4.775 4.313 0.462 25439 9764 1 13 . 1 1 151 151 ARG CA C 151 56.164 56.164 55.180 0.984 25439 9765 1 13 . 1 1 151 151 ARG CB C 151 30.354 30.354 29.491 0.863 25439 9766 1 13 . 1 1 151 151 ARG H H 151 8.492 8.492 8.658 -0.166 25439 9767 1 13 . 1 1 152 152 GLY N N 152 117.275 117.275 108.160 9.115 25439 9768 1 13 . 1 1 152 152 GLY CA C 152 45.523 45.523 45.475 0.048 25439 9769 1 13 . 1 1 152 152 GLY H H 152 9.812 9.812 7.642 2.170 25439 9770 1 13 . 1 1 153 153 CYS N N 153 126.187 126.187 118.906 7.281 25439 9771 1 13 . 1 1 153 153 CYS HA H 153 4.842 4.842 4.805 0.037 25439 9772 1 13 . 1 1 153 153 CYS CA C 153 57.130 57.130 55.796 1.334 25439 9773 1 13 . 1 1 153 153 CYS CB C 153 31.368 31.368 28.218 3.150 25439 9774 1 13 . 1 1 153 153 CYS H H 153 8.930 8.930 8.126 0.804 25439 9775 1 13 . 1 1 154 154 ALA N N 154 125.869 125.869 126.280 -0.411 25439 9776 1 13 . 1 1 154 154 ALA HA H 154 4.159 4.159 5.030 -0.871 25439 9777 1 13 . 1 1 154 154 ALA CA C 154 53.187 53.187 51.398 1.790 25439 9778 1 13 . 1 1 154 154 ALA CB C 154 18.937 18.937 20.912 -1.975 25439 9779 1 13 . 1 1 154 154 ALA H H 154 8.616 8.616 8.485 0.131 25439 9780 1 13 . 1 1 155 155 SER N N 155 116.724 116.724 119.714 -2.990 25439 9781 1 13 . 1 1 155 155 SER HA H 155 4.283 4.283 4.402 -0.119 25439 9782 1 13 . 1 1 155 155 SER CA C 155 60.136 60.136 59.955 0.181 25439 9783 1 13 . 1 1 155 155 SER CB C 155 63.575 63.575 63.994 -0.419 25439 9784 1 13 . 1 1 155 155 SER H H 155 9.358 9.358 8.622 0.736 25439 9785 1 13 . 1 1 156 156 THR N N 156 111.893 111.893 116.227 -4.334 25439 9786 1 13 . 1 1 156 156 THR HA H 156 4.358 4.358 4.064 0.294 25439 9787 1 13 . 1 1 156 156 THR CA C 156 61.264 61.264 65.110 -3.846 25439 9788 1 13 . 1 1 156 156 THR CB C 156 69.999 69.999 69.072 0.927 25439 9789 1 13 . 1 1 156 156 THR H H 156 7.638 7.638 8.216 -0.578 25439 9790 1 14 . 1 1 0 0 GLY CA C 0 43.750 43.750 46.000 -2.250 25439 9791 1 14 . 1 1 1 1 SER N N 1 117.201 117.201 117.343 -0.142 25439 9792 1 14 . 1 1 1 1 SER HA H 1 4.809 4.809 4.799 0.010 25439 9793 1 14 . 1 1 1 1 SER CA C 1 56.525 56.525 56.198 0.327 25439 9794 1 14 . 1 1 1 1 SER CB C 1 63.385 63.385 64.189 -0.804 25439 9795 1 14 . 1 1 1 1 SER H H 1 8.381 8.381 8.209 0.172 25439 9796 1 14 . 1 1 2 2 PRO HA H 2 4.468 4.468 4.636 -0.168 25439 9797 1 14 . 1 1 2 2 PRO CA C 2 63.292 63.292 62.935 0.356 25439 9798 1 14 . 1 1 2 2 PRO CB C 2 32.174 32.174 32.427 -0.253 25439 9799 1 14 . 1 1 3 3 ARG N N 3 121.649 121.649 122.231 -0.582 25439 9800 1 14 . 1 1 3 3 ARG HA H 3 4.324 4.324 4.513 -0.189 25439 9801 1 14 . 1 1 3 3 ARG CA C 3 56.226 56.226 55.601 0.625 25439 9802 1 14 . 1 1 3 3 ARG CB C 3 30.732 30.732 31.626 -0.894 25439 9803 1 14 . 1 1 3 3 ARG H H 3 8.428 8.428 8.210 0.218 25439 9804 1 14 . 1 1 4 4 ILE N N 4 122.500 122.500 118.622 3.878 25439 9805 1 14 . 1 1 4 4 ILE HA H 4 4.181 4.181 4.563 -0.382 25439 9806 1 14 . 1 1 4 4 ILE CA C 4 60.943 60.943 60.249 0.694 25439 9807 1 14 . 1 1 4 4 ILE CB C 4 38.751 38.751 40.736 -1.985 25439 9808 1 14 . 1 1 4 4 ILE H H 4 8.165 8.165 8.226 -0.061 25439 9809 1 14 . 1 1 5 5 LYS N N 5 126.237 126.237 122.406 3.831 25439 9810 1 14 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.693 -0.291 25439 9811 1 14 . 1 1 5 5 LYS CA C 5 56.422 56.422 55.876 0.546 25439 9812 1 14 . 1 1 5 5 LYS CB C 5 33.130 33.130 33.900 -0.770 25439 9813 1 14 . 1 1 5 5 LYS H H 5 8.500 8.500 8.351 0.149 25439 9814 1 14 . 1 1 6 6 THR N N 6 116.495 116.495 116.734 -0.239 25439 9815 1 14 . 1 1 6 6 THR HA H 6 4.323 4.323 4.524 -0.201 25439 9816 1 14 . 1 1 6 6 THR CA C 6 61.918 61.918 62.175 -0.257 25439 9817 1 14 . 1 1 6 6 THR CB C 6 69.963 69.963 69.902 0.061 25439 9818 1 14 . 1 1 6 6 THR H H 6 8.194 8.194 8.376 -0.182 25439 9819 1 14 . 1 1 7 7 ARG N N 7 124.128 124.128 126.264 -2.136 25439 9820 1 14 . 1 1 7 7 ARG HA H 7 4.396 4.396 4.576 -0.180 25439 9821 1 14 . 1 1 7 7 ARG CA C 7 56.128 56.128 56.836 -0.708 25439 9822 1 14 . 1 1 7 7 ARG CB C 7 30.953 30.953 30.608 0.345 25439 9823 1 14 . 1 1 7 7 ARG H H 7 8.458 8.458 8.621 -0.163 25439 9824 1 14 . 1 1 8 8 ARG N N 8 123.384 123.384 120.426 2.958 25439 9825 1 14 . 1 1 8 8 ARG HA H 8 4.424 4.424 4.699 -0.275 25439 9826 1 14 . 1 1 8 8 ARG CA C 8 56.011 56.011 55.450 0.561 25439 9827 1 14 . 1 1 8 8 ARG CB C 8 31.058 31.058 31.283 -0.225 25439 9828 1 14 . 1 1 8 8 ARG H H 8 8.526 8.526 8.392 0.134 25439 9829 1 14 . 1 1 9 9 SER N N 9 118.446 118.446 114.891 3.555 25439 9830 1 14 . 1 1 9 9 SER HA H 9 4.473 4.473 5.010 -0.537 25439 9831 1 14 . 1 1 9 9 SER CA C 9 58.568 58.568 57.971 0.597 25439 9832 1 14 . 1 1 9 9 SER CB C 9 63.986 63.986 64.673 -0.687 25439 9833 1 14 . 1 1 9 9 SER H H 9 8.450 8.450 8.175 0.275 25439 9834 1 14 . 1 1 10 10 LYS N N 10 124.117 124.117 121.056 3.061 25439 9835 1 14 . 1 1 10 10 LYS HA H 10 4.673 4.673 4.871 -0.198 25439 9836 1 14 . 1 1 10 10 LYS CA C 10 54.412 54.412 54.100 0.312 25439 9837 1 14 . 1 1 10 10 LYS CB C 10 32.693 32.693 34.246 -1.553 25439 9838 1 14 . 1 1 10 10 LYS H H 10 8.426 8.426 8.626 -0.200 25439 9839 1 14 . 1 1 11 11 PRO HA H 11 4.360 4.360 4.515 -0.155 25439 9840 1 14 . 1 1 11 11 PRO CA C 11 62.861 62.861 62.541 0.320 25439 9841 1 14 . 1 1 11 11 PRO CB C 11 32.106 32.106 32.231 -0.125 25439 9842 1 14 . 1 1 12 12 ALA N N 12 124.420 124.420 122.391 2.029 25439 9843 1 14 . 1 1 12 12 ALA HA H 12 2.889 2.889 3.290 -0.401 25439 9844 1 14 . 1 1 12 12 ALA CA C 12 49.735 49.735 49.263 0.472 25439 9845 1 14 . 1 1 12 12 ALA CB C 12 18.066 18.066 16.975 1.091 25439 9846 1 14 . 1 1 12 12 ALA H H 12 7.890 7.890 7.731 0.159 25439 9847 1 14 . 1 1 13 13 PRO HA H 13 4.207 4.207 4.480 -0.273 25439 9848 1 14 . 1 1 13 13 PRO CA C 13 62.111 62.111 61.839 0.272 25439 9849 1 14 . 1 1 13 13 PRO CB C 13 32.582 32.582 32.181 0.401 25439 9850 1 14 . 1 1 14 14 ASP N N 14 119.535 119.535 119.433 0.102 25439 9851 1 14 . 1 1 14 14 ASP HA H 14 4.379 4.379 4.267 0.112 25439 9852 1 14 . 1 1 14 14 ASP CA C 14 56.427 56.427 56.952 -0.525 25439 9853 1 14 . 1 1 14 14 ASP CB C 14 41.177 41.177 39.970 1.207 25439 9854 1 14 . 1 1 14 14 ASP H H 14 8.206 8.206 8.562 -0.356 25439 9855 1 14 . 1 1 15 15 GLY N N 15 113.273 113.273 107.707 5.566 25439 9856 1 14 . 1 1 15 15 GLY CA C 15 45.146 45.146 46.577 -1.431 25439 9857 1 14 . 1 1 15 15 GLY H H 15 8.723 8.723 8.408 0.315 25439 9858 1 14 . 1 1 16 16 PHE N N 16 123.113 123.113 122.671 0.442 25439 9859 1 14 . 1 1 16 16 PHE HA H 16 4.125 4.125 4.252 -0.127 25439 9860 1 14 . 1 1 16 16 PHE CA C 16 60.715 60.715 59.418 1.297 25439 9861 1 14 . 1 1 16 16 PHE CB C 16 39.639 39.639 39.082 0.557 25439 9862 1 14 . 1 1 16 16 PHE H H 16 8.127 8.127 8.307 -0.180 25439 9863 1 14 . 1 1 17 17 GLU N N 17 115.695 115.695 119.462 -3.767 25439 9864 1 14 . 1 1 17 17 GLU HA H 17 3.768 3.768 3.790 -0.022 25439 9865 1 14 . 1 1 17 17 GLU CA C 17 59.234 59.234 59.441 -0.207 25439 9866 1 14 . 1 1 17 17 GLU CB C 17 28.495 28.495 29.366 -0.871 25439 9867 1 14 . 1 1 17 17 GLU H H 17 9.088 9.088 8.244 0.844 25439 9868 1 14 . 1 1 18 18 LYS N N 18 115.887 115.887 117.851 -1.964 25439 9869 1 14 . 1 1 18 18 LYS HA H 18 4.165 4.165 4.054 0.111 25439 9870 1 14 . 1 1 18 18 LYS CA C 18 58.249 58.249 58.941 -0.692 25439 9871 1 14 . 1 1 18 18 LYS CB C 18 32.725 32.725 32.836 -0.111 25439 9872 1 14 . 1 1 18 18 LYS H H 18 7.285 7.285 7.768 -0.483 25439 9873 1 14 . 1 1 19 19 ILE N N 19 110.277 110.277 111.065 -0.788 25439 9874 1 14 . 1 1 19 19 ILE HA H 19 4.722 4.722 4.683 0.039 25439 9875 1 14 . 1 1 19 19 ILE CA C 19 61.093 61.093 59.836 1.257 25439 9876 1 14 . 1 1 19 19 ILE CB C 19 39.139 39.139 38.218 0.921 25439 9877 1 14 . 1 1 19 19 ILE H H 19 7.031 7.031 7.486 -0.455 25439 9878 1 14 . 1 1 20 20 LYS N N 20 124.540 124.540 122.684 1.856 25439 9879 1 14 . 1 1 20 20 LYS HA H 20 3.603 3.603 3.727 -0.124 25439 9880 1 14 . 1 1 20 20 LYS CA C 20 60.917 60.917 59.789 1.128 25439 9881 1 14 . 1 1 20 20 LYS CB C 20 30.210 30.210 30.449 -0.239 25439 9882 1 14 . 1 1 20 20 LYS H H 20 7.666 7.666 7.515 0.151 25439 9883 1 14 . 1 1 21 21 PRO HA H 21 4.292 4.292 4.607 -0.315 25439 9884 1 14 . 1 1 21 21 PRO CA C 21 66.990 66.990 65.227 1.764 25439 9885 1 14 . 1 1 21 21 PRO CB C 21 30.779 30.779 31.493 -0.714 25439 9886 1 14 . 1 1 22 22 THR N N 22 114.917 114.917 115.506 -0.589 25439 9887 1 14 . 1 1 22 22 THR HA H 22 3.866 3.866 4.042 -0.176 25439 9888 1 14 . 1 1 22 22 THR CA C 22 66.575 66.575 66.682 -0.107 25439 9889 1 14 . 1 1 22 22 THR CB C 22 68.731 68.731 68.163 0.568 25439 9890 1 14 . 1 1 22 22 THR H H 22 7.331 7.331 8.411 -1.080 25439 9891 1 14 . 1 1 23 23 LEU N N 23 120.152 120.152 120.136 0.016 25439 9892 1 14 . 1 1 23 23 LEU HA H 23 4.397 4.397 4.155 0.242 25439 9893 1 14 . 1 1 23 23 LEU CA C 23 58.740 58.740 57.985 0.755 25439 9894 1 14 . 1 1 23 23 LEU CB C 23 40.489 40.489 41.851 -1.362 25439 9895 1 14 . 1 1 23 23 LEU H H 23 7.991 7.991 7.566 0.425 25439 9896 1 14 . 1 1 24 24 THR N N 24 119.365 119.365 115.479 3.886 25439 9897 1 14 . 1 1 24 24 THR HA H 24 4.095 4.095 3.941 0.154 25439 9898 1 14 . 1 1 24 24 THR CA C 24 66.834 66.834 66.206 0.628 25439 9899 1 14 . 1 1 24 24 THR CB C 24 68.614 68.614 67.936 0.678 25439 9900 1 14 . 1 1 24 24 THR H H 24 9.175 9.175 7.528 1.647 25439 9901 1 14 . 1 1 25 25 ASP N N 25 122.865 122.865 121.750 1.115 25439 9902 1 14 . 1 1 25 25 ASP HA H 25 4.483 4.483 4.322 0.161 25439 9903 1 14 . 1 1 25 25 ASP CA C 25 58.158 58.158 57.300 0.858 25439 9904 1 14 . 1 1 25 25 ASP CB C 25 40.329 40.329 40.720 -0.391 25439 9905 1 14 . 1 1 25 25 ASP H H 25 7.714 7.714 7.672 0.042 25439 9906 1 14 . 1 1 26 26 PHE N N 26 116.182 116.182 118.259 -2.077 25439 9907 1 14 . 1 1 26 26 PHE HA H 26 4.457 4.457 4.140 0.317 25439 9908 1 14 . 1 1 26 26 PHE CA C 26 62.531 62.531 61.875 0.656 25439 9909 1 14 . 1 1 26 26 PHE CB C 26 39.468 39.468 38.922 0.545 25439 9910 1 14 . 1 1 26 26 PHE H H 26 7.816 7.816 7.840 -0.024 25439 9911 1 14 . 1 1 27 27 GLU N N 27 120.107 120.107 119.220 0.887 25439 9912 1 14 . 1 1 27 27 GLU HA H 27 4.113 4.113 4.047 0.066 25439 9913 1 14 . 1 1 27 27 GLU CA C 27 59.852 59.852 60.095 -0.243 25439 9914 1 14 . 1 1 27 27 GLU CB C 27 29.692 29.692 29.056 0.635 25439 9915 1 14 . 1 1 27 27 GLU H H 27 8.068 8.068 7.952 0.116 25439 9916 1 14 . 1 1 28 28 ILE N N 28 121.494 121.494 119.185 2.309 25439 9917 1 14 . 1 1 28 28 ILE HA H 28 3.718 3.718 3.768 -0.050 25439 9918 1 14 . 1 1 28 28 ILE CA C 28 65.002 65.002 65.294 -0.292 25439 9919 1 14 . 1 1 28 28 ILE CB C 28 38.023 38.023 37.859 0.164 25439 9920 1 14 . 1 1 28 28 ILE H H 28 8.531 8.531 7.341 1.190 25439 9921 1 14 . 1 1 29 29 GLN N N 29 118.941 118.941 119.696 -0.755 25439 9922 1 14 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.009 0.171 25439 9923 1 14 . 1 1 29 29 GLN CA C 29 59.507 59.507 58.969 0.538 25439 9924 1 14 . 1 1 29 29 GLN CB C 29 29.783 29.783 28.663 1.120 25439 9925 1 14 . 1 1 29 29 GLN H H 29 8.117 8.117 7.636 0.481 25439 9926 1 14 . 1 1 30 30 LEU N N 30 121.724 121.724 121.094 0.630 25439 9927 1 14 . 1 1 30 30 LEU HA H 30 4.032 4.032 3.983 0.049 25439 9928 1 14 . 1 1 30 30 LEU CA C 30 58.333 58.333 58.336 -0.003 25439 9929 1 14 . 1 1 30 30 LEU CB C 30 42.339 42.339 41.944 0.395 25439 9930 1 14 . 1 1 30 30 LEU H H 30 8.677 8.677 8.778 -0.101 25439 9931 1 14 . 1 1 31 31 ARG N N 31 120.629 120.629 119.135 1.494 25439 9932 1 14 . 1 1 31 31 ARG HA H 31 4.105 4.105 3.887 0.218 25439 9933 1 14 . 1 1 31 31 ARG CA C 31 59.340 59.340 60.376 -1.036 25439 9934 1 14 . 1 1 31 31 ARG CB C 31 30.044 30.044 29.706 0.338 25439 9935 1 14 . 1 1 31 31 ARG H H 31 8.227 8.227 8.629 -0.402 25439 9936 1 14 . 1 1 32 32 ASP N N 32 120.233 120.233 119.778 0.455 25439 9937 1 14 . 1 1 32 32 ASP HA H 32 4.484 4.484 4.393 0.091 25439 9938 1 14 . 1 1 32 32 ASP CA C 32 57.199 57.199 57.455 -0.256 25439 9939 1 14 . 1 1 32 32 ASP CB C 32 40.202 40.202 40.202 0.000 25439 9940 1 14 . 1 1 32 32 ASP H H 32 8.407 8.407 7.745 0.662 25439 9941 1 14 . 1 1 33 33 ALA N N 33 121.939 121.939 122.256 -0.317 25439 9942 1 14 . 1 1 33 33 ALA HA H 33 4.321 4.321 4.107 0.214 25439 9943 1 14 . 1 1 33 33 ALA CA C 33 54.207 54.207 54.644 -0.437 25439 9944 1 14 . 1 1 33 33 ALA CB C 33 18.738 18.738 18.569 0.169 25439 9945 1 14 . 1 1 33 33 ALA H H 33 8.057 8.057 7.348 0.709 25439 9946 1 14 . 1 1 34 34 GLN N N 34 114.736 114.736 117.790 -3.054 25439 9947 1 14 . 1 1 34 34 GLN HA H 34 4.248 4.248 4.028 0.220 25439 9948 1 14 . 1 1 34 34 GLN CA C 34 56.567 56.567 58.792 -2.225 25439 9949 1 14 . 1 1 34 34 GLN CB C 34 29.743 29.743 28.509 1.234 25439 9950 1 14 . 1 1 34 34 GLN H H 34 7.746 7.746 8.561 -0.815 25439 9951 1 14 . 1 1 35 35 LYS N N 35 120.534 120.534 118.801 1.733 25439 9952 1 14 . 1 1 35 35 LYS HA H 35 4.232 4.232 4.077 0.155 25439 9953 1 14 . 1 1 35 35 LYS CA C 35 57.427 57.427 59.072 -1.645 25439 9954 1 14 . 1 1 35 35 LYS CB C 35 32.887 32.887 31.974 0.913 25439 9955 1 14 . 1 1 35 35 LYS H H 35 7.570 7.570 8.202 -0.632 25439 9956 1 14 . 1 1 36 36 ASP N N 36 120.943 120.943 119.471 1.472 25439 9957 1 14 . 1 1 36 36 ASP HA H 36 4.595 4.595 4.419 0.176 25439 9958 1 14 . 1 1 36 36 ASP CA C 36 54.983 54.983 57.313 -2.330 25439 9959 1 14 . 1 1 36 36 ASP CB C 36 41.129 41.129 40.403 0.726 25439 9960 1 14 . 1 1 36 36 ASP H H 36 8.375 8.375 7.821 0.554 25439 9961 1 14 . 1 1 37 37 LYS N N 37 122.598 122.598 119.494 3.104 25439 9962 1 14 . 1 1 37 37 LYS HA H 37 4.365 4.365 4.086 0.279 25439 9963 1 14 . 1 1 37 37 LYS CA C 37 56.725 56.725 58.743 -2.018 25439 9964 1 14 . 1 1 37 37 LYS CB C 37 32.823 32.823 32.627 0.196 25439 9965 1 14 . 1 1 37 37 LYS H H 37 8.446 8.446 7.589 0.857 25439 9966 1 14 . 1 1 38 38 SER N N 38 115.849 115.849 111.542 4.307 25439 9967 1 14 . 1 1 38 38 SER HA H 38 4.423 4.423 4.639 -0.216 25439 9968 1 14 . 1 1 38 38 SER CA C 38 59.193 59.193 58.339 0.854 25439 9969 1 14 . 1 1 38 38 SER CB C 38 63.744 63.744 63.529 0.215 25439 9970 1 14 . 1 1 38 38 SER H H 38 8.392 8.392 7.681 0.711 25439 9971 1 14 . 1 1 39 39 SER N N 39 117.258 117.258 116.953 0.305 25439 9972 1 14 . 1 1 39 39 SER HA H 39 4.445 4.445 4.501 -0.056 25439 9973 1 14 . 1 1 39 39 SER CA C 39 58.933 58.933 59.019 -0.086 25439 9974 1 14 . 1 1 39 39 SER CB C 39 63.711 63.711 65.130 -1.419 25439 9975 1 14 . 1 1 39 39 SER H H 39 8.283 8.283 7.984 0.299 25439 9976 1 14 . 1 1 40 40 LYS N N 40 122.427 122.427 123.095 -0.668 25439 9977 1 14 . 1 1 40 40 LYS HA H 40 4.321 4.321 4.455 -0.134 25439 9978 1 14 . 1 1 40 40 LYS CA C 40 56.847 56.847 56.384 0.463 25439 9979 1 14 . 1 1 40 40 LYS CB C 40 32.764 32.764 33.670 -0.906 25439 9980 1 14 . 1 1 40 40 LYS H H 40 8.263 8.263 7.838 0.425 25439 9981 1 14 . 1 1 41 41 LEU N N 41 121.281 121.281 125.208 -3.927 25439 9982 1 14 . 1 1 41 41 LEU HA H 41 4.308 4.308 4.566 -0.258 25439 9983 1 14 . 1 1 41 41 LEU CA C 41 55.335 55.335 54.985 0.350 25439 9984 1 14 . 1 1 41 41 LEU CB C 41 42.212 42.212 42.356 -0.144 25439 9985 1 14 . 1 1 41 41 LEU H H 41 8.068 8.068 8.487 -0.419 25439 9986 1 14 . 1 1 42 42 ALA N N 42 123.964 123.964 123.112 0.852 25439 9987 1 14 . 1 1 42 42 ALA HA H 42 4.274 4.274 4.531 -0.257 25439 9988 1 14 . 1 1 42 42 ALA CA C 42 52.851 52.851 52.379 0.472 25439 9989 1 14 . 1 1 42 42 ALA CB C 42 19.135 19.135 19.561 -0.426 25439 9990 1 14 . 1 1 42 42 ALA H H 42 8.111 8.111 8.179 -0.068 25439 9991 1 14 . 1 1 43 43 ALA N N 43 122.146 122.146 122.260 -0.114 25439 9992 1 14 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.428 -0.131 25439 9993 1 14 . 1 1 43 43 ALA CA C 43 52.727 52.727 51.436 1.291 25439 9994 1 14 . 1 1 43 43 ALA CB C 43 19.318 19.318 20.340 -1.022 25439 9995 1 14 . 1 1 43 43 ALA H H 43 8.101 8.101 7.652 0.449 25439 9996 1 14 . 1 1 44 44 LYS N N 44 119.454 119.454 120.929 -1.475 25439 9997 1 14 . 1 1 44 44 LYS HA H 44 4.349 4.349 3.960 0.389 25439 9998 1 14 . 1 1 44 44 LYS CA C 44 56.267 56.267 57.211 -0.944 25439 9999 1 14 . 1 1 44 44 LYS CB C 44 32.825 32.825 30.959 1.866 25439 10000 1 14 . 1 1 44 44 LYS H H 44 8.198 8.198 8.668 -0.470 25439 10001 1 14 . 1 1 45 45 SER N N 45 116.660 116.660 112.015 4.645 25439 10002 1 14 . 1 1 45 45 SER HA H 45 4.368 4.368 4.337 0.031 25439 10003 1 14 . 1 1 45 45 SER CA C 45 58.477 58.477 58.298 0.179 25439 10004 1 14 . 1 1 45 45 SER CB C 45 64.063 64.063 64.634 -0.571 25439 10005 1 14 . 1 1 45 45 SER H H 45 8.251 8.251 8.343 -0.092 25439 10006 1 14 . 1 1 46 46 ASN N N 46 120.516 120.516 121.111 -0.595 25439 10007 1 14 . 1 1 46 46 ASN HA H 46 4.361 4.361 4.155 0.206 25439 10008 1 14 . 1 1 46 46 ASN CA C 46 54.657 54.657 56.449 -1.792 25439 10009 1 14 . 1 1 46 46 ASN CB C 46 37.649 37.649 37.712 -0.063 25439 10010 1 14 . 1 1 46 46 ASN H H 46 8.498 8.498 8.620 -0.122 25439 10011 1 14 . 1 1 47 47 GLU N N 47 117.964 117.964 118.284 -0.320 25439 10012 1 14 . 1 1 47 47 GLU HA H 47 3.350 3.350 3.109 0.241 25439 10013 1 14 . 1 1 47 47 GLU CA C 47 59.213 59.213 58.900 0.313 25439 10014 1 14 . 1 1 47 47 GLU CB C 47 28.998 28.998 28.853 0.145 25439 10015 1 14 . 1 1 47 47 GLU H H 47 8.016 8.016 8.112 -0.096 25439 10016 1 14 . 1 1 48 48 GLN N N 48 119.468 119.468 119.261 0.207 25439 10017 1 14 . 1 1 48 48 GLN HA H 48 4.250 4.250 4.074 0.176 25439 10018 1 14 . 1 1 48 48 GLN CA C 48 58.529 58.529 58.157 0.372 25439 10019 1 14 . 1 1 48 48 GLN CB C 48 28.902 28.902 28.021 0.881 25439 10020 1 14 . 1 1 48 48 GLN H H 48 7.892 7.892 7.317 0.575 25439 10021 1 14 . 1 1 49 49 LEU N N 49 120.145 120.145 120.052 0.093 25439 10022 1 14 . 1 1 49 49 LEU HA H 49 4.232 4.232 3.964 0.268 25439 10023 1 14 . 1 1 49 49 LEU CA C 49 57.479 57.479 57.583 -0.104 25439 10024 1 14 . 1 1 49 49 LEU CB C 49 41.391 41.391 41.669 -0.278 25439 10025 1 14 . 1 1 49 49 LEU H H 49 7.699 7.699 7.503 0.196 25439 10026 1 14 . 1 1 50 50 TRP N N 50 119.596 119.596 117.733 1.863 25439 10027 1 14 . 1 1 50 50 TRP HA H 50 4.520 4.520 4.487 0.033 25439 10028 1 14 . 1 1 50 50 TRP CA C 50 58.353 58.353 57.257 1.097 25439 10029 1 14 . 1 1 50 50 TRP CB C 50 28.880 28.880 28.082 0.798 25439 10030 1 14 . 1 1 50 50 TRP H H 50 8.385 8.385 7.655 0.730 25439 10031 1 14 . 1 1 51 51 GLU N N 51 119.362 119.362 119.629 -0.267 25439 10032 1 14 . 1 1 51 51 GLU HA H 51 4.145 4.145 4.130 0.015 25439 10033 1 14 . 1 1 51 51 GLU CA C 51 60.035 60.035 59.350 0.685 25439 10034 1 14 . 1 1 51 51 GLU CB C 51 29.675 29.675 29.327 0.348 25439 10035 1 14 . 1 1 51 51 GLU H H 51 8.223 8.223 7.835 0.388 25439 10036 1 14 . 1 1 52 52 ILE N N 52 119.018 119.018 119.432 -0.414 25439 10037 1 14 . 1 1 52 52 ILE HA H 52 3.673 3.673 3.721 -0.048 25439 10038 1 14 . 1 1 52 52 ILE CA C 52 65.511 65.511 65.230 0.281 25439 10039 1 14 . 1 1 52 52 ILE CB C 52 38.532 38.532 38.206 0.326 25439 10040 1 14 . 1 1 52 52 ILE H H 52 7.801 7.801 7.644 0.157 25439 10041 1 14 . 1 1 53 53 MET N N 53 118.133 118.133 117.095 1.038 25439 10042 1 14 . 1 1 53 53 MET HA H 53 4.452 4.452 4.065 0.387 25439 10043 1 14 . 1 1 53 53 MET CA C 53 58.216 58.216 58.674 -0.458 25439 10044 1 14 . 1 1 53 53 MET CB C 53 31.838 31.838 31.873 -0.035 25439 10045 1 14 . 1 1 53 53 MET H H 53 8.411 8.411 7.561 0.850 25439 10046 1 14 . 1 1 54 54 GLN N N 54 120.855 120.855 119.230 1.625 25439 10047 1 14 . 1 1 54 54 GLN HA H 54 4.333 4.333 4.001 0.332 25439 10048 1 14 . 1 1 54 54 GLN CA C 54 59.004 59.004 58.377 0.627 25439 10049 1 14 . 1 1 54 54 GLN CB C 54 27.824 27.824 28.919 -1.095 25439 10050 1 14 . 1 1 54 54 GLN H H 54 8.860 8.860 8.356 0.504 25439 10051 1 14 . 1 1 55 55 LEU N N 55 122.788 122.788 119.627 3.161 25439 10052 1 14 . 1 1 55 55 LEU HA H 55 4.302 4.302 4.164 0.138 25439 10053 1 14 . 1 1 55 55 LEU CA C 55 58.685 58.685 57.821 0.865 25439 10054 1 14 . 1 1 55 55 LEU CB C 55 42.695 42.695 41.885 0.810 25439 10055 1 14 . 1 1 55 55 LEU H H 55 8.298 8.298 8.039 0.259 25439 10056 1 14 . 1 1 56 56 HIS N N 56 118.426 118.426 118.139 0.287 25439 10057 1 14 . 1 1 56 56 HIS HA H 56 4.317 4.317 4.149 0.168 25439 10058 1 14 . 1 1 56 56 HIS CA C 56 60.732 60.732 60.066 0.666 25439 10059 1 14 . 1 1 56 56 HIS CB C 56 30.530 30.530 29.647 0.883 25439 10060 1 14 . 1 1 56 56 HIS H H 56 8.416 8.416 7.778 0.638 25439 10061 1 14 . 1 1 57 57 HIS N N 57 121.197 121.197 119.068 2.129 25439 10062 1 14 . 1 1 57 57 HIS HA H 57 4.318 4.318 4.513 -0.195 25439 10063 1 14 . 1 1 57 57 HIS CA C 57 60.739 60.739 59.013 1.726 25439 10064 1 14 . 1 1 57 57 HIS CB C 57 28.726 28.726 30.211 -1.485 25439 10065 1 14 . 1 1 57 57 HIS H H 57 8.608 8.608 8.170 0.438 25439 10066 1 14 . 1 1 58 58 GLN N N 58 118.739 118.739 118.597 0.142 25439 10067 1 14 . 1 1 58 58 GLN HA H 58 4.202 4.202 4.162 0.040 25439 10068 1 14 . 1 1 58 58 GLN CA C 58 59.507 59.507 59.545 -0.038 25439 10069 1 14 . 1 1 58 58 GLN CB C 58 29.111 29.111 28.358 0.753 25439 10070 1 14 . 1 1 58 58 GLN H H 58 9.206 9.206 8.540 0.666 25439 10071 1 14 . 1 1 59 59 ARG N N 59 122.498 122.498 119.708 2.790 25439 10072 1 14 . 1 1 59 59 ARG HA H 59 3.437 3.437 3.888 -0.451 25439 10073 1 14 . 1 1 59 59 ARG CA C 59 60.361 60.361 58.644 1.717 25439 10074 1 14 . 1 1 59 59 ARG H H 59 8.623 8.623 8.023 0.600 25439 10075 1 14 . 1 1 60 60 SER N N 60 114.930 114.930 115.366 -0.436 25439 10076 1 14 . 1 1 60 60 SER HA H 60 4.515 4.515 4.263 0.252 25439 10077 1 14 . 1 1 60 60 SER CA C 60 64.832 64.832 61.660 3.172 25439 10078 1 14 . 1 1 60 60 SER CB C 60 63.583 63.583 63.005 0.578 25439 10079 1 14 . 1 1 60 60 SER H H 60 7.993 7.993 8.318 -0.325 25439 10080 1 14 . 1 1 61 61 ARG N N 61 124.417 124.417 122.603 1.814 25439 10081 1 14 . 1 1 61 61 ARG HA H 61 4.204 4.204 4.057 0.147 25439 10082 1 14 . 1 1 61 61 ARG CA C 61 58.852 58.852 59.727 -0.875 25439 10083 1 14 . 1 1 61 61 ARG CB C 61 29.077 29.077 30.200 -1.123 25439 10084 1 14 . 1 1 61 61 ARG H H 61 9.569 9.569 8.590 0.979 25439 10085 1 14 . 1 1 62 62 TYR N N 62 124.484 124.484 121.174 3.310 25439 10086 1 14 . 1 1 62 62 TYR HA H 62 4.676 4.676 4.292 0.384 25439 10087 1 14 . 1 1 62 62 TYR CA C 62 61.006 61.006 62.255 -1.249 25439 10088 1 14 . 1 1 62 62 TYR CB C 62 38.392 38.392 38.754 -0.362 25439 10089 1 14 . 1 1 62 62 TYR H H 62 8.622 8.622 8.404 0.218 25439 10090 1 14 . 1 1 63 63 ILE N N 63 119.789 119.789 119.085 0.704 25439 10091 1 14 . 1 1 63 63 ILE HA H 63 3.492 3.492 3.756 -0.264 25439 10092 1 14 . 1 1 63 63 ILE CA C 63 65.693 65.693 65.620 0.073 25439 10093 1 14 . 1 1 63 63 ILE CB C 63 38.023 38.023 38.227 -0.204 25439 10094 1 14 . 1 1 63 63 ILE H H 63 7.588 7.588 8.553 -0.965 25439 10095 1 14 . 1 1 64 64 TYR N N 64 120.485 120.485 121.446 -0.961 25439 10096 1 14 . 1 1 64 64 TYR HA H 64 4.577 4.577 4.229 0.348 25439 10097 1 14 . 1 1 64 64 TYR CA C 64 61.759 61.759 62.701 -0.942 25439 10098 1 14 . 1 1 64 64 TYR CB C 64 39.772 39.772 38.582 1.190 25439 10099 1 14 . 1 1 64 64 TYR H H 64 9.166 9.166 9.212 -0.046 25439 10100 1 14 . 1 1 65 65 THR N N 65 117.072 117.072 117.026 0.046 25439 10101 1 14 . 1 1 65 65 THR HA H 65 3.562 3.562 4.082 -0.520 25439 10102 1 14 . 1 1 65 65 THR CA C 65 67.016 67.016 66.959 0.057 25439 10103 1 14 . 1 1 65 65 THR CB C 65 68.711 68.711 68.456 0.256 25439 10104 1 14 . 1 1 65 65 THR H H 65 8.987 8.987 8.934 0.053 25439 10105 1 14 . 1 1 66 66 LEU N N 66 122.107 122.107 120.425 1.682 25439 10106 1 14 . 1 1 66 66 LEU HA H 66 3.782 3.782 4.313 -0.531 25439 10107 1 14 . 1 1 66 66 LEU CA C 66 58.476 58.476 58.138 0.339 25439 10108 1 14 . 1 1 66 66 LEU CB C 66 43.183 43.183 40.952 2.232 25439 10109 1 14 . 1 1 66 66 LEU H H 66 8.286 8.286 7.668 0.618 25439 10110 1 14 . 1 1 67 67 TYR N N 67 115.264 115.264 119.501 -4.237 25439 10111 1 14 . 1 1 67 67 TYR HA H 67 4.344 4.344 4.080 0.264 25439 10112 1 14 . 1 1 67 67 TYR CA C 67 60.830 60.830 61.531 -0.701 25439 10113 1 14 . 1 1 67 67 TYR CB C 67 40.376 40.376 39.441 0.935 25439 10114 1 14 . 1 1 67 67 TYR H H 67 7.983 7.983 8.301 -0.318 25439 10115 1 14 . 1 1 68 68 TYR N N 68 113.945 113.945 116.856 -2.911 25439 10116 1 14 . 1 1 68 68 TYR HA H 68 3.699 3.699 4.252 -0.553 25439 10117 1 14 . 1 1 68 68 TYR CA C 68 62.030 62.030 60.489 1.540 25439 10118 1 14 . 1 1 68 68 TYR CB C 68 38.046 38.046 38.824 -0.778 25439 10119 1 14 . 1 1 68 68 TYR H H 68 8.297 8.297 8.295 0.002 25439 10120 1 14 . 1 1 69 69 LYS N N 69 114.346 114.346 118.430 -4.084 25439 10121 1 14 . 1 1 69 69 LYS HA H 69 4.564 4.564 4.585 -0.021 25439 10122 1 14 . 1 1 69 69 LYS CA C 69 56.821 56.821 56.897 -0.076 25439 10123 1 14 . 1 1 69 69 LYS CB C 69 31.980 31.980 33.676 -1.696 25439 10124 1 14 . 1 1 69 69 LYS H H 69 7.084 7.084 7.552 -0.468 25439 10125 1 14 . 1 1 70 70 ARG N N 70 114.676 114.676 118.784 -4.108 25439 10126 1 14 . 1 1 70 70 ARG HA H 70 4.251 4.251 4.061 0.190 25439 10127 1 14 . 1 1 70 70 ARG CA C 70 56.314 56.314 57.398 -1.084 25439 10128 1 14 . 1 1 70 70 ARG CB C 70 31.128 31.128 30.770 0.358 25439 10129 1 14 . 1 1 70 70 ARG H H 70 8.178 8.178 8.144 0.034 25439 10130 1 14 . 1 1 71 71 LYS N N 71 115.371 115.371 114.074 1.297 25439 10131 1 14 . 1 1 71 71 LYS HA H 71 4.036 4.036 3.773 0.263 25439 10132 1 14 . 1 1 71 71 LYS CA C 71 57.121 57.121 57.126 -0.005 25439 10133 1 14 . 1 1 71 71 LYS CB C 71 28.897 28.897 29.593 -0.696 25439 10134 1 14 . 1 1 71 71 LYS H H 71 6.843 6.843 7.848 -1.005 25439 10135 1 14 . 1 1 72 72 ALA N N 72 117.701 117.701 120.718 -3.017 25439 10136 1 14 . 1 1 72 72 ALA HA H 72 4.395 4.395 4.470 -0.075 25439 10137 1 14 . 1 1 72 72 ALA CA C 72 52.597 52.597 51.472 1.125 25439 10138 1 14 . 1 1 72 72 ALA CB C 72 21.560 21.560 20.194 1.366 25439 10139 1 14 . 1 1 72 72 ALA H H 72 8.560 8.560 7.738 0.822 25439 10140 1 14 . 1 1 73 73 ILE N N 73 107.605 107.605 116.065 -8.460 25439 10141 1 14 . 1 1 73 73 ILE CB C 73 42.724 42.724 41.750 0.974 25439 10142 1 14 . 1 1 73 73 ILE H H 73 7.074 7.074 7.550 -0.476 25439 10143 1 14 . 1 1 74 74 SER N N 74 118.425 118.425 118.585 -0.160 25439 10144 1 14 . 1 1 74 74 SER HA H 74 4.484 4.484 4.884 -0.400 25439 10145 1 14 . 1 1 74 74 SER CA C 74 57.082 57.082 56.696 0.386 25439 10146 1 14 . 1 1 74 74 SER CB C 74 65.396 65.396 65.057 0.339 25439 10147 1 14 . 1 1 74 74 SER H H 74 8.797 8.797 8.478 0.319 25439 10148 1 14 . 1 1 75 75 LYS N N 75 121.891 121.891 124.784 -2.893 25439 10149 1 14 . 1 1 75 75 LYS HA H 75 3.851 3.851 4.230 -0.379 25439 10150 1 14 . 1 1 75 75 LYS CA C 75 59.624 59.624 59.948 -0.324 25439 10151 1 14 . 1 1 75 75 LYS CB C 75 32.368 32.368 32.420 -0.052 25439 10152 1 14 . 1 1 75 75 LYS H H 75 9.024 9.024 9.140 -0.116 25439 10153 1 14 . 1 1 76 76 ASP N N 76 115.908 115.908 118.421 -2.513 25439 10154 1 14 . 1 1 76 76 ASP HA H 76 4.423 4.423 4.420 0.003 25439 10155 1 14 . 1 1 76 76 ASP CA C 76 57.362 57.362 57.800 -0.438 25439 10156 1 14 . 1 1 76 76 ASP CB C 76 40.391 40.391 40.386 0.005 25439 10157 1 14 . 1 1 76 76 ASP H H 76 8.161 8.161 8.535 -0.374 25439 10158 1 14 . 1 1 77 77 LEU N N 77 121.705 121.705 121.510 0.195 25439 10159 1 14 . 1 1 77 77 LEU HA H 77 4.180 4.180 4.107 0.073 25439 10160 1 14 . 1 1 77 77 LEU CA C 77 57.818 57.818 57.887 -0.069 25439 10161 1 14 . 1 1 77 77 LEU H H 77 8.345 8.345 7.717 0.628 25439 10162 1 14 . 1 1 78 78 TYR N N 78 121.511 121.511 119.798 1.713 25439 10163 1 14 . 1 1 78 78 TYR HA H 78 3.789 3.789 3.997 -0.208 25439 10164 1 14 . 1 1 78 78 TYR CA C 78 62.857 62.857 60.483 2.374 25439 10165 1 14 . 1 1 78 78 TYR CB C 78 38.369 38.369 37.748 0.621 25439 10166 1 14 . 1 1 78 78 TYR H H 78 8.598 8.598 8.667 -0.069 25439 10167 1 14 . 1 1 79 79 ASP N N 79 117.189 117.189 119.662 -2.473 25439 10168 1 14 . 1 1 79 79 ASP HA H 79 4.066 4.066 4.012 0.054 25439 10169 1 14 . 1 1 79 79 ASP CA C 79 57.219 57.219 56.989 0.230 25439 10170 1 14 . 1 1 79 79 ASP CB C 79 40.003 40.003 40.529 -0.526 25439 10171 1 14 . 1 1 79 79 ASP H H 79 9.106 9.106 8.561 0.545 25439 10172 1 14 . 1 1 80 80 TRP N N 80 123.400 123.400 121.896 1.504 25439 10173 1 14 . 1 1 80 80 TRP HA H 80 4.160 4.160 4.066 0.094 25439 10174 1 14 . 1 1 80 80 TRP CA C 80 62.368 62.368 61.816 0.552 25439 10175 1 14 . 1 1 80 80 TRP CB C 80 29.969 29.969 29.426 0.543 25439 10176 1 14 . 1 1 80 80 TRP H H 80 7.931 7.931 8.522 -0.591 25439 10177 1 14 . 1 1 81 81 LEU N N 81 119.674 119.674 119.140 0.534 25439 10178 1 14 . 1 1 81 81 LEU HA H 81 3.971 3.971 2.649 1.322 25439 10179 1 14 . 1 1 81 81 LEU CA C 81 58.294 58.294 57.812 0.482 25439 10180 1 14 . 1 1 81 81 LEU CB C 81 41.818 41.818 41.588 0.230 25439 10181 1 14 . 1 1 81 81 LEU H H 81 8.814 8.814 8.036 0.778 25439 10182 1 14 . 1 1 82 82 ILE N N 82 118.746 118.746 118.745 0.001 25439 10183 1 14 . 1 1 82 82 ILE HA H 82 3.861 3.861 3.817 0.044 25439 10184 1 14 . 1 1 82 82 ILE CA C 82 62.734 62.734 64.910 -2.176 25439 10185 1 14 . 1 1 82 82 ILE CB C 82 36.236 36.236 37.686 -1.450 25439 10186 1 14 . 1 1 82 82 ILE H H 82 7.886 7.886 7.600 0.286 25439 10187 1 14 . 1 1 83 83 LYS N N 83 124.819 124.819 118.927 5.892 25439 10188 1 14 . 1 1 83 83 LYS HA H 83 3.911 3.911 4.044 -0.133 25439 10189 1 14 . 1 1 83 83 LYS CA C 83 59.643 59.643 58.040 1.603 25439 10190 1 14 . 1 1 83 83 LYS CB C 83 32.027 32.027 32.636 -0.609 25439 10191 1 14 . 1 1 83 83 LYS H H 83 8.224 8.224 7.963 0.261 25439 10192 1 14 . 1 1 84 84 GLU N N 84 115.404 115.404 117.917 -2.513 25439 10193 1 14 . 1 1 84 84 GLU HA H 84 3.841 3.841 4.219 -0.378 25439 10194 1 14 . 1 1 84 84 GLU CA C 84 55.582 55.582 55.107 0.475 25439 10195 1 14 . 1 1 84 84 GLU CB C 84 29.459 29.459 28.843 0.616 25439 10196 1 14 . 1 1 84 84 GLU H H 84 8.138 8.138 7.244 0.894 25439 10197 1 14 . 1 1 85 85 LYS N N 85 111.563 111.563 118.156 -6.593 25439 10198 1 14 . 1 1 85 85 LYS HA H 85 3.820 3.820 3.988 -0.168 25439 10199 1 14 . 1 1 85 85 LYS CA C 85 57.890 57.890 57.479 0.411 25439 10200 1 14 . 1 1 85 85 LYS CB C 85 28.005 28.005 30.206 -2.201 25439 10201 1 14 . 1 1 85 85 LYS H H 85 7.719 7.719 7.743 -0.024 25439 10202 1 14 . 1 1 86 86 TYR N N 86 116.916 116.916 119.220 -2.304 25439 10203 1 14 . 1 1 86 86 TYR HA H 86 4.137 4.137 4.459 -0.322 25439 10204 1 14 . 1 1 86 86 TYR CA C 86 61.228 61.228 58.869 2.359 25439 10205 1 14 . 1 1 86 86 TYR CB C 86 39.535 39.535 39.960 -0.425 25439 10206 1 14 . 1 1 86 86 TYR H H 86 8.521 8.521 7.906 0.615 25439 10207 1 14 . 1 1 87 87 ALA N N 87 113.715 113.715 118.322 -4.607 25439 10208 1 14 . 1 1 87 87 ALA HA H 87 4.738 4.738 4.385 0.353 25439 10209 1 14 . 1 1 87 87 ALA CA C 87 49.121 49.121 50.467 -1.346 25439 10210 1 14 . 1 1 87 87 ALA CB C 87 23.295 23.295 22.081 1.214 25439 10211 1 14 . 1 1 87 87 ALA H H 87 6.959 6.959 7.793 -0.834 25439 10212 1 14 . 1 1 88 88 ASP N N 88 119.344 119.344 120.327 -0.983 25439 10213 1 14 . 1 1 88 88 ASP HA H 88 4.544 4.544 4.932 -0.388 25439 10214 1 14 . 1 1 88 88 ASP CA C 88 52.714 52.714 52.843 -0.128 25439 10215 1 14 . 1 1 88 88 ASP CB C 88 41.845 41.845 42.717 -0.872 25439 10216 1 14 . 1 1 88 88 ASP H H 88 7.870 7.870 8.710 -0.840 25439 10217 1 14 . 1 1 89 89 LYS N N 89 125.312 125.312 126.466 -1.154 25439 10218 1 14 . 1 1 89 89 LYS HA H 89 3.834 3.834 4.086 -0.252 25439 10219 1 14 . 1 1 89 89 LYS CA C 89 59.409 59.409 59.765 -0.356 25439 10220 1 14 . 1 1 89 89 LYS CB C 89 32.848 32.848 32.480 0.368 25439 10221 1 14 . 1 1 89 89 LYS H H 89 8.467 8.467 8.777 -0.310 25439 10222 1 14 . 1 1 90 90 LEU N N 90 119.899 119.899 120.408 -0.509 25439 10223 1 14 . 1 1 90 90 LEU HA H 90 4.023 4.023 4.038 -0.015 25439 10224 1 14 . 1 1 90 90 LEU CA C 90 57.049 57.049 58.010 -0.961 25439 10225 1 14 . 1 1 90 90 LEU CB C 90 41.099 41.099 41.703 -0.604 25439 10226 1 14 . 1 1 90 90 LEU H H 90 8.076 8.076 8.094 -0.018 25439 10227 1 14 . 1 1 91 91 LEU N N 91 123.148 123.148 120.373 2.775 25439 10228 1 14 . 1 1 91 91 LEU HA H 91 3.498 3.498 3.764 -0.266 25439 10229 1 14 . 1 1 91 91 LEU CA C 91 56.971 56.971 57.854 -0.883 25439 10230 1 14 . 1 1 91 91 LEU CB C 91 41.823 41.823 41.668 0.155 25439 10231 1 14 . 1 1 91 91 LEU H H 91 7.120 7.120 7.712 -0.592 25439 10232 1 14 . 1 1 92 92 ILE N N 92 116.780 116.780 119.050 -2.270 25439 10233 1 14 . 1 1 92 92 ILE HA H 92 3.265 3.265 3.905 -0.640 25439 10234 1 14 . 1 1 92 92 ILE CA C 92 65.178 65.178 65.754 -0.576 25439 10235 1 14 . 1 1 92 92 ILE CB C 92 38.209 38.209 37.760 0.449 25439 10236 1 14 . 1 1 92 92 ILE H H 92 7.384 7.384 7.793 -0.409 25439 10237 1 14 . 1 1 93 93 ALA N N 93 117.061 117.061 122.377 -5.316 25439 10238 1 14 . 1 1 93 93 ALA HA H 93 3.930 3.930 4.090 -0.160 25439 10239 1 14 . 1 1 93 93 ALA CA C 93 54.839 54.839 55.536 -0.697 25439 10240 1 14 . 1 1 93 93 ALA CB C 93 18.125 18.125 18.222 -0.097 25439 10241 1 14 . 1 1 93 93 ALA H H 93 7.437 7.437 8.738 -1.301 25439 10242 1 14 . 1 1 94 94 LYS N N 94 116.036 116.036 119.221 -3.185 25439 10243 1 14 . 1 1 94 94 LYS HA H 94 3.803 3.803 3.877 -0.074 25439 10244 1 14 . 1 1 94 94 LYS CA C 94 56.945 56.945 58.761 -1.815 25439 10245 1 14 . 1 1 94 94 LYS CB C 94 31.047 31.047 31.740 -0.693 25439 10246 1 14 . 1 1 94 94 LYS H H 94 7.012 7.012 7.851 -0.839 25439 10247 1 14 . 1 1 95 95 TRP N N 95 118.700 118.700 117.154 1.546 25439 10248 1 14 . 1 1 95 95 TRP HA H 95 4.814 4.814 4.521 0.293 25439 10249 1 14 . 1 1 95 95 TRP CA C 95 57.136 57.136 59.765 -2.629 25439 10250 1 14 . 1 1 95 95 TRP CB C 95 28.171 28.171 29.019 -0.848 25439 10251 1 14 . 1 1 95 95 TRP H H 95 7.611 7.611 7.630 -0.019 25439 10252 1 14 . 1 1 96 96 ARG N N 96 113.031 113.031 116.222 -3.191 25439 10253 1 14 . 1 1 96 96 ARG HA H 96 4.233 4.233 4.367 -0.134 25439 10254 1 14 . 1 1 96 96 ARG CA C 96 56.234 56.234 57.537 -1.303 25439 10255 1 14 . 1 1 96 96 ARG CB C 96 30.245 30.245 30.684 -0.439 25439 10256 1 14 . 1 1 96 96 ARG H H 96 7.066 7.066 7.439 -0.373 25439 10257 1 14 . 1 1 97 97 LYS N N 97 123.252 123.252 119.783 3.469 25439 10258 1 14 . 1 1 97 97 LYS HA H 97 4.634 4.634 4.254 0.380 25439 10259 1 14 . 1 1 97 97 LYS CA C 97 54.937 54.937 57.040 -2.103 25439 10260 1 14 . 1 1 97 97 LYS CB C 97 34.166 34.166 32.865 1.300 25439 10261 1 14 . 1 1 97 97 LYS H H 97 8.467 8.467 8.047 0.420 25439 10262 1 14 . 1 1 98 98 THR N N 98 119.993 119.993 114.230 5.763 25439 10263 1 14 . 1 1 98 98 THR HA H 98 4.224 4.224 4.456 -0.232 25439 10264 1 14 . 1 1 98 98 THR CA C 98 64.670 64.670 61.829 2.841 25439 10265 1 14 . 1 1 98 98 THR CB C 98 69.200 69.200 69.592 -0.392 25439 10266 1 14 . 1 1 98 98 THR H H 98 8.329 8.329 8.107 0.222 25439 10267 1 14 . 1 1 99 99 GLY N N 99 116.645 116.645 112.959 3.686 25439 10268 1 14 . 1 1 99 99 GLY CA C 99 45.047 45.047 45.103 -0.056 25439 10269 1 14 . 1 1 99 99 GLY H H 99 9.273 9.273 8.642 0.631 25439 10270 1 14 . 1 1 100 100 TYR N N 100 120.784 120.784 122.529 -1.745 25439 10271 1 14 . 1 1 100 100 TYR HA H 100 4.704 4.704 4.627 0.077 25439 10272 1 14 . 1 1 100 100 TYR CA C 100 57.697 57.697 55.602 2.095 25439 10273 1 14 . 1 1 100 100 TYR CB C 100 39.413 39.413 35.859 3.554 25439 10274 1 14 . 1 1 100 100 TYR H H 100 8.457 8.457 8.109 0.348 25439 10275 1 14 . 1 1 101 101 GLU N N 101 119.482 119.482 120.973 -1.491 25439 10276 1 14 . 1 1 101 101 GLU HA H 101 4.601 4.601 4.229 0.372 25439 10277 1 14 . 1 1 101 101 GLU CA C 101 61.207 61.207 58.858 2.349 25439 10278 1 14 . 1 1 101 101 GLU CB C 101 29.648 29.648 30.098 -0.450 25439 10279 1 14 . 1 1 101 101 GLU H H 101 9.836 9.836 7.891 1.945 25439 10280 1 14 . 1 1 102 102 LYS N N 102 115.179 115.179 118.874 -3.695 25439 10281 1 14 . 1 1 102 102 LYS HA H 102 4.295 4.295 4.676 -0.381 25439 10282 1 14 . 1 1 102 102 LYS CA C 102 54.207 54.207 55.412 -1.205 25439 10283 1 14 . 1 1 102 102 LYS CB C 102 32.489 32.489 32.261 0.228 25439 10284 1 14 . 1 1 102 102 LYS H H 102 8.291 8.291 7.829 0.462 25439 10285 1 14 . 1 1 103 103 LEU N N 103 119.637 119.637 119.747 -0.110 25439 10286 1 14 . 1 1 103 103 LEU HA H 103 4.385 4.385 5.023 -0.638 25439 10287 1 14 . 1 1 103 103 LEU CA C 103 56.549 56.549 53.953 2.596 25439 10288 1 14 . 1 1 103 103 LEU CB C 103 43.864 43.864 44.472 -0.608 25439 10289 1 14 . 1 1 103 103 LEU H H 103 7.642 7.642 8.040 -0.398 25439 10290 1 14 . 1 1 104 104 CYS N N 104 129.651 129.651 117.323 12.328 25439 10291 1 14 . 1 1 104 104 CYS HA H 104 4.498 4.498 5.154 -0.656 25439 10292 1 14 . 1 1 104 104 CYS CA C 104 58.076 58.076 58.502 -0.425 25439 10293 1 14 . 1 1 104 104 CYS CB C 104 32.301 32.301 28.111 4.190 25439 10294 1 14 . 1 1 104 104 CYS H H 104 8.638 8.638 8.933 -0.295 25439 10295 1 14 . 1 1 105 105 CYS N N 105 120.206 120.206 118.129 2.077 25439 10296 1 14 . 1 1 105 105 CYS HA H 105 4.806 4.806 4.751 0.055 25439 10297 1 14 . 1 1 105 105 CYS CA C 105 58.271 58.271 56.957 1.314 25439 10298 1 14 . 1 1 105 105 CYS CB C 105 32.062 32.062 29.923 2.139 25439 10299 1 14 . 1 1 105 105 CYS H H 105 8.158 8.158 7.914 0.244 25439 10300 1 14 . 1 1 106 106 LEU N N 106 115.513 115.513 120.835 -5.322 25439 10301 1 14 . 1 1 106 106 LEU HA H 106 4.054 4.054 4.167 -0.113 25439 10302 1 14 . 1 1 106 106 LEU CA C 106 56.110 56.110 56.513 -0.403 25439 10303 1 14 . 1 1 106 106 LEU CB C 106 41.227 41.227 42.277 -1.050 25439 10304 1 14 . 1 1 106 106 LEU H H 106 8.466 8.466 8.120 0.346 25439 10305 1 14 . 1 1 107 107 ARG N N 107 122.711 122.711 118.624 4.087 25439 10306 1 14 . 1 1 107 107 ARG HA H 107 3.993 3.993 4.330 -0.337 25439 10307 1 14 . 1 1 107 107 ARG CA C 107 58.311 58.311 56.205 2.106 25439 10308 1 14 . 1 1 107 107 ARG CB C 107 28.965 28.965 29.411 -0.446 25439 10309 1 14 . 1 1 107 107 ARG H H 107 8.131 8.131 8.145 -0.014 25439 10310 1 14 . 1 1 108 108 CYS N N 108 119.055 119.055 118.254 0.801 25439 10311 1 14 . 1 1 108 108 CYS HA H 108 4.101 4.101 4.745 -0.644 25439 10312 1 14 . 1 1 108 108 CYS CA C 108 63.936 63.936 57.499 6.437 25439 10313 1 14 . 1 1 108 108 CYS CB C 108 30.934 30.934 27.188 3.746 25439 10314 1 14 . 1 1 108 108 CYS H H 108 8.010 8.010 7.891 0.119 25439 10315 1 14 . 1 1 109 109 ILE N N 109 107.315 107.315 113.601 -6.286 25439 10316 1 14 . 1 1 109 109 ILE HA H 109 4.684 4.684 4.464 0.220 25439 10317 1 14 . 1 1 109 109 ILE CA C 109 60.483 60.483 60.943 -0.460 25439 10318 1 14 . 1 1 109 109 ILE CB C 109 38.320 38.320 38.852 -0.532 25439 10319 1 14 . 1 1 109 109 ILE H H 109 7.105 7.105 7.503 -0.398 25439 10320 1 14 . 1 1 110 110 GLN N N 110 122.468 122.468 121.507 0.961 25439 10321 1 14 . 1 1 110 110 GLN HA H 110 4.268 4.268 4.442 -0.174 25439 10322 1 14 . 1 1 110 110 GLN CA C 110 55.981 55.981 55.748 0.232 25439 10323 1 14 . 1 1 110 110 GLN CB C 110 29.656 29.656 28.727 0.929 25439 10324 1 14 . 1 1 110 110 GLN H H 110 7.156 7.156 8.168 -1.012 25439 10325 1 14 . 1 1 111 111 LYS N N 111 124.650 124.650 125.830 -1.180 25439 10326 1 14 . 1 1 111 111 LYS HA H 111 4.246 4.246 4.393 -0.147 25439 10327 1 14 . 1 1 111 111 LYS CA C 111 56.546 56.546 56.825 -0.279 25439 10328 1 14 . 1 1 111 111 LYS CB C 111 32.846 32.846 33.279 -0.433 25439 10329 1 14 . 1 1 111 111 LYS H H 111 8.522 8.522 8.229 0.293 25439 10330 1 14 . 1 1 112 112 ASN N N 112 120.972 120.972 118.492 2.480 25439 10331 1 14 . 1 1 112 112 ASN HA H 112 4.778 4.778 4.969 -0.191 25439 10332 1 14 . 1 1 112 112 ASN CA C 112 52.902 52.902 52.767 0.135 25439 10333 1 14 . 1 1 112 112 ASN CB C 112 39.328 39.328 39.451 -0.123 25439 10334 1 14 . 1 1 112 112 ASN H H 112 8.360 8.360 8.429 -0.069 25439 10335 1 14 . 1 1 113 113 GLU N N 113 121.710 121.710 121.189 0.521 25439 10336 1 14 . 1 1 113 113 GLU HA H 113 4.248 4.248 4.567 -0.319 25439 10337 1 14 . 1 1 113 113 GLU CA C 113 58.611 58.611 56.078 2.533 25439 10338 1 14 . 1 1 113 113 GLU CB C 113 29.590 29.590 30.056 -0.466 25439 10339 1 14 . 1 1 113 113 GLU H H 113 9.023 9.023 8.461 0.562 25439 10340 1 14 . 1 1 114 114 THR N N 114 112.186 112.186 111.687 0.499 25439 10341 1 14 . 1 1 114 114 THR HA H 114 4.321 4.321 4.660 -0.339 25439 10342 1 14 . 1 1 114 114 THR CA C 114 63.161 63.161 61.696 1.465 25439 10343 1 14 . 1 1 114 114 THR CB C 114 69.481 69.481 69.144 0.337 25439 10344 1 14 . 1 1 114 114 THR H H 114 8.112 8.112 8.211 -0.099 25439 10345 1 14 . 1 1 115 115 ASN N N 115 119.112 119.112 119.559 -0.447 25439 10346 1 14 . 1 1 115 115 ASN HA H 115 4.829 4.829 4.746 0.083 25439 10347 1 14 . 1 1 115 115 ASN CA C 115 53.110 53.110 52.784 0.326 25439 10348 1 14 . 1 1 115 115 ASN CB C 115 38.659 38.659 40.355 -1.696 25439 10349 1 14 . 1 1 115 115 ASN H H 115 8.047 8.047 7.955 0.092 25439 10350 1 14 . 1 1 116 116 ASN N N 116 117.175 117.175 119.387 -2.212 25439 10351 1 14 . 1 1 116 116 ASN HA H 116 4.615 4.615 4.918 -0.303 25439 10352 1 14 . 1 1 116 116 ASN CA C 116 53.965 53.965 52.975 0.990 25439 10353 1 14 . 1 1 116 116 ASN CB C 116 38.173 38.173 37.852 0.321 25439 10354 1 14 . 1 1 116 116 ASN H H 116 8.364 8.364 8.536 -0.172 25439 10355 1 14 . 1 1 117 117 GLY N N 117 107.294 107.294 108.063 -0.769 25439 10356 1 14 . 1 1 117 117 GLY CA C 117 45.882 45.882 44.942 0.940 25439 10357 1 14 . 1 1 117 117 GLY H H 117 8.264 8.264 8.011 0.253 25439 10358 1 14 . 1 1 118 118 SER N N 118 115.475 115.475 114.133 1.342 25439 10359 1 14 . 1 1 118 118 SER HA H 118 4.586 4.586 4.589 -0.003 25439 10360 1 14 . 1 1 118 118 SER CA C 118 57.974 57.974 57.294 0.680 25439 10361 1 14 . 1 1 118 118 SER CB C 118 64.479 64.479 64.828 -0.349 25439 10362 1 14 . 1 1 118 118 SER H H 118 7.905 7.905 8.223 -0.318 25439 10363 1 14 . 1 1 119 119 THR N N 119 111.360 111.360 116.423 -5.063 25439 10364 1 14 . 1 1 119 119 THR HA H 119 4.450 4.450 4.609 -0.159 25439 10365 1 14 . 1 1 119 119 THR CA C 119 61.215 61.215 61.338 -0.123 25439 10366 1 14 . 1 1 119 119 THR CB C 119 70.569 70.569 70.392 0.177 25439 10367 1 14 . 1 1 119 119 THR H H 119 8.044 8.044 8.185 -0.141 25439 10368 1 14 . 1 1 120 120 CYS N N 120 122.708 122.708 122.708 0.000 25439 10369 1 14 . 1 1 120 120 CYS HA H 120 4.255 4.255 4.643 -0.388 25439 10370 1 14 . 1 1 120 120 CYS CA C 120 61.469 61.469 58.220 3.249 25439 10371 1 14 . 1 1 120 120 CYS CB C 120 30.892 30.892 28.861 2.031 25439 10372 1 14 . 1 1 120 120 CYS H H 120 8.045 8.045 8.515 -0.470 25439 10373 1 14 . 1 1 121 121 ILE N N 121 132.463 132.463 124.124 8.339 25439 10374 1 14 . 1 1 121 121 ILE HA H 121 4.025 4.025 3.887 0.138 25439 10375 1 14 . 1 1 121 121 ILE CA C 121 63.353 63.353 63.098 0.255 25439 10376 1 14 . 1 1 121 121 ILE CB C 121 38.222 38.222 37.772 0.450 25439 10377 1 14 . 1 1 121 121 ILE H H 121 8.237 8.237 8.386 -0.149 25439 10378 1 14 . 1 1 122 122 CYS N N 122 123.931 123.931 117.735 6.196 25439 10379 1 14 . 1 1 122 122 CYS HA H 122 4.233 4.233 3.828 0.405 25439 10380 1 14 . 1 1 122 122 CYS CA C 122 60.230 60.230 60.432 -0.202 25439 10381 1 14 . 1 1 122 122 CYS CB C 122 30.602 30.602 25.869 4.733 25439 10382 1 14 . 1 1 122 122 CYS H H 122 9.355 9.355 7.536 1.819 25439 10383 1 14 . 1 1 123 123 ARG N N 123 119.561 119.561 120.561 -1.000 25439 10384 1 14 . 1 1 123 123 ARG HA H 123 4.150 4.150 4.336 -0.186 25439 10385 1 14 . 1 1 123 123 ARG CA C 123 53.177 53.177 58.329 -5.152 25439 10386 1 14 . 1 1 123 123 ARG CB C 123 27.961 27.961 30.582 -2.621 25439 10387 1 14 . 1 1 123 123 ARG H H 123 7.677 7.677 7.835 -0.158 25439 10388 1 14 . 1 1 124 124 VAL N N 124 122.794 122.794 120.871 1.923 25439 10389 1 14 . 1 1 124 124 VAL HA H 124 4.081 4.081 4.107 -0.026 25439 10390 1 14 . 1 1 124 124 VAL CA C 124 60.647 60.647 60.075 0.572 25439 10391 1 14 . 1 1 124 124 VAL CB C 124 32.857 32.857 31.182 1.675 25439 10392 1 14 . 1 1 124 124 VAL H H 124 7.578 7.578 7.219 0.359 25439 10393 1 14 . 1 1 125 125 PRO HA H 125 4.263 4.263 4.554 -0.291 25439 10394 1 14 . 1 1 125 125 PRO CA C 125 63.268 63.268 62.549 0.719 25439 10395 1 14 . 1 1 125 125 PRO CB C 125 32.379 32.379 32.888 -0.509 25439 10396 1 14 . 1 1 126 126 ARG N N 126 128.350 128.350 118.749 9.601 25439 10397 1 14 . 1 1 126 126 ARG HA H 126 3.912 3.912 4.073 -0.161 25439 10398 1 14 . 1 1 126 126 ARG CA C 126 59.653 59.653 59.359 0.294 25439 10399 1 14 . 1 1 126 126 ARG CB C 126 29.339 29.339 29.712 -0.373 25439 10400 1 14 . 1 1 126 126 ARG H H 126 9.534 9.534 8.852 0.682 25439 10401 1 14 . 1 1 127 127 ALA N N 127 119.169 119.169 121.704 -2.535 25439 10402 1 14 . 1 1 127 127 ALA HA H 127 4.192 4.192 4.009 0.183 25439 10403 1 14 . 1 1 127 127 ALA CA C 127 55.227 55.227 55.065 0.162 25439 10404 1 14 . 1 1 127 127 ALA CB C 127 18.363 18.363 17.823 0.540 25439 10405 1 14 . 1 1 127 127 ALA H H 127 9.263 9.263 8.332 0.931 25439 10406 1 14 . 1 1 128 128 GLN N N 128 117.345 117.345 118.578 -1.233 25439 10407 1 14 . 1 1 128 128 GLN HA H 128 4.209 4.209 4.084 0.125 25439 10408 1 14 . 1 1 128 128 GLN CA C 128 58.506 58.506 58.549 -0.043 25439 10409 1 14 . 1 1 128 128 GLN CB C 128 28.220 28.220 28.244 -0.024 25439 10410 1 14 . 1 1 128 128 GLN H H 128 7.448 7.448 8.209 -0.761 25439 10411 1 14 . 1 1 129 129 LEU N N 129 120.561 120.561 120.567 -0.006 25439 10412 1 14 . 1 1 129 129 LEU HA H 129 4.088 4.088 3.963 0.125 25439 10413 1 14 . 1 1 129 129 LEU CA C 129 57.952 57.952 57.830 0.122 25439 10414 1 14 . 1 1 129 129 LEU CB C 129 41.817 41.817 41.834 -0.017 25439 10415 1 14 . 1 1 129 129 LEU H H 129 7.622 7.622 7.545 0.077 25439 10416 1 14 . 1 1 130 130 GLU N N 130 119.122 119.122 118.544 0.578 25439 10417 1 14 . 1 1 130 130 GLU HA H 130 3.956 3.956 3.934 0.022 25439 10418 1 14 . 1 1 130 130 GLU CA C 130 59.353 59.353 59.903 -0.550 25439 10419 1 14 . 1 1 130 130 GLU CB C 130 29.337 29.337 29.198 0.139 25439 10420 1 14 . 1 1 130 130 GLU H H 130 8.656 8.656 8.664 -0.008 25439 10421 1 14 . 1 1 131 131 GLU N N 131 121.469 121.469 119.203 2.266 25439 10422 1 14 . 1 1 131 131 GLU HA H 131 4.163 4.163 3.988 0.175 25439 10423 1 14 . 1 1 131 131 GLU CA C 131 59.288 59.288 59.998 -0.710 25439 10424 1 14 . 1 1 131 131 GLU CB C 131 29.422 29.422 29.517 -0.095 25439 10425 1 14 . 1 1 131 131 GLU H H 131 7.922 7.922 7.834 0.088 25439 10426 1 14 . 1 1 132 132 GLU N N 132 119.241 119.241 119.178 0.063 25439 10427 1 14 . 1 1 132 132 GLU HA H 132 3.998 3.998 4.000 -0.002 25439 10428 1 14 . 1 1 132 132 GLU CA C 132 59.327 59.327 59.359 -0.032 25439 10429 1 14 . 1 1 132 132 GLU CB C 132 29.421 29.421 29.275 0.146 25439 10430 1 14 . 1 1 132 132 GLU H H 132 8.099 8.099 7.630 0.469 25439 10431 1 14 . 1 1 133 133 ALA N N 133 121.302 121.302 121.760 -0.458 25439 10432 1 14 . 1 1 133 133 ALA HA H 133 4.053 4.053 4.056 -0.003 25439 10433 1 14 . 1 1 133 133 ALA CA C 133 54.973 54.973 55.159 -0.186 25439 10434 1 14 . 1 1 133 133 ALA CB C 133 18.154 18.154 18.287 -0.133 25439 10435 1 14 . 1 1 133 133 ALA H H 133 7.795 7.795 7.688 0.107 25439 10436 1 14 . 1 1 134 134 ARG N N 134 118.757 118.757 118.409 0.348 25439 10437 1 14 . 1 1 134 134 ARG HA H 134 4.143 4.143 4.055 0.088 25439 10438 1 14 . 1 1 134 134 ARG CA C 134 59.438 59.438 59.252 0.186 25439 10439 1 14 . 1 1 134 134 ARG CB C 134 30.148 30.148 30.228 -0.080 25439 10440 1 14 . 1 1 134 134 ARG H H 134 8.145 8.145 7.966 0.179 25439 10441 1 14 . 1 1 135 135 LYS N N 135 119.496 119.496 119.263 0.233 25439 10442 1 14 . 1 1 135 135 LYS HA H 135 4.073 4.073 4.195 -0.122 25439 10443 1 14 . 1 1 135 135 LYS CA C 135 59.327 59.327 58.614 0.713 25439 10444 1 14 . 1 1 135 135 LYS CB C 135 32.539 32.539 32.724 -0.185 25439 10445 1 14 . 1 1 135 135 LYS H H 135 8.036 8.036 7.589 0.447 25439 10446 1 14 . 1 1 136 136 LYS N N 136 116.645 116.645 118.570 -1.925 25439 10447 1 14 . 1 1 136 136 LYS HA H 136 4.362 4.362 4.406 -0.044 25439 10448 1 14 . 1 1 136 136 LYS CA C 136 56.575 56.575 55.050 1.524 25439 10449 1 14 . 1 1 136 136 LYS CB C 136 33.629 33.629 32.390 1.239 25439 10450 1 14 . 1 1 136 136 LYS H H 136 7.682 7.682 7.748 -0.066 25439 10451 1 14 . 1 1 137 137 GLY N N 137 109.349 109.349 109.229 0.120 25439 10452 1 14 . 1 1 137 137 GLY CA C 137 46.358 46.358 46.279 0.079 25439 10453 1 14 . 1 1 137 137 GLY H H 137 8.064 8.064 7.784 0.280 25439 10454 1 14 . 1 1 138 138 THR N N 138 112.870 112.870 113.749 -0.879 25439 10455 1 14 . 1 1 138 138 THR HA H 138 4.735 4.735 4.627 0.108 25439 10456 1 14 . 1 1 138 138 THR CA C 138 59.308 59.308 60.563 -1.255 25439 10457 1 14 . 1 1 138 138 THR CB C 138 70.755 70.755 70.840 -0.085 25439 10458 1 14 . 1 1 138 138 THR H H 138 8.111 8.111 8.128 -0.017 25439 10459 1 14 . 1 1 139 139 GLN N N 139 118.177 118.177 120.115 -1.938 25439 10460 1 14 . 1 1 139 139 GLN HA H 139 4.609 4.609 4.651 -0.042 25439 10461 1 14 . 1 1 139 139 GLN CA C 139 54.435 54.435 55.202 -0.767 25439 10462 1 14 . 1 1 139 139 GLN CB C 139 30.777 30.777 31.204 -0.427 25439 10463 1 14 . 1 1 139 139 GLN H H 139 8.227 8.227 8.263 -0.036 25439 10464 1 14 . 1 1 140 140 VAL N N 140 123.601 123.601 120.891 2.710 25439 10465 1 14 . 1 1 140 140 VAL HA H 140 3.790 3.790 4.521 -0.731 25439 10466 1 14 . 1 1 140 140 VAL CA C 140 63.934 63.934 61.430 2.504 25439 10467 1 14 . 1 1 140 140 VAL CB C 140 32.154 32.154 33.899 -1.745 25439 10468 1 14 . 1 1 140 140 VAL H H 140 8.839 8.839 8.502 0.337 25439 10469 1 14 . 1 1 141 141 SER HA H 141 4.524 4.524 4.700 -0.176 25439 10470 1 14 . 1 1 141 141 SER CA C 141 57.841 57.841 58.055 -0.214 25439 10471 1 14 . 1 1 141 141 SER CB C 141 64.174 64.174 63.819 0.355 25439 10472 1 14 . 1 1 142 142 PHE N N 142 123.726 123.726 126.567 -2.841 25439 10473 1 14 . 1 1 142 142 PHE HA H 142 4.458 4.458 4.885 -0.427 25439 10474 1 14 . 1 1 142 142 PHE CA C 142 58.673 58.673 57.696 0.977 25439 10475 1 14 . 1 1 142 142 PHE CB C 142 40.055 40.055 41.828 -1.773 25439 10476 1 14 . 1 1 142 142 PHE H H 142 7.534 7.534 8.343 -0.809 25439 10477 1 14 . 1 1 143 143 HIS N N 143 126.548 126.548 118.502 8.046 25439 10478 1 14 . 1 1 143 143 HIS HA H 143 4.336 4.336 4.452 -0.116 25439 10479 1 14 . 1 1 143 143 HIS CA C 143 56.837 56.837 56.209 0.628 25439 10480 1 14 . 1 1 143 143 HIS CB C 143 31.949 31.949 32.864 -0.915 25439 10481 1 14 . 1 1 143 143 HIS H H 143 8.308 8.308 7.265 1.043 25439 10482 1 14 . 1 1 144 144 GLN N N 144 115.094 115.094 115.692 -0.598 25439 10483 1 14 . 1 1 144 144 GLN HA H 144 4.433 4.433 4.637 -0.204 25439 10484 1 14 . 1 1 144 144 GLN CA C 144 54.210 54.210 53.385 0.825 25439 10485 1 14 . 1 1 144 144 GLN CB C 144 32.925 32.925 32.055 0.870 25439 10486 1 14 . 1 1 144 144 GLN H H 144 7.203 7.203 6.984 0.219 25439 10487 1 14 . 1 1 145 145 CYS N N 145 123.088 123.088 118.497 4.591 25439 10488 1 14 . 1 1 145 145 CYS HA H 145 4.961 4.961 5.023 -0.062 25439 10489 1 14 . 1 1 145 145 CYS CA C 145 57.978 57.978 56.783 1.195 25439 10490 1 14 . 1 1 145 145 CYS CB C 145 33.555 33.555 29.784 3.771 25439 10491 1 14 . 1 1 145 145 CYS H H 145 8.668 8.668 8.566 0.102 25439 10492 1 14 . 1 1 146 146 VAL N N 146 113.265 113.265 117.791 -4.526 25439 10493 1 14 . 1 1 146 146 VAL HA H 146 4.238 4.238 4.173 0.065 25439 10494 1 14 . 1 1 146 146 VAL CA C 146 64.001 64.001 65.282 -1.281 25439 10495 1 14 . 1 1 146 146 VAL CB C 146 32.157 32.157 32.115 0.042 25439 10496 1 14 . 1 1 146 146 VAL H H 146 8.198 8.198 8.233 -0.035 25439 10497 1 14 . 1 1 147 147 HIS N N 147 120.556 120.556 119.000 1.556 25439 10498 1 14 . 1 1 147 147 HIS HA H 147 4.604 4.604 4.324 0.280 25439 10499 1 14 . 1 1 147 147 HIS CA C 147 58.708 58.708 58.029 0.679 25439 10500 1 14 . 1 1 147 147 HIS CB C 147 32.204 32.204 29.286 2.918 25439 10501 1 14 . 1 1 147 147 HIS H H 147 7.151 7.151 8.221 -1.070 25439 10502 1 14 . 1 1 148 148 CYS N N 148 112.110 112.110 112.218 -0.108 25439 10503 1 14 . 1 1 148 148 CYS HA H 148 4.889 4.889 4.802 0.087 25439 10504 1 14 . 1 1 148 148 CYS CA C 148 57.952 57.952 55.499 2.453 25439 10505 1 14 . 1 1 148 148 CYS CB C 148 32.956 32.956 30.273 2.683 25439 10506 1 14 . 1 1 148 148 CYS H H 148 7.413 7.413 7.292 0.121 25439 10507 1 14 . 1 1 149 149 GLY N N 149 112.797 112.797 108.146 4.651 25439 10508 1 14 . 1 1 149 149 GLY CA C 149 45.327 45.327 44.356 0.971 25439 10509 1 14 . 1 1 149 149 GLY H H 149 6.949 6.949 8.290 -1.341 25439 10510 1 14 . 1 1 150 150 CYS N N 150 127.277 127.277 121.014 6.263 25439 10511 1 14 . 1 1 150 150 CYS HA H 150 3.932 3.932 4.541 -0.609 25439 10512 1 14 . 1 1 150 150 CYS CA C 150 61.362 61.362 57.232 4.130 25439 10513 1 14 . 1 1 150 150 CYS CB C 150 30.632 30.632 29.828 0.804 25439 10514 1 14 . 1 1 150 150 CYS H H 150 8.240 8.240 7.136 1.104 25439 10515 1 14 . 1 1 151 151 ARG N N 151 125.476 125.476 128.361 -2.885 25439 10516 1 14 . 1 1 151 151 ARG HA H 151 4.775 4.775 4.345 0.430 25439 10517 1 14 . 1 1 151 151 ARG CA C 151 56.164 56.164 55.333 0.831 25439 10518 1 14 . 1 1 151 151 ARG CB C 151 30.354 30.354 29.270 1.084 25439 10519 1 14 . 1 1 151 151 ARG H H 151 8.492 8.492 8.635 -0.143 25439 10520 1 14 . 1 1 152 152 GLY N N 152 117.275 117.275 108.699 8.576 25439 10521 1 14 . 1 1 152 152 GLY CA C 152 45.523 45.523 45.439 0.084 25439 10522 1 14 . 1 1 152 152 GLY H H 152 9.812 9.812 7.691 2.121 25439 10523 1 14 . 1 1 153 153 CYS N N 153 126.187 126.187 119.051 7.136 25439 10524 1 14 . 1 1 153 153 CYS HA H 153 4.842 4.842 4.774 0.068 25439 10525 1 14 . 1 1 153 153 CYS CA C 153 57.130 57.130 55.779 1.351 25439 10526 1 14 . 1 1 153 153 CYS CB C 153 31.368 31.368 27.070 4.298 25439 10527 1 14 . 1 1 153 153 CYS H H 153 8.930 8.930 8.295 0.635 25439 10528 1 14 . 1 1 154 154 ALA N N 154 125.869 125.869 126.647 -0.778 25439 10529 1 14 . 1 1 154 154 ALA HA H 154 4.159 4.159 4.864 -0.705 25439 10530 1 14 . 1 1 154 154 ALA CA C 154 53.187 53.187 51.120 2.067 25439 10531 1 14 . 1 1 154 154 ALA CB C 154 18.937 18.937 21.639 -2.702 25439 10532 1 14 . 1 1 154 154 ALA H H 154 8.616 8.616 8.239 0.377 25439 10533 1 14 . 1 1 155 155 SER N N 155 116.724 116.724 116.994 -0.270 25439 10534 1 14 . 1 1 155 155 SER HA H 155 4.283 4.283 4.217 0.066 25439 10535 1 14 . 1 1 155 155 SER CA C 155 60.136 60.136 61.222 -1.086 25439 10536 1 14 . 1 1 155 155 SER CB C 155 63.575 63.575 63.409 0.166 25439 10537 1 14 . 1 1 155 155 SER H H 155 9.358 9.358 8.982 0.376 25439 10538 1 14 . 1 1 156 156 THR N N 156 111.893 111.893 112.933 -1.040 25439 10539 1 14 . 1 1 156 156 THR HA H 156 4.358 4.358 4.157 0.201 25439 10540 1 14 . 1 1 156 156 THR CA C 156 61.264 61.264 63.717 -2.453 25439 10541 1 14 . 1 1 156 156 THR CB C 156 69.999 69.999 69.116 0.883 25439 10542 1 14 . 1 1 156 156 THR H H 156 7.638 7.638 8.271 -0.633 25439 10543 1 15 . 1 1 0 0 GLY CA C 0 43.750 43.750 44.694 -0.944 25439 10544 1 15 . 1 1 1 1 SER N N 1 117.201 117.201 115.989 1.212 25439 10545 1 15 . 1 1 1 1 SER HA H 1 4.809 4.809 4.829 -0.020 25439 10546 1 15 . 1 1 1 1 SER CA C 1 56.525 56.525 57.081 -0.556 25439 10547 1 15 . 1 1 1 1 SER CB C 1 63.385 63.385 64.237 -0.852 25439 10548 1 15 . 1 1 1 1 SER H H 1 8.381 8.381 8.237 0.144 25439 10549 1 15 . 1 1 2 2 PRO HA H 2 4.468 4.468 4.646 -0.178 25439 10550 1 15 . 1 1 2 2 PRO CA C 2 63.292 63.292 62.795 0.496 25439 10551 1 15 . 1 1 2 2 PRO CB C 2 32.174 32.174 32.167 0.007 25439 10552 1 15 . 1 1 3 3 ARG N N 3 121.649 121.649 121.330 0.319 25439 10553 1 15 . 1 1 3 3 ARG HA H 3 4.324 4.324 4.685 -0.361 25439 10554 1 15 . 1 1 3 3 ARG CA C 3 56.226 56.226 55.624 0.602 25439 10555 1 15 . 1 1 3 3 ARG CB C 3 30.732 30.732 31.621 -0.889 25439 10556 1 15 . 1 1 3 3 ARG H H 3 8.428 8.428 8.294 0.134 25439 10557 1 15 . 1 1 4 4 ILE N N 4 122.500 122.500 123.773 -1.273 25439 10558 1 15 . 1 1 4 4 ILE HA H 4 4.181 4.181 4.269 -0.088 25439 10559 1 15 . 1 1 4 4 ILE CA C 4 60.943 60.943 61.081 -0.138 25439 10560 1 15 . 1 1 4 4 ILE CB C 4 38.751 38.751 38.206 0.545 25439 10561 1 15 . 1 1 4 4 ILE H H 4 8.165 8.165 8.463 -0.298 25439 10562 1 15 . 1 1 5 5 LYS N N 5 126.237 126.237 127.238 -1.001 25439 10563 1 15 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.639 -0.237 25439 10564 1 15 . 1 1 5 5 LYS CA C 5 56.422 56.422 55.827 0.595 25439 10565 1 15 . 1 1 5 5 LYS CB C 5 33.130 33.130 33.733 -0.603 25439 10566 1 15 . 1 1 5 5 LYS H H 5 8.500 8.500 8.468 0.032 25439 10567 1 15 . 1 1 6 6 THR N N 6 116.495 116.495 117.194 -0.699 25439 10568 1 15 . 1 1 6 6 THR HA H 6 4.323 4.323 4.554 -0.231 25439 10569 1 15 . 1 1 6 6 THR CA C 6 61.918 61.918 61.646 0.272 25439 10570 1 15 . 1 1 6 6 THR CB C 6 69.963 69.963 70.175 -0.212 25439 10571 1 15 . 1 1 6 6 THR H H 6 8.194 8.194 8.332 -0.138 25439 10572 1 15 . 1 1 7 7 ARG N N 7 124.128 124.128 122.609 1.519 25439 10573 1 15 . 1 1 7 7 ARG HA H 7 4.396 4.396 4.457 -0.061 25439 10574 1 15 . 1 1 7 7 ARG CA C 7 56.128 56.128 55.737 0.391 25439 10575 1 15 . 1 1 7 7 ARG CB C 7 30.953 30.953 31.643 -0.690 25439 10576 1 15 . 1 1 7 7 ARG H H 7 8.458 8.458 8.505 -0.047 25439 10577 1 15 . 1 1 8 8 ARG N N 8 123.384 123.384 121.857 1.527 25439 10578 1 15 . 1 1 8 8 ARG HA H 8 4.424 4.424 4.092 0.332 25439 10579 1 15 . 1 1 8 8 ARG CA C 8 56.011 56.011 56.394 -0.383 25439 10580 1 15 . 1 1 8 8 ARG CB C 8 31.058 31.058 29.903 1.155 25439 10581 1 15 . 1 1 8 8 ARG H H 8 8.526 8.526 8.581 -0.055 25439 10582 1 15 . 1 1 9 9 SER N N 9 118.446 118.446 116.570 1.876 25439 10583 1 15 . 1 1 9 9 SER HA H 9 4.473 4.473 4.615 -0.142 25439 10584 1 15 . 1 1 9 9 SER CA C 9 58.568 58.568 57.947 0.621 25439 10585 1 15 . 1 1 9 9 SER CB C 9 63.986 63.986 64.560 -0.574 25439 10586 1 15 . 1 1 9 9 SER H H 9 8.450 8.450 8.306 0.144 25439 10587 1 15 . 1 1 10 10 LYS N N 10 124.117 124.117 125.810 -1.693 25439 10588 1 15 . 1 1 10 10 LYS HA H 10 4.673 4.673 4.872 -0.199 25439 10589 1 15 . 1 1 10 10 LYS CA C 10 54.412 54.412 53.606 0.806 25439 10590 1 15 . 1 1 10 10 LYS CB C 10 32.693 32.693 33.691 -0.999 25439 10591 1 15 . 1 1 10 10 LYS H H 10 8.426 8.426 8.554 -0.128 25439 10592 1 15 . 1 1 11 11 PRO HA H 11 4.360 4.360 4.534 -0.174 25439 10593 1 15 . 1 1 11 11 PRO CA C 11 62.861 62.861 62.581 0.280 25439 10594 1 15 . 1 1 11 11 PRO CB C 11 32.106 32.106 32.672 -0.566 25439 10595 1 15 . 1 1 12 12 ALA N N 12 124.420 124.420 122.997 1.423 25439 10596 1 15 . 1 1 12 12 ALA HA H 12 2.889 2.889 3.342 -0.453 25439 10597 1 15 . 1 1 12 12 ALA CA C 12 49.735 49.735 48.875 0.860 25439 10598 1 15 . 1 1 12 12 ALA CB C 12 18.066 18.066 17.116 0.950 25439 10599 1 15 . 1 1 12 12 ALA H H 12 7.890 7.890 7.715 0.175 25439 10600 1 15 . 1 1 13 13 PRO HA H 13 4.207 4.207 4.440 -0.233 25439 10601 1 15 . 1 1 13 13 PRO CA C 13 62.111 62.111 61.864 0.247 25439 10602 1 15 . 1 1 13 13 PRO CB C 13 32.582 32.582 32.483 0.099 25439 10603 1 15 . 1 1 14 14 ASP N N 14 119.535 119.535 120.334 -0.799 25439 10604 1 15 . 1 1 14 14 ASP HA H 14 4.379 4.379 4.306 0.073 25439 10605 1 15 . 1 1 14 14 ASP CA C 14 56.427 56.427 57.279 -0.852 25439 10606 1 15 . 1 1 14 14 ASP CB C 14 41.177 41.177 40.685 0.492 25439 10607 1 15 . 1 1 14 14 ASP H H 14 8.206 8.206 8.659 -0.453 25439 10608 1 15 . 1 1 15 15 GLY N N 15 113.273 113.273 107.665 5.608 25439 10609 1 15 . 1 1 15 15 GLY CA C 15 45.146 45.146 46.709 -1.563 25439 10610 1 15 . 1 1 15 15 GLY H H 15 8.723 8.723 8.463 0.260 25439 10611 1 15 . 1 1 16 16 PHE N N 16 123.113 123.113 122.619 0.494 25439 10612 1 15 . 1 1 16 16 PHE HA H 16 4.125 4.125 4.261 -0.136 25439 10613 1 15 . 1 1 16 16 PHE CA C 16 60.715 60.715 59.569 1.145 25439 10614 1 15 . 1 1 16 16 PHE CB C 16 39.639 39.639 39.140 0.499 25439 10615 1 15 . 1 1 16 16 PHE H H 16 8.127 8.127 8.303 -0.176 25439 10616 1 15 . 1 1 17 17 GLU N N 17 115.695 115.695 119.340 -3.645 25439 10617 1 15 . 1 1 17 17 GLU HA H 17 3.768 3.768 3.838 -0.070 25439 10618 1 15 . 1 1 17 17 GLU CA C 17 59.234 59.234 59.475 -0.241 25439 10619 1 15 . 1 1 17 17 GLU CB C 17 28.495 28.495 29.379 -0.884 25439 10620 1 15 . 1 1 17 17 GLU H H 17 9.088 9.088 8.151 0.937 25439 10621 1 15 . 1 1 18 18 LYS N N 18 115.887 115.887 117.247 -1.360 25439 10622 1 15 . 1 1 18 18 LYS HA H 18 4.165 4.165 4.075 0.090 25439 10623 1 15 . 1 1 18 18 LYS CA C 18 58.249 58.249 58.885 -0.636 25439 10624 1 15 . 1 1 18 18 LYS CB C 18 32.725 32.725 32.927 -0.202 25439 10625 1 15 . 1 1 18 18 LYS H H 18 7.285 7.285 7.775 -0.490 25439 10626 1 15 . 1 1 19 19 ILE N N 19 110.277 110.277 110.532 -0.255 25439 10627 1 15 . 1 1 19 19 ILE HA H 19 4.722 4.722 4.701 0.021 25439 10628 1 15 . 1 1 19 19 ILE CA C 19 61.093 61.093 59.671 1.422 25439 10629 1 15 . 1 1 19 19 ILE CB C 19 39.139 39.139 37.895 1.244 25439 10630 1 15 . 1 1 19 19 ILE H H 19 7.031 7.031 7.502 -0.471 25439 10631 1 15 . 1 1 20 20 LYS N N 20 124.540 124.540 122.374 2.166 25439 10632 1 15 . 1 1 20 20 LYS HA H 20 3.603 3.603 3.660 -0.057 25439 10633 1 15 . 1 1 20 20 LYS CA C 20 60.917 60.917 60.251 0.666 25439 10634 1 15 . 1 1 20 20 LYS CB C 20 30.210 30.210 30.723 -0.513 25439 10635 1 15 . 1 1 20 20 LYS H H 20 7.666 7.666 7.364 0.302 25439 10636 1 15 . 1 1 21 21 PRO HA H 21 4.292 4.292 4.588 -0.296 25439 10637 1 15 . 1 1 21 21 PRO CA C 21 66.990 66.990 65.210 1.780 25439 10638 1 15 . 1 1 21 21 PRO CB C 21 30.779 30.779 31.488 -0.709 25439 10639 1 15 . 1 1 22 22 THR N N 22 114.917 114.917 115.003 -0.086 25439 10640 1 15 . 1 1 22 22 THR HA H 22 3.866 3.866 4.084 -0.218 25439 10641 1 15 . 1 1 22 22 THR CA C 22 66.575 66.575 66.532 0.043 25439 10642 1 15 . 1 1 22 22 THR CB C 22 68.731 68.731 68.195 0.535 25439 10643 1 15 . 1 1 22 22 THR H H 22 7.331 7.331 8.314 -0.983 25439 10644 1 15 . 1 1 23 23 LEU N N 23 120.152 120.152 120.234 -0.082 25439 10645 1 15 . 1 1 23 23 LEU HA H 23 4.397 4.397 4.015 0.382 25439 10646 1 15 . 1 1 23 23 LEU CA C 23 58.740 58.740 57.731 1.009 25439 10647 1 15 . 1 1 23 23 LEU CB C 23 40.489 40.489 41.813 -1.324 25439 10648 1 15 . 1 1 23 23 LEU H H 23 7.991 7.991 7.604 0.387 25439 10649 1 15 . 1 1 24 24 THR N N 24 119.365 119.365 116.325 3.040 25439 10650 1 15 . 1 1 24 24 THR HA H 24 4.095 4.095 3.886 0.208 25439 10651 1 15 . 1 1 24 24 THR CA C 24 66.834 66.834 67.090 -0.256 25439 10652 1 15 . 1 1 24 24 THR CB C 24 68.614 68.614 68.387 0.227 25439 10653 1 15 . 1 1 24 24 THR H H 24 9.175 9.175 7.540 1.635 25439 10654 1 15 . 1 1 25 25 ASP N N 25 122.865 122.865 121.443 1.422 25439 10655 1 15 . 1 1 25 25 ASP HA H 25 4.483 4.483 4.381 0.102 25439 10656 1 15 . 1 1 25 25 ASP CA C 25 58.158 58.158 57.407 0.751 25439 10657 1 15 . 1 1 25 25 ASP CB C 25 40.329 40.329 40.465 -0.136 25439 10658 1 15 . 1 1 25 25 ASP H H 25 7.714 7.714 7.762 -0.048 25439 10659 1 15 . 1 1 26 26 PHE N N 26 116.182 116.182 118.597 -2.415 25439 10660 1 15 . 1 1 26 26 PHE HA H 26 4.457 4.457 4.162 0.295 25439 10661 1 15 . 1 1 26 26 PHE CA C 26 62.531 62.531 61.790 0.741 25439 10662 1 15 . 1 1 26 26 PHE CB C 26 39.468 39.468 38.842 0.626 25439 10663 1 15 . 1 1 26 26 PHE H H 26 7.816 7.816 7.905 -0.089 25439 10664 1 15 . 1 1 27 27 GLU N N 27 120.107 120.107 119.100 1.007 25439 10665 1 15 . 1 1 27 27 GLU HA H 27 4.113 4.113 4.039 0.074 25439 10666 1 15 . 1 1 27 27 GLU CA C 27 59.852 59.852 59.936 -0.084 25439 10667 1 15 . 1 1 27 27 GLU CB C 27 29.692 29.692 29.100 0.592 25439 10668 1 15 . 1 1 27 27 GLU H H 27 8.068 8.068 7.865 0.203 25439 10669 1 15 . 1 1 28 28 ILE N N 28 121.494 121.494 119.545 1.949 25439 10670 1 15 . 1 1 28 28 ILE HA H 28 3.718 3.718 3.753 -0.035 25439 10671 1 15 . 1 1 28 28 ILE CA C 28 65.002 65.002 65.338 -0.336 25439 10672 1 15 . 1 1 28 28 ILE CB C 28 38.023 38.023 37.911 0.112 25439 10673 1 15 . 1 1 28 28 ILE H H 28 8.531 8.531 7.341 1.190 25439 10674 1 15 . 1 1 29 29 GLN N N 29 118.941 118.941 119.786 -0.845 25439 10675 1 15 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.037 0.143 25439 10676 1 15 . 1 1 29 29 GLN CA C 29 59.507 59.507 58.956 0.551 25439 10677 1 15 . 1 1 29 29 GLN CB C 29 29.783 29.783 28.502 1.282 25439 10678 1 15 . 1 1 29 29 GLN H H 29 8.117 8.117 7.548 0.569 25439 10679 1 15 . 1 1 30 30 LEU N N 30 121.724 121.724 120.966 0.758 25439 10680 1 15 . 1 1 30 30 LEU HA H 30 4.032 4.032 3.973 0.059 25439 10681 1 15 . 1 1 30 30 LEU CA C 30 58.333 58.333 58.447 -0.114 25439 10682 1 15 . 1 1 30 30 LEU CB C 30 42.339 42.339 41.941 0.398 25439 10683 1 15 . 1 1 30 30 LEU H H 30 8.677 8.677 8.726 -0.049 25439 10684 1 15 . 1 1 31 31 ARG N N 31 120.629 120.629 119.522 1.107 25439 10685 1 15 . 1 1 31 31 ARG HA H 31 4.105 4.105 3.872 0.233 25439 10686 1 15 . 1 1 31 31 ARG CA C 31 59.340 59.340 60.286 -0.946 25439 10687 1 15 . 1 1 31 31 ARG CB C 31 30.044 30.044 29.814 0.230 25439 10688 1 15 . 1 1 31 31 ARG H H 31 8.227 8.227 8.477 -0.250 25439 10689 1 15 . 1 1 32 32 ASP N N 32 120.233 120.233 119.807 0.426 25439 10690 1 15 . 1 1 32 32 ASP HA H 32 4.484 4.484 4.387 0.097 25439 10691 1 15 . 1 1 32 32 ASP CA C 32 57.199 57.199 57.740 -0.541 25439 10692 1 15 . 1 1 32 32 ASP CB C 32 40.202 40.202 40.312 -0.110 25439 10693 1 15 . 1 1 32 32 ASP H H 32 8.407 8.407 7.883 0.524 25439 10694 1 15 . 1 1 33 33 ALA N N 33 121.939 121.939 122.491 -0.552 25439 10695 1 15 . 1 1 33 33 ALA HA H 33 4.321 4.321 4.011 0.310 25439 10696 1 15 . 1 1 33 33 ALA CA C 33 54.207 54.207 55.082 -0.875 25439 10697 1 15 . 1 1 33 33 ALA CB C 33 18.738 18.738 18.402 0.336 25439 10698 1 15 . 1 1 33 33 ALA H H 33 8.057 8.057 7.507 0.550 25439 10699 1 15 . 1 1 34 34 GLN N N 34 114.736 114.736 117.361 -2.625 25439 10700 1 15 . 1 1 34 34 GLN HA H 34 4.248 4.248 4.050 0.198 25439 10701 1 15 . 1 1 34 34 GLN CA C 34 56.567 56.567 58.895 -2.328 25439 10702 1 15 . 1 1 34 34 GLN CB C 34 29.743 29.743 28.616 1.127 25439 10703 1 15 . 1 1 34 34 GLN H H 34 7.746 7.746 8.449 -0.703 25439 10704 1 15 . 1 1 35 35 LYS N N 35 120.534 120.534 118.395 2.139 25439 10705 1 15 . 1 1 35 35 LYS HA H 35 4.232 4.232 4.305 -0.073 25439 10706 1 15 . 1 1 35 35 LYS CA C 35 57.427 57.427 57.706 -0.279 25439 10707 1 15 . 1 1 35 35 LYS CB C 35 32.887 32.887 32.699 0.188 25439 10708 1 15 . 1 1 35 35 LYS H H 35 7.570 7.570 7.808 -0.238 25439 10709 1 15 . 1 1 36 36 ASP N N 36 120.943 120.943 121.187 -0.244 25439 10710 1 15 . 1 1 36 36 ASP HA H 36 4.595 4.595 4.360 0.235 25439 10711 1 15 . 1 1 36 36 ASP CA C 36 54.983 54.983 57.000 -2.017 25439 10712 1 15 . 1 1 36 36 ASP CB C 36 41.129 41.129 40.480 0.649 25439 10713 1 15 . 1 1 36 36 ASP H H 36 8.375 8.375 8.591 -0.216 25439 10714 1 15 . 1 1 37 37 LYS N N 37 122.598 122.598 117.727 4.871 25439 10715 1 15 . 1 1 37 37 LYS HA H 37 4.365 4.365 3.970 0.395 25439 10716 1 15 . 1 1 37 37 LYS CA C 37 56.725 56.725 58.064 -1.339 25439 10717 1 15 . 1 1 37 37 LYS CB C 37 32.823 32.823 33.071 -0.247 25439 10718 1 15 . 1 1 37 37 LYS H H 37 8.446 8.446 7.581 0.865 25439 10719 1 15 . 1 1 38 38 SER N N 38 115.849 115.849 111.820 4.029 25439 10720 1 15 . 1 1 38 38 SER HA H 38 4.423 4.423 4.236 0.187 25439 10721 1 15 . 1 1 38 38 SER CA C 38 59.193 59.193 59.016 0.177 25439 10722 1 15 . 1 1 38 38 SER CB C 38 63.744 63.744 63.072 0.672 25439 10723 1 15 . 1 1 38 38 SER H H 38 8.392 8.392 7.747 0.645 25439 10724 1 15 . 1 1 39 39 SER N N 39 117.258 117.258 116.538 0.720 25439 10725 1 15 . 1 1 39 39 SER HA H 39 4.445 4.445 4.496 -0.051 25439 10726 1 15 . 1 1 39 39 SER CA C 39 58.933 58.933 59.401 -0.468 25439 10727 1 15 . 1 1 39 39 SER CB C 39 63.711 63.711 63.641 0.070 25439 10728 1 15 . 1 1 39 39 SER H H 39 8.283 8.283 8.455 -0.172 25439 10729 1 15 . 1 1 40 40 LYS N N 40 122.427 122.427 122.674 -0.247 25439 10730 1 15 . 1 1 40 40 LYS HA H 40 4.321 4.321 4.418 -0.097 25439 10731 1 15 . 1 1 40 40 LYS CA C 40 56.847 56.847 55.611 1.236 25439 10732 1 15 . 1 1 40 40 LYS CB C 40 32.764 32.764 32.080 0.684 25439 10733 1 15 . 1 1 40 40 LYS H H 40 8.263 8.263 8.253 0.010 25439 10734 1 15 . 1 1 41 41 LEU N N 41 121.281 121.281 121.991 -0.710 25439 10735 1 15 . 1 1 41 41 LEU HA H 41 4.308 4.308 4.440 -0.132 25439 10736 1 15 . 1 1 41 41 LEU CA C 41 55.335 55.335 55.923 -0.588 25439 10737 1 15 . 1 1 41 41 LEU CB C 41 42.212 42.212 43.416 -1.204 25439 10738 1 15 . 1 1 41 41 LEU H H 41 8.068 8.068 8.149 -0.081 25439 10739 1 15 . 1 1 42 42 ALA N N 42 123.964 123.964 120.483 3.481 25439 10740 1 15 . 1 1 42 42 ALA HA H 42 4.274 4.274 3.884 0.390 25439 10741 1 15 . 1 1 42 42 ALA CA C 42 52.851 52.851 52.987 -0.136 25439 10742 1 15 . 1 1 42 42 ALA CB C 42 19.135 19.135 17.609 1.526 25439 10743 1 15 . 1 1 42 42 ALA H H 42 8.111 8.111 8.396 -0.285 25439 10744 1 15 . 1 1 43 43 ALA N N 43 122.146 122.146 120.761 1.385 25439 10745 1 15 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.400 -0.103 25439 10746 1 15 . 1 1 43 43 ALA CA C 43 52.727 52.727 51.539 1.188 25439 10747 1 15 . 1 1 43 43 ALA CB C 43 19.318 19.318 19.956 -0.637 25439 10748 1 15 . 1 1 43 43 ALA H H 43 8.101 8.101 7.744 0.357 25439 10749 1 15 . 1 1 44 44 LYS N N 44 119.454 119.454 122.364 -2.910 25439 10750 1 15 . 1 1 44 44 LYS HA H 44 4.349 4.349 3.948 0.401 25439 10751 1 15 . 1 1 44 44 LYS CA C 44 56.267 56.267 56.937 -0.670 25439 10752 1 15 . 1 1 44 44 LYS CB C 44 32.825 32.825 31.365 1.460 25439 10753 1 15 . 1 1 44 44 LYS H H 44 8.198 8.198 8.619 -0.421 25439 10754 1 15 . 1 1 45 45 SER N N 45 116.660 116.660 115.434 1.226 25439 10755 1 15 . 1 1 45 45 SER HA H 45 4.368 4.368 4.430 -0.062 25439 10756 1 15 . 1 1 45 45 SER CA C 45 58.477 58.477 58.740 -0.263 25439 10757 1 15 . 1 1 45 45 SER CB C 45 64.063 64.063 64.654 -0.591 25439 10758 1 15 . 1 1 45 45 SER H H 45 8.251 8.251 8.033 0.218 25439 10759 1 15 . 1 1 46 46 ASN N N 46 120.516 120.516 120.172 0.344 25439 10760 1 15 . 1 1 46 46 ASN HA H 46 4.361 4.361 4.115 0.246 25439 10761 1 15 . 1 1 46 46 ASN CA C 46 54.657 54.657 56.148 -1.491 25439 10762 1 15 . 1 1 46 46 ASN CB C 46 37.649 37.649 37.919 -0.270 25439 10763 1 15 . 1 1 46 46 ASN H H 46 8.498 8.498 8.466 0.032 25439 10764 1 15 . 1 1 47 47 GLU N N 47 117.964 117.964 118.287 -0.323 25439 10765 1 15 . 1 1 47 47 GLU HA H 47 3.350 3.350 3.344 0.006 25439 10766 1 15 . 1 1 47 47 GLU CA C 47 59.213 59.213 59.178 0.035 25439 10767 1 15 . 1 1 47 47 GLU CB C 47 28.998 28.998 29.082 -0.084 25439 10768 1 15 . 1 1 47 47 GLU H H 47 8.016 8.016 8.350 -0.334 25439 10769 1 15 . 1 1 48 48 GLN N N 48 119.468 119.468 119.213 0.255 25439 10770 1 15 . 1 1 48 48 GLN HA H 48 4.250 4.250 4.048 0.202 25439 10771 1 15 . 1 1 48 48 GLN CA C 48 58.529 58.529 58.695 -0.166 25439 10772 1 15 . 1 1 48 48 GLN CB C 48 28.902 28.902 27.909 0.993 25439 10773 1 15 . 1 1 48 48 GLN H H 48 7.892 7.892 8.108 -0.216 25439 10774 1 15 . 1 1 49 49 LEU N N 49 120.145 120.145 120.055 0.090 25439 10775 1 15 . 1 1 49 49 LEU HA H 49 4.232 4.232 4.037 0.195 25439 10776 1 15 . 1 1 49 49 LEU CA C 49 57.479 57.479 58.081 -0.603 25439 10777 1 15 . 1 1 49 49 LEU CB C 49 41.391 41.391 41.020 0.371 25439 10778 1 15 . 1 1 49 49 LEU H H 49 7.699 7.699 7.708 -0.009 25439 10779 1 15 . 1 1 50 50 TRP N N 50 119.596 119.596 118.482 1.114 25439 10780 1 15 . 1 1 50 50 TRP HA H 50 4.520 4.520 4.474 0.046 25439 10781 1 15 . 1 1 50 50 TRP CA C 50 58.353 58.353 57.191 1.162 25439 10782 1 15 . 1 1 50 50 TRP CB C 50 28.880 28.880 27.828 1.052 25439 10783 1 15 . 1 1 50 50 TRP H H 50 8.385 8.385 7.559 0.826 25439 10784 1 15 . 1 1 51 51 GLU N N 51 119.362 119.362 119.464 -0.102 25439 10785 1 15 . 1 1 51 51 GLU HA H 51 4.145 4.145 4.120 0.025 25439 10786 1 15 . 1 1 51 51 GLU CA C 51 60.035 60.035 59.308 0.727 25439 10787 1 15 . 1 1 51 51 GLU CB C 51 29.675 29.675 29.386 0.289 25439 10788 1 15 . 1 1 51 51 GLU H H 51 8.223 8.223 7.768 0.455 25439 10789 1 15 . 1 1 52 52 ILE N N 52 119.018 119.018 119.404 -0.386 25439 10790 1 15 . 1 1 52 52 ILE HA H 52 3.673 3.673 3.712 -0.039 25439 10791 1 15 . 1 1 52 52 ILE CA C 52 65.511 65.511 65.183 0.328 25439 10792 1 15 . 1 1 52 52 ILE CB C 52 38.532 38.532 38.208 0.324 25439 10793 1 15 . 1 1 52 52 ILE H H 52 7.801 7.801 7.503 0.298 25439 10794 1 15 . 1 1 53 53 MET N N 53 118.133 118.133 117.086 1.047 25439 10795 1 15 . 1 1 53 53 MET HA H 53 4.452 4.452 4.099 0.353 25439 10796 1 15 . 1 1 53 53 MET CA C 53 58.216 58.216 58.586 -0.370 25439 10797 1 15 . 1 1 53 53 MET CB C 53 31.838 31.838 31.902 -0.065 25439 10798 1 15 . 1 1 53 53 MET H H 53 8.411 8.411 7.594 0.817 25439 10799 1 15 . 1 1 54 54 GLN N N 54 120.855 120.855 119.363 1.492 25439 10800 1 15 . 1 1 54 54 GLN HA H 54 4.333 4.333 4.010 0.323 25439 10801 1 15 . 1 1 54 54 GLN CA C 54 59.004 59.004 58.322 0.682 25439 10802 1 15 . 1 1 54 54 GLN CB C 54 27.824 27.824 28.913 -1.089 25439 10803 1 15 . 1 1 54 54 GLN H H 54 8.860 8.860 8.427 0.433 25439 10804 1 15 . 1 1 55 55 LEU N N 55 122.788 122.788 119.867 2.921 25439 10805 1 15 . 1 1 55 55 LEU HA H 55 4.302 4.302 4.151 0.151 25439 10806 1 15 . 1 1 55 55 LEU CA C 55 58.685 58.685 57.966 0.719 25439 10807 1 15 . 1 1 55 55 LEU CB C 55 42.695 42.695 41.872 0.823 25439 10808 1 15 . 1 1 55 55 LEU H H 55 8.298 8.298 8.000 0.298 25439 10809 1 15 . 1 1 56 56 HIS N N 56 118.426 118.426 118.009 0.417 25439 10810 1 15 . 1 1 56 56 HIS HA H 56 4.317 4.317 4.178 0.139 25439 10811 1 15 . 1 1 56 56 HIS CA C 56 60.732 60.732 60.409 0.323 25439 10812 1 15 . 1 1 56 56 HIS CB C 56 30.530 30.530 29.761 0.769 25439 10813 1 15 . 1 1 56 56 HIS H H 56 8.416 8.416 7.798 0.618 25439 10814 1 15 . 1 1 57 57 HIS N N 57 121.197 121.197 119.424 1.773 25439 10815 1 15 . 1 1 57 57 HIS HA H 57 4.318 4.318 4.619 -0.301 25439 10816 1 15 . 1 1 57 57 HIS CA C 57 60.739 60.739 58.741 1.998 25439 10817 1 15 . 1 1 57 57 HIS CB C 57 28.726 28.726 30.221 -1.495 25439 10818 1 15 . 1 1 57 57 HIS H H 57 8.608 8.608 8.331 0.277 25439 10819 1 15 . 1 1 58 58 GLN N N 58 118.739 118.739 118.791 -0.052 25439 10820 1 15 . 1 1 58 58 GLN HA H 58 4.202 4.202 4.210 -0.008 25439 10821 1 15 . 1 1 58 58 GLN CA C 58 59.507 59.507 59.135 0.372 25439 10822 1 15 . 1 1 58 58 GLN CB C 58 29.111 29.111 28.710 0.401 25439 10823 1 15 . 1 1 58 58 GLN H H 58 9.206 9.206 8.203 1.003 25439 10824 1 15 . 1 1 59 59 ARG N N 59 122.498 122.498 120.008 2.490 25439 10825 1 15 . 1 1 59 59 ARG HA H 59 3.437 3.437 3.681 -0.244 25439 10826 1 15 . 1 1 59 59 ARG CA C 59 60.361 60.361 59.079 1.282 25439 10827 1 15 . 1 1 59 59 ARG H H 59 8.623 8.623 8.159 0.464 25439 10828 1 15 . 1 1 60 60 SER N N 60 114.930 114.930 115.560 -0.630 25439 10829 1 15 . 1 1 60 60 SER HA H 60 4.515 4.515 4.246 0.269 25439 10830 1 15 . 1 1 60 60 SER CA C 60 64.832 64.832 62.036 2.796 25439 10831 1 15 . 1 1 60 60 SER CB C 60 63.583 63.583 62.957 0.626 25439 10832 1 15 . 1 1 60 60 SER H H 60 7.993 7.993 8.552 -0.559 25439 10833 1 15 . 1 1 61 61 ARG N N 61 124.417 124.417 122.751 1.666 25439 10834 1 15 . 1 1 61 61 ARG HA H 61 4.204 4.204 4.187 0.017 25439 10835 1 15 . 1 1 61 61 ARG CA C 61 58.852 58.852 59.194 -0.341 25439 10836 1 15 . 1 1 61 61 ARG CB C 61 29.077 29.077 29.890 -0.813 25439 10837 1 15 . 1 1 61 61 ARG H H 61 9.569 9.569 8.674 0.895 25439 10838 1 15 . 1 1 62 62 TYR N N 62 124.484 124.484 120.743 3.741 25439 10839 1 15 . 1 1 62 62 TYR HA H 62 4.676 4.676 4.287 0.389 25439 10840 1 15 . 1 1 62 62 TYR CA C 62 61.006 61.006 62.020 -1.014 25439 10841 1 15 . 1 1 62 62 TYR CB C 62 38.392 38.392 38.667 -0.275 25439 10842 1 15 . 1 1 62 62 TYR H H 62 8.622 8.622 7.976 0.646 25439 10843 1 15 . 1 1 63 63 ILE N N 63 119.789 119.789 119.110 0.679 25439 10844 1 15 . 1 1 63 63 ILE HA H 63 3.492 3.492 3.793 -0.301 25439 10845 1 15 . 1 1 63 63 ILE CA C 63 65.693 65.693 65.610 0.083 25439 10846 1 15 . 1 1 63 63 ILE CB C 63 38.023 38.023 38.305 -0.282 25439 10847 1 15 . 1 1 63 63 ILE H H 63 7.588 7.588 8.087 -0.499 25439 10848 1 15 . 1 1 64 64 TYR N N 64 120.485 120.485 121.120 -0.635 25439 10849 1 15 . 1 1 64 64 TYR HA H 64 4.577 4.577 4.350 0.227 25439 10850 1 15 . 1 1 64 64 TYR CA C 64 61.759 61.759 61.942 -0.183 25439 10851 1 15 . 1 1 64 64 TYR CB C 64 39.772 39.772 38.459 1.313 25439 10852 1 15 . 1 1 64 64 TYR H H 64 9.166 9.166 9.274 -0.108 25439 10853 1 15 . 1 1 65 65 THR N N 65 117.072 117.072 116.473 0.599 25439 10854 1 15 . 1 1 65 65 THR HA H 65 3.562 3.562 4.003 -0.441 25439 10855 1 15 . 1 1 65 65 THR CA C 65 67.016 67.016 66.127 0.889 25439 10856 1 15 . 1 1 65 65 THR CB C 65 68.711 68.711 68.649 0.062 25439 10857 1 15 . 1 1 65 65 THR H H 65 8.987 8.987 8.583 0.404 25439 10858 1 15 . 1 1 66 66 LEU N N 66 122.107 122.107 121.524 0.583 25439 10859 1 15 . 1 1 66 66 LEU HA H 66 3.782 3.782 4.282 -0.500 25439 10860 1 15 . 1 1 66 66 LEU CA C 66 58.476 58.476 58.227 0.249 25439 10861 1 15 . 1 1 66 66 LEU CB C 66 43.183 43.183 40.893 2.290 25439 10862 1 15 . 1 1 66 66 LEU H H 66 8.286 8.286 7.695 0.591 25439 10863 1 15 . 1 1 67 67 TYR N N 67 115.264 115.264 119.124 -3.860 25439 10864 1 15 . 1 1 67 67 TYR HA H 67 4.344 4.344 4.084 0.260 25439 10865 1 15 . 1 1 67 67 TYR CA C 67 60.830 60.830 61.632 -0.802 25439 10866 1 15 . 1 1 67 67 TYR CB C 67 40.376 40.376 39.506 0.870 25439 10867 1 15 . 1 1 67 67 TYR H H 67 7.983 7.983 8.385 -0.402 25439 10868 1 15 . 1 1 68 68 TYR N N 68 113.945 113.945 116.394 -2.449 25439 10869 1 15 . 1 1 68 68 TYR HA H 68 3.699 3.699 4.239 -0.540 25439 10870 1 15 . 1 1 68 68 TYR CA C 68 62.030 62.030 60.305 1.725 25439 10871 1 15 . 1 1 68 68 TYR CB C 68 38.046 38.046 38.764 -0.718 25439 10872 1 15 . 1 1 68 68 TYR H H 68 8.297 8.297 7.642 0.655 25439 10873 1 15 . 1 1 69 69 LYS N N 69 114.346 114.346 118.431 -4.085 25439 10874 1 15 . 1 1 69 69 LYS HA H 69 4.564 4.564 4.351 0.213 25439 10875 1 15 . 1 1 69 69 LYS CA C 69 56.821 56.821 56.861 -0.040 25439 10876 1 15 . 1 1 69 69 LYS CB C 69 31.980 31.980 33.276 -1.296 25439 10877 1 15 . 1 1 69 69 LYS H H 69 7.084 7.084 7.455 -0.371 25439 10878 1 15 . 1 1 70 70 ARG N N 70 114.676 114.676 119.462 -4.786 25439 10879 1 15 . 1 1 70 70 ARG HA H 70 4.251 4.251 4.133 0.118 25439 10880 1 15 . 1 1 70 70 ARG CA C 70 56.314 56.314 57.067 -0.753 25439 10881 1 15 . 1 1 70 70 ARG CB C 70 31.128 31.128 30.808 0.320 25439 10882 1 15 . 1 1 70 70 ARG H H 70 8.178 8.178 8.165 0.013 25439 10883 1 15 . 1 1 71 71 LYS N N 71 115.371 115.371 115.963 -0.592 25439 10884 1 15 . 1 1 71 71 LYS HA H 71 4.036 4.036 3.798 0.238 25439 10885 1 15 . 1 1 71 71 LYS CA C 71 57.121 57.121 57.139 -0.018 25439 10886 1 15 . 1 1 71 71 LYS CB C 71 28.897 28.897 30.498 -1.601 25439 10887 1 15 . 1 1 71 71 LYS H H 71 6.843 6.843 7.828 -0.985 25439 10888 1 15 . 1 1 72 72 ALA N N 72 117.701 117.701 121.314 -3.613 25439 10889 1 15 . 1 1 72 72 ALA HA H 72 4.395 4.395 4.475 -0.080 25439 10890 1 15 . 1 1 72 72 ALA CA C 72 52.597 52.597 51.745 0.852 25439 10891 1 15 . 1 1 72 72 ALA CB C 72 21.560 21.560 19.914 1.646 25439 10892 1 15 . 1 1 72 72 ALA H H 72 8.560 8.560 7.692 0.868 25439 10893 1 15 . 1 1 73 73 ILE N N 73 107.605 107.605 116.813 -9.208 25439 10894 1 15 . 1 1 73 73 ILE CB C 73 42.724 42.724 41.658 1.066 25439 10895 1 15 . 1 1 73 73 ILE H H 73 7.074 7.074 7.479 -0.405 25439 10896 1 15 . 1 1 74 74 SER N N 74 118.425 118.425 118.494 -0.069 25439 10897 1 15 . 1 1 74 74 SER HA H 74 4.484 4.484 4.884 -0.400 25439 10898 1 15 . 1 1 74 74 SER CA C 74 57.082 57.082 57.056 0.026 25439 10899 1 15 . 1 1 74 74 SER CB C 74 65.396 65.396 64.642 0.754 25439 10900 1 15 . 1 1 74 74 SER H H 74 8.797 8.797 8.524 0.273 25439 10901 1 15 . 1 1 75 75 LYS N N 75 121.891 121.891 125.541 -3.650 25439 10902 1 15 . 1 1 75 75 LYS HA H 75 3.851 3.851 4.237 -0.386 25439 10903 1 15 . 1 1 75 75 LYS CA C 75 59.624 59.624 59.790 -0.166 25439 10904 1 15 . 1 1 75 75 LYS CB C 75 32.368 32.368 32.430 -0.062 25439 10905 1 15 . 1 1 75 75 LYS H H 75 9.024 9.024 9.107 -0.083 25439 10906 1 15 . 1 1 76 76 ASP N N 76 115.908 115.908 118.653 -2.745 25439 10907 1 15 . 1 1 76 76 ASP HA H 76 4.423 4.423 4.397 0.026 25439 10908 1 15 . 1 1 76 76 ASP CA C 76 57.362 57.362 57.543 -0.181 25439 10909 1 15 . 1 1 76 76 ASP CB C 76 40.391 40.391 40.334 0.057 25439 10910 1 15 . 1 1 76 76 ASP H H 76 8.161 8.161 8.600 -0.439 25439 10911 1 15 . 1 1 77 77 LEU N N 77 121.705 121.705 121.395 0.310 25439 10912 1 15 . 1 1 77 77 LEU HA H 77 4.180 4.180 4.129 0.051 25439 10913 1 15 . 1 1 77 77 LEU CA C 77 57.818 57.818 57.782 0.036 25439 10914 1 15 . 1 1 77 77 LEU H H 77 8.345 8.345 7.773 0.572 25439 10915 1 15 . 1 1 78 78 TYR N N 78 121.511 121.511 119.971 1.540 25439 10916 1 15 . 1 1 78 78 TYR HA H 78 3.789 3.789 4.002 -0.213 25439 10917 1 15 . 1 1 78 78 TYR CA C 78 62.857 62.857 60.723 2.134 25439 10918 1 15 . 1 1 78 78 TYR CB C 78 38.369 38.369 37.757 0.612 25439 10919 1 15 . 1 1 78 78 TYR H H 78 8.598 8.598 8.644 -0.046 25439 10920 1 15 . 1 1 79 79 ASP N N 79 117.189 117.189 119.712 -2.523 25439 10921 1 15 . 1 1 79 79 ASP HA H 79 4.066 4.066 4.018 0.048 25439 10922 1 15 . 1 1 79 79 ASP CA C 79 57.219 57.219 57.109 0.110 25439 10923 1 15 . 1 1 79 79 ASP CB C 79 40.003 40.003 40.693 -0.690 25439 10924 1 15 . 1 1 79 79 ASP H H 79 9.106 9.106 8.547 0.559 25439 10925 1 15 . 1 1 80 80 TRP N N 80 123.400 123.400 122.555 0.845 25439 10926 1 15 . 1 1 80 80 TRP HA H 80 4.160 4.160 4.119 0.041 25439 10927 1 15 . 1 1 80 80 TRP CA C 80 62.368 62.368 61.794 0.574 25439 10928 1 15 . 1 1 80 80 TRP CB C 80 29.969 29.969 29.335 0.634 25439 10929 1 15 . 1 1 80 80 TRP H H 80 7.931 7.931 8.457 -0.526 25439 10930 1 15 . 1 1 81 81 LEU N N 81 119.674 119.674 118.687 0.987 25439 10931 1 15 . 1 1 81 81 LEU HA H 81 3.971 3.971 2.599 1.372 25439 10932 1 15 . 1 1 81 81 LEU CA C 81 58.294 58.294 57.541 0.753 25439 10933 1 15 . 1 1 81 81 LEU CB C 81 41.818 41.818 41.493 0.325 25439 10934 1 15 . 1 1 81 81 LEU H H 81 8.814 8.814 8.180 0.634 25439 10935 1 15 . 1 1 82 82 ILE N N 82 118.746 118.746 119.289 -0.543 25439 10936 1 15 . 1 1 82 82 ILE HA H 82 3.861 3.861 3.893 -0.032 25439 10937 1 15 . 1 1 82 82 ILE CA C 82 62.734 62.734 64.015 -1.281 25439 10938 1 15 . 1 1 82 82 ILE CB C 82 36.236 36.236 37.999 -1.763 25439 10939 1 15 . 1 1 82 82 ILE H H 82 7.886 7.886 7.579 0.307 25439 10940 1 15 . 1 1 83 83 LYS N N 83 124.819 124.819 119.133 5.686 25439 10941 1 15 . 1 1 83 83 LYS HA H 83 3.911 3.911 4.145 -0.234 25439 10942 1 15 . 1 1 83 83 LYS CA C 83 59.643 59.643 57.588 2.055 25439 10943 1 15 . 1 1 83 83 LYS CB C 83 32.027 32.027 32.678 -0.651 25439 10944 1 15 . 1 1 83 83 LYS H H 83 8.224 8.224 7.593 0.631 25439 10945 1 15 . 1 1 84 84 GLU N N 84 115.404 115.404 118.498 -3.094 25439 10946 1 15 . 1 1 84 84 GLU HA H 84 3.841 3.841 4.331 -0.490 25439 10947 1 15 . 1 1 84 84 GLU CA C 84 55.582 55.582 54.528 1.054 25439 10948 1 15 . 1 1 84 84 GLU CB C 84 29.459 29.459 28.885 0.574 25439 10949 1 15 . 1 1 84 84 GLU H H 84 8.138 8.138 7.231 0.907 25439 10950 1 15 . 1 1 85 85 LYS N N 85 111.563 111.563 118.654 -7.091 25439 10951 1 15 . 1 1 85 85 LYS HA H 85 3.820 3.820 3.994 -0.174 25439 10952 1 15 . 1 1 85 85 LYS CA C 85 57.890 57.890 57.056 0.834 25439 10953 1 15 . 1 1 85 85 LYS CB C 85 28.005 28.005 30.820 -2.815 25439 10954 1 15 . 1 1 85 85 LYS H H 85 7.719 7.719 7.952 -0.233 25439 10955 1 15 . 1 1 86 86 TYR N N 86 116.916 116.916 118.273 -1.357 25439 10956 1 15 . 1 1 86 86 TYR HA H 86 4.137 4.137 4.380 -0.243 25439 10957 1 15 . 1 1 86 86 TYR CA C 86 61.228 61.228 58.629 2.599 25439 10958 1 15 . 1 1 86 86 TYR CB C 86 39.535 39.535 40.898 -1.363 25439 10959 1 15 . 1 1 86 86 TYR H H 86 8.521 8.521 7.822 0.699 25439 10960 1 15 . 1 1 87 87 ALA N N 87 113.715 113.715 118.584 -4.869 25439 10961 1 15 . 1 1 87 87 ALA HA H 87 4.738 4.738 4.316 0.422 25439 10962 1 15 . 1 1 87 87 ALA CA C 87 49.121 49.121 50.781 -1.660 25439 10963 1 15 . 1 1 87 87 ALA CB C 87 23.295 23.295 22.023 1.272 25439 10964 1 15 . 1 1 87 87 ALA H H 87 6.959 6.959 7.550 -0.591 25439 10965 1 15 . 1 1 88 88 ASP N N 88 119.344 119.344 119.804 -0.460 25439 10966 1 15 . 1 1 88 88 ASP HA H 88 4.544 4.544 4.947 -0.403 25439 10967 1 15 . 1 1 88 88 ASP CA C 88 52.714 52.714 52.942 -0.228 25439 10968 1 15 . 1 1 88 88 ASP CB C 88 41.845 41.845 43.303 -1.458 25439 10969 1 15 . 1 1 88 88 ASP H H 88 7.870 7.870 8.803 -0.933 25439 10970 1 15 . 1 1 89 89 LYS N N 89 125.312 125.312 126.267 -0.955 25439 10971 1 15 . 1 1 89 89 LYS HA H 89 3.834 3.834 4.079 -0.245 25439 10972 1 15 . 1 1 89 89 LYS CA C 89 59.409 59.409 59.761 -0.352 25439 10973 1 15 . 1 1 89 89 LYS CB C 89 32.848 32.848 32.556 0.292 25439 10974 1 15 . 1 1 89 89 LYS H H 89 8.467 8.467 8.781 -0.314 25439 10975 1 15 . 1 1 90 90 LEU N N 90 119.899 119.899 120.475 -0.576 25439 10976 1 15 . 1 1 90 90 LEU HA H 90 4.023 4.023 3.987 0.036 25439 10977 1 15 . 1 1 90 90 LEU CA C 90 57.049 57.049 58.043 -0.994 25439 10978 1 15 . 1 1 90 90 LEU CB C 90 41.099 41.099 41.661 -0.562 25439 10979 1 15 . 1 1 90 90 LEU H H 90 8.076 8.076 7.973 0.103 25439 10980 1 15 . 1 1 91 91 LEU N N 91 123.148 123.148 120.194 2.954 25439 10981 1 15 . 1 1 91 91 LEU HA H 91 3.498 3.498 3.747 -0.249 25439 10982 1 15 . 1 1 91 91 LEU CA C 91 56.971 56.971 57.738 -0.767 25439 10983 1 15 . 1 1 91 91 LEU CB C 91 41.823 41.823 41.637 0.186 25439 10984 1 15 . 1 1 91 91 LEU H H 91 7.120 7.120 7.577 -0.457 25439 10985 1 15 . 1 1 92 92 ILE N N 92 116.780 116.780 118.342 -1.562 25439 10986 1 15 . 1 1 92 92 ILE HA H 92 3.265 3.265 3.697 -0.432 25439 10987 1 15 . 1 1 92 92 ILE CA C 92 65.178 65.178 64.978 0.200 25439 10988 1 15 . 1 1 92 92 ILE CB C 92 38.209 38.209 37.544 0.665 25439 10989 1 15 . 1 1 92 92 ILE H H 92 7.384 7.384 7.704 -0.320 25439 10990 1 15 . 1 1 93 93 ALA N N 93 117.061 117.061 122.559 -5.498 25439 10991 1 15 . 1 1 93 93 ALA HA H 93 3.930 3.930 4.009 -0.079 25439 10992 1 15 . 1 1 93 93 ALA CA C 93 54.839 54.839 55.425 -0.586 25439 10993 1 15 . 1 1 93 93 ALA CB C 93 18.125 18.125 18.081 0.044 25439 10994 1 15 . 1 1 93 93 ALA H H 93 7.437 7.437 8.520 -1.083 25439 10995 1 15 . 1 1 94 94 LYS N N 94 116.036 116.036 118.907 -2.871 25439 10996 1 15 . 1 1 94 94 LYS HA H 94 3.803 3.803 3.719 0.084 25439 10997 1 15 . 1 1 94 94 LYS CA C 94 56.945 56.945 59.191 -2.247 25439 10998 1 15 . 1 1 94 94 LYS CB C 94 31.047 31.047 31.817 -0.769 25439 10999 1 15 . 1 1 94 94 LYS H H 94 7.012 7.012 7.429 -0.417 25439 11000 1 15 . 1 1 95 95 TRP N N 95 118.700 118.700 116.759 1.941 25439 11001 1 15 . 1 1 95 95 TRP HA H 95 4.814 4.814 4.492 0.322 25439 11002 1 15 . 1 1 95 95 TRP CA C 95 57.136 57.136 59.431 -2.295 25439 11003 1 15 . 1 1 95 95 TRP CB C 95 28.171 28.171 29.007 -0.836 25439 11004 1 15 . 1 1 95 95 TRP H H 95 7.611 7.611 7.506 0.105 25439 11005 1 15 . 1 1 96 96 ARG N N 96 113.031 113.031 116.154 -3.123 25439 11006 1 15 . 1 1 96 96 ARG HA H 96 4.233 4.233 4.285 -0.052 25439 11007 1 15 . 1 1 96 96 ARG CA C 96 56.234 56.234 57.783 -1.549 25439 11008 1 15 . 1 1 96 96 ARG CB C 96 30.245 30.245 30.560 -0.315 25439 11009 1 15 . 1 1 96 96 ARG H H 96 7.066 7.066 7.298 -0.232 25439 11010 1 15 . 1 1 97 97 LYS N N 97 123.252 123.252 119.511 3.741 25439 11011 1 15 . 1 1 97 97 LYS HA H 97 4.634 4.634 4.269 0.365 25439 11012 1 15 . 1 1 97 97 LYS CA C 97 54.937 54.937 57.066 -2.129 25439 11013 1 15 . 1 1 97 97 LYS CB C 97 34.166 34.166 32.883 1.283 25439 11014 1 15 . 1 1 97 97 LYS H H 97 8.467 8.467 8.013 0.454 25439 11015 1 15 . 1 1 98 98 THR N N 98 119.993 119.993 111.860 8.133 25439 11016 1 15 . 1 1 98 98 THR HA H 98 4.224 4.224 4.489 -0.265 25439 11017 1 15 . 1 1 98 98 THR CA C 98 64.670 64.670 61.305 3.365 25439 11018 1 15 . 1 1 98 98 THR CB C 98 69.200 69.200 70.067 -0.867 25439 11019 1 15 . 1 1 98 98 THR H H 98 8.329 8.329 8.036 0.293 25439 11020 1 15 . 1 1 99 99 GLY N N 99 116.645 116.645 111.727 4.918 25439 11021 1 15 . 1 1 99 99 GLY CA C 99 45.047 45.047 45.016 0.031 25439 11022 1 15 . 1 1 99 99 GLY H H 99 9.273 9.273 8.745 0.528 25439 11023 1 15 . 1 1 100 100 TYR N N 100 120.784 120.784 122.184 -1.400 25439 11024 1 15 . 1 1 100 100 TYR HA H 100 4.704 4.704 4.660 0.044 25439 11025 1 15 . 1 1 100 100 TYR CA C 100 57.697 57.697 56.066 1.631 25439 11026 1 15 . 1 1 100 100 TYR CB C 100 39.413 39.413 35.840 3.573 25439 11027 1 15 . 1 1 100 100 TYR H H 100 8.457 8.457 8.274 0.183 25439 11028 1 15 . 1 1 101 101 GLU N N 101 119.482 119.482 121.133 -1.651 25439 11029 1 15 . 1 1 101 101 GLU HA H 101 4.601 4.601 4.417 0.184 25439 11030 1 15 . 1 1 101 101 GLU CA C 101 61.207 61.207 58.062 3.145 25439 11031 1 15 . 1 1 101 101 GLU CB C 101 29.648 29.648 30.327 -0.679 25439 11032 1 15 . 1 1 101 101 GLU H H 101 9.836 9.836 7.897 1.939 25439 11033 1 15 . 1 1 102 102 LYS N N 102 115.179 115.179 120.006 -4.827 25439 11034 1 15 . 1 1 102 102 LYS HA H 102 4.295 4.295 4.706 -0.411 25439 11035 1 15 . 1 1 102 102 LYS CA C 102 54.207 54.207 55.428 -1.222 25439 11036 1 15 . 1 1 102 102 LYS CB C 102 32.489 32.489 32.643 -0.154 25439 11037 1 15 . 1 1 102 102 LYS H H 102 8.291 8.291 7.796 0.495 25439 11038 1 15 . 1 1 103 103 LEU N N 103 119.637 119.637 118.450 1.187 25439 11039 1 15 . 1 1 103 103 LEU HA H 103 4.385 4.385 4.946 -0.561 25439 11040 1 15 . 1 1 103 103 LEU CA C 103 56.549 56.549 54.185 2.364 25439 11041 1 15 . 1 1 103 103 LEU CB C 103 43.864 43.864 44.288 -0.424 25439 11042 1 15 . 1 1 103 103 LEU H H 103 7.642 7.642 7.858 -0.216 25439 11043 1 15 . 1 1 104 104 CYS N N 104 129.651 129.651 117.156 12.495 25439 11044 1 15 . 1 1 104 104 CYS HA H 104 4.498 4.498 5.146 -0.648 25439 11045 1 15 . 1 1 104 104 CYS CA C 104 58.076 58.076 58.487 -0.411 25439 11046 1 15 . 1 1 104 104 CYS CB C 104 32.301 32.301 28.129 4.172 25439 11047 1 15 . 1 1 104 104 CYS H H 104 8.638 8.638 8.907 -0.269 25439 11048 1 15 . 1 1 105 105 CYS N N 105 120.206 120.206 117.986 2.220 25439 11049 1 15 . 1 1 105 105 CYS HA H 105 4.806 4.806 4.724 0.082 25439 11050 1 15 . 1 1 105 105 CYS CA C 105 58.271 58.271 57.045 1.226 25439 11051 1 15 . 1 1 105 105 CYS CB C 105 32.062 32.062 29.860 2.203 25439 11052 1 15 . 1 1 105 105 CYS H H 105 8.158 8.158 7.933 0.225 25439 11053 1 15 . 1 1 106 106 LEU N N 106 115.513 115.513 120.822 -5.309 25439 11054 1 15 . 1 1 106 106 LEU HA H 106 4.054 4.054 4.186 -0.132 25439 11055 1 15 . 1 1 106 106 LEU CA C 106 56.110 56.110 56.514 -0.404 25439 11056 1 15 . 1 1 106 106 LEU CB C 106 41.227 41.227 42.238 -1.011 25439 11057 1 15 . 1 1 106 106 LEU H H 106 8.466 8.466 8.086 0.380 25439 11058 1 15 . 1 1 107 107 ARG N N 107 122.711 122.711 118.774 3.937 25439 11059 1 15 . 1 1 107 107 ARG HA H 107 3.993 3.993 4.292 -0.299 25439 11060 1 15 . 1 1 107 107 ARG CA C 107 58.311 58.311 56.067 2.244 25439 11061 1 15 . 1 1 107 107 ARG CB C 107 28.965 28.965 29.363 -0.397 25439 11062 1 15 . 1 1 107 107 ARG H H 107 8.131 8.131 8.054 0.077 25439 11063 1 15 . 1 1 108 108 CYS N N 108 119.055 119.055 119.552 -0.497 25439 11064 1 15 . 1 1 108 108 CYS HA H 108 4.101 4.101 4.739 -0.638 25439 11065 1 15 . 1 1 108 108 CYS CA C 108 63.936 63.936 57.716 6.220 25439 11066 1 15 . 1 1 108 108 CYS CB C 108 30.934 30.934 26.854 4.080 25439 11067 1 15 . 1 1 108 108 CYS H H 108 8.010 8.010 8.114 -0.104 25439 11068 1 15 . 1 1 109 109 ILE N N 109 107.315 107.315 113.770 -6.455 25439 11069 1 15 . 1 1 109 109 ILE HA H 109 4.684 4.684 4.469 0.215 25439 11070 1 15 . 1 1 109 109 ILE CA C 109 60.483 60.483 60.833 -0.350 25439 11071 1 15 . 1 1 109 109 ILE CB C 109 38.320 38.320 38.811 -0.491 25439 11072 1 15 . 1 1 109 109 ILE H H 109 7.105 7.105 7.588 -0.483 25439 11073 1 15 . 1 1 110 110 GLN N N 110 122.468 122.468 122.192 0.276 25439 11074 1 15 . 1 1 110 110 GLN HA H 110 4.268 4.268 4.211 0.057 25439 11075 1 15 . 1 1 110 110 GLN CA C 110 55.981 55.981 56.594 -0.613 25439 11076 1 15 . 1 1 110 110 GLN CB C 110 29.656 29.656 26.995 2.660 25439 11077 1 15 . 1 1 110 110 GLN H H 110 7.156 7.156 8.416 -1.260 25439 11078 1 15 . 1 1 111 111 LYS N N 111 124.650 124.650 121.578 3.072 25439 11079 1 15 . 1 1 111 111 LYS HA H 111 4.246 4.246 4.299 -0.053 25439 11080 1 15 . 1 1 111 111 LYS CA C 111 56.546 56.546 57.434 -0.888 25439 11081 1 15 . 1 1 111 111 LYS CB C 111 32.846 32.846 33.045 -0.199 25439 11082 1 15 . 1 1 111 111 LYS H H 111 8.522 8.522 8.245 0.277 25439 11083 1 15 . 1 1 112 112 ASN N N 112 120.972 120.972 117.365 3.607 25439 11084 1 15 . 1 1 112 112 ASN HA H 112 4.778 4.778 4.792 -0.014 25439 11085 1 15 . 1 1 112 112 ASN CA C 112 52.902 52.902 54.027 -1.125 25439 11086 1 15 . 1 1 112 112 ASN CB C 112 39.328 39.328 39.903 -0.575 25439 11087 1 15 . 1 1 112 112 ASN H H 112 8.360 8.360 8.455 -0.095 25439 11088 1 15 . 1 1 113 113 GLU N N 113 121.710 121.710 121.351 0.359 25439 11089 1 15 . 1 1 113 113 GLU HA H 113 4.248 4.248 4.580 -0.332 25439 11090 1 15 . 1 1 113 113 GLU CA C 113 58.611 58.611 55.995 2.616 25439 11091 1 15 . 1 1 113 113 GLU CB C 113 29.590 29.590 31.042 -1.452 25439 11092 1 15 . 1 1 113 113 GLU H H 113 9.023 9.023 8.331 0.692 25439 11093 1 15 . 1 1 114 114 THR N N 114 112.186 112.186 117.995 -5.809 25439 11094 1 15 . 1 1 114 114 THR HA H 114 4.321 4.321 4.595 -0.274 25439 11095 1 15 . 1 1 114 114 THR CA C 114 63.161 63.161 61.997 1.164 25439 11096 1 15 . 1 1 114 114 THR CB C 114 69.481 69.481 71.177 -1.696 25439 11097 1 15 . 1 1 114 114 THR H H 114 8.112 8.112 8.371 -0.260 25439 11098 1 15 . 1 1 115 115 ASN N N 115 119.112 119.112 121.041 -1.929 25439 11099 1 15 . 1 1 115 115 ASN HA H 115 4.829 4.829 4.757 0.072 25439 11100 1 15 . 1 1 115 115 ASN CA C 115 53.110 53.110 53.783 -0.673 25439 11101 1 15 . 1 1 115 115 ASN CB C 115 38.659 38.659 39.351 -0.692 25439 11102 1 15 . 1 1 115 115 ASN H H 115 8.047 8.047 8.682 -0.635 25439 11103 1 15 . 1 1 116 116 ASN N N 116 117.175 117.175 119.626 -2.451 25439 11104 1 15 . 1 1 116 116 ASN HA H 116 4.615 4.615 4.811 -0.196 25439 11105 1 15 . 1 1 116 116 ASN CA C 116 53.965 53.965 52.450 1.515 25439 11106 1 15 . 1 1 116 116 ASN CB C 116 38.173 38.173 38.670 -0.497 25439 11107 1 15 . 1 1 116 116 ASN H H 116 8.364 8.364 8.259 0.105 25439 11108 1 15 . 1 1 117 117 GLY N N 117 107.294 107.294 111.312 -4.018 25439 11109 1 15 . 1 1 117 117 GLY CA C 117 45.882 45.882 44.743 1.139 25439 11110 1 15 . 1 1 117 117 GLY H H 117 8.264 8.264 8.376 -0.112 25439 11111 1 15 . 1 1 118 118 SER N N 118 115.475 115.475 115.738 -0.263 25439 11112 1 15 . 1 1 118 118 SER HA H 118 4.586 4.586 4.580 0.006 25439 11113 1 15 . 1 1 118 118 SER CA C 118 57.974 57.974 57.482 0.492 25439 11114 1 15 . 1 1 118 118 SER CB C 118 64.479 64.479 65.332 -0.853 25439 11115 1 15 . 1 1 118 118 SER H H 118 7.905 7.905 8.166 -0.261 25439 11116 1 15 . 1 1 119 119 THR N N 119 111.360 111.360 115.869 -4.509 25439 11117 1 15 . 1 1 119 119 THR HA H 119 4.450 4.450 4.458 -0.008 25439 11118 1 15 . 1 1 119 119 THR CA C 119 61.215 61.215 61.734 -0.520 25439 11119 1 15 . 1 1 119 119 THR CB C 119 70.569 70.569 69.857 0.712 25439 11120 1 15 . 1 1 119 119 THR H H 119 8.044 8.044 8.093 -0.049 25439 11121 1 15 . 1 1 120 120 CYS N N 120 122.708 122.708 121.554 1.154 25439 11122 1 15 . 1 1 120 120 CYS HA H 120 4.255 4.255 4.686 -0.431 25439 11123 1 15 . 1 1 120 120 CYS CA C 120 61.469 61.469 57.969 3.500 25439 11124 1 15 . 1 1 120 120 CYS CB C 120 30.892 30.892 28.918 1.974 25439 11125 1 15 . 1 1 120 120 CYS H H 120 8.045 8.045 8.464 -0.419 25439 11126 1 15 . 1 1 121 121 ILE N N 121 132.463 132.463 123.984 8.479 25439 11127 1 15 . 1 1 121 121 ILE HA H 121 4.025 4.025 3.900 0.125 25439 11128 1 15 . 1 1 121 121 ILE CA C 121 63.353 63.353 62.989 0.365 25439 11129 1 15 . 1 1 121 121 ILE CB C 121 38.222 38.222 37.775 0.447 25439 11130 1 15 . 1 1 121 121 ILE H H 121 8.237 8.237 8.409 -0.172 25439 11131 1 15 . 1 1 122 122 CYS N N 122 123.931 123.931 118.165 5.766 25439 11132 1 15 . 1 1 122 122 CYS HA H 122 4.233 4.233 3.839 0.394 25439 11133 1 15 . 1 1 122 122 CYS CA C 122 60.230 60.230 60.454 -0.224 25439 11134 1 15 . 1 1 122 122 CYS CB C 122 30.602 30.602 25.781 4.821 25439 11135 1 15 . 1 1 122 122 CYS H H 122 9.355 9.355 7.508 1.847 25439 11136 1 15 . 1 1 123 123 ARG N N 123 119.561 119.561 120.593 -1.032 25439 11137 1 15 . 1 1 123 123 ARG HA H 123 4.150 4.150 4.333 -0.183 25439 11138 1 15 . 1 1 123 123 ARG CA C 123 53.177 53.177 58.100 -4.923 25439 11139 1 15 . 1 1 123 123 ARG CB C 123 27.961 27.961 30.142 -2.181 25439 11140 1 15 . 1 1 123 123 ARG H H 123 7.677 7.677 7.941 -0.264 25439 11141 1 15 . 1 1 124 124 VAL N N 124 122.794 122.794 121.346 1.448 25439 11142 1 15 . 1 1 124 124 VAL HA H 124 4.081 4.081 4.115 -0.034 25439 11143 1 15 . 1 1 124 124 VAL CA C 124 60.647 60.647 60.474 0.173 25439 11144 1 15 . 1 1 124 124 VAL CB C 124 32.857 32.857 31.158 1.699 25439 11145 1 15 . 1 1 124 124 VAL H H 124 7.578 7.578 7.306 0.272 25439 11146 1 15 . 1 1 125 125 PRO HA H 125 4.263 4.263 4.566 -0.303 25439 11147 1 15 . 1 1 125 125 PRO CA C 125 63.268 63.268 62.387 0.881 25439 11148 1 15 . 1 1 125 125 PRO CB C 125 32.379 32.379 32.848 -0.469 25439 11149 1 15 . 1 1 126 126 ARG N N 126 128.350 128.350 119.995 8.355 25439 11150 1 15 . 1 1 126 126 ARG HA H 126 3.912 3.912 4.077 -0.165 25439 11151 1 15 . 1 1 126 126 ARG CA C 126 59.653 59.653 59.054 0.599 25439 11152 1 15 . 1 1 126 126 ARG CB C 126 29.339 29.339 29.343 -0.004 25439 11153 1 15 . 1 1 126 126 ARG H H 126 9.534 9.534 8.768 0.766 25439 11154 1 15 . 1 1 127 127 ALA N N 127 119.169 119.169 119.727 -0.558 25439 11155 1 15 . 1 1 127 127 ALA HA H 127 4.192 4.192 4.123 0.069 25439 11156 1 15 . 1 1 127 127 ALA CA C 127 55.227 55.227 55.168 0.059 25439 11157 1 15 . 1 1 127 127 ALA CB C 127 18.363 18.363 18.159 0.204 25439 11158 1 15 . 1 1 127 127 ALA H H 127 9.263 9.263 8.063 1.200 25439 11159 1 15 . 1 1 128 128 GLN N N 128 117.345 117.345 118.379 -1.034 25439 11160 1 15 . 1 1 128 128 GLN HA H 128 4.209 4.209 4.054 0.155 25439 11161 1 15 . 1 1 128 128 GLN CA C 128 58.506 58.506 58.455 0.051 25439 11162 1 15 . 1 1 128 128 GLN CB C 128 28.220 28.220 28.186 0.034 25439 11163 1 15 . 1 1 128 128 GLN H H 128 7.448 7.448 8.125 -0.677 25439 11164 1 15 . 1 1 129 129 LEU N N 129 120.561 120.561 120.519 0.042 25439 11165 1 15 . 1 1 129 129 LEU HA H 129 4.088 4.088 4.242 -0.154 25439 11166 1 15 . 1 1 129 129 LEU CA C 129 57.952 57.952 57.606 0.346 25439 11167 1 15 . 1 1 129 129 LEU CB C 129 41.817 41.817 41.895 -0.078 25439 11168 1 15 . 1 1 129 129 LEU H H 129 7.622 7.622 7.572 0.050 25439 11169 1 15 . 1 1 130 130 GLU N N 130 119.122 119.122 118.738 0.384 25439 11170 1 15 . 1 1 130 130 GLU HA H 130 3.956 3.956 3.889 0.067 25439 11171 1 15 . 1 1 130 130 GLU CA C 130 59.353 59.353 59.694 -0.341 25439 11172 1 15 . 1 1 130 130 GLU CB C 130 29.337 29.337 29.362 -0.025 25439 11173 1 15 . 1 1 130 130 GLU H H 130 8.656 8.656 8.485 0.171 25439 11174 1 15 . 1 1 131 131 GLU N N 131 121.469 121.469 118.969 2.500 25439 11175 1 15 . 1 1 131 131 GLU HA H 131 4.163 4.163 4.009 0.154 25439 11176 1 15 . 1 1 131 131 GLU CA C 131 59.288 59.288 59.440 -0.152 25439 11177 1 15 . 1 1 131 131 GLU CB C 131 29.422 29.422 29.379 0.043 25439 11178 1 15 . 1 1 131 131 GLU H H 131 7.922 7.922 7.778 0.144 25439 11179 1 15 . 1 1 132 132 GLU N N 132 119.241 119.241 119.792 -0.551 25439 11180 1 15 . 1 1 132 132 GLU HA H 132 3.998 3.998 3.973 0.025 25439 11181 1 15 . 1 1 132 132 GLU CA C 132 59.327 59.327 59.205 0.122 25439 11182 1 15 . 1 1 132 132 GLU CB C 132 29.421 29.421 29.373 0.047 25439 11183 1 15 . 1 1 132 132 GLU H H 132 8.099 8.099 7.632 0.467 25439 11184 1 15 . 1 1 133 133 ALA N N 133 121.302 121.302 121.718 -0.416 25439 11185 1 15 . 1 1 133 133 ALA HA H 133 4.053 4.053 4.041 0.012 25439 11186 1 15 . 1 1 133 133 ALA CA C 133 54.973 54.973 55.146 -0.173 25439 11187 1 15 . 1 1 133 133 ALA CB C 133 18.154 18.154 18.220 -0.066 25439 11188 1 15 . 1 1 133 133 ALA H H 133 7.795 7.795 7.629 0.166 25439 11189 1 15 . 1 1 134 134 ARG N N 134 118.757 118.757 117.720 1.037 25439 11190 1 15 . 1 1 134 134 ARG HA H 134 4.143 4.143 4.012 0.131 25439 11191 1 15 . 1 1 134 134 ARG CA C 134 59.438 59.438 59.173 0.265 25439 11192 1 15 . 1 1 134 134 ARG CB C 134 30.148 30.148 30.201 -0.053 25439 11193 1 15 . 1 1 134 134 ARG H H 134 8.145 8.145 7.738 0.407 25439 11194 1 15 . 1 1 135 135 LYS N N 135 119.496 119.496 117.717 1.779 25439 11195 1 15 . 1 1 135 135 LYS HA H 135 4.073 4.073 4.220 -0.147 25439 11196 1 15 . 1 1 135 135 LYS CA C 135 59.327 59.327 58.287 1.040 25439 11197 1 15 . 1 1 135 135 LYS CB C 135 32.539 32.539 32.827 -0.288 25439 11198 1 15 . 1 1 135 135 LYS H H 135 8.036 8.036 7.574 0.462 25439 11199 1 15 . 1 1 136 136 LYS N N 136 116.645 116.645 117.352 -0.707 25439 11200 1 15 . 1 1 136 136 LYS HA H 136 4.362 4.362 4.143 0.219 25439 11201 1 15 . 1 1 136 136 LYS CA C 136 56.575 56.575 57.363 -0.788 25439 11202 1 15 . 1 1 136 136 LYS CB C 136 33.629 33.629 33.222 0.407 25439 11203 1 15 . 1 1 136 136 LYS H H 136 7.682 7.682 8.381 -0.699 25439 11204 1 15 . 1 1 137 137 GLY N N 137 109.349 109.349 107.608 1.741 25439 11205 1 15 . 1 1 137 137 GLY CA C 137 46.358 46.358 45.246 1.112 25439 11206 1 15 . 1 1 137 137 GLY H H 137 8.064 8.064 8.104 -0.040 25439 11207 1 15 . 1 1 138 138 THR N N 138 112.870 112.870 113.575 -0.705 25439 11208 1 15 . 1 1 138 138 THR HA H 138 4.735 4.735 4.591 0.144 25439 11209 1 15 . 1 1 138 138 THR CA C 138 59.308 59.308 60.903 -1.595 25439 11210 1 15 . 1 1 138 138 THR CB C 138 70.755 70.755 70.554 0.201 25439 11211 1 15 . 1 1 138 138 THR H H 138 8.111 8.111 7.935 0.176 25439 11212 1 15 . 1 1 139 139 GLN N N 139 118.177 118.177 119.388 -1.211 25439 11213 1 15 . 1 1 139 139 GLN HA H 139 4.609 4.609 4.574 0.035 25439 11214 1 15 . 1 1 139 139 GLN CA C 139 54.435 54.435 54.800 -0.365 25439 11215 1 15 . 1 1 139 139 GLN CB C 139 30.777 30.777 30.966 -0.189 25439 11216 1 15 . 1 1 139 139 GLN H H 139 8.227 8.227 8.395 -0.168 25439 11217 1 15 . 1 1 140 140 VAL N N 140 123.601 123.601 120.718 2.883 25439 11218 1 15 . 1 1 140 140 VAL HA H 140 3.790 3.790 4.505 -0.715 25439 11219 1 15 . 1 1 140 140 VAL CA C 140 63.934 63.934 61.110 2.824 25439 11220 1 15 . 1 1 140 140 VAL CB C 140 32.154 32.154 33.748 -1.594 25439 11221 1 15 . 1 1 140 140 VAL H H 140 8.839 8.839 8.277 0.562 25439 11222 1 15 . 1 1 141 141 SER HA H 141 4.524 4.524 4.566 -0.042 25439 11223 1 15 . 1 1 141 141 SER CA C 141 57.841 57.841 58.069 -0.228 25439 11224 1 15 . 1 1 141 141 SER CB C 141 64.174 64.174 63.535 0.639 25439 11225 1 15 . 1 1 142 142 PHE N N 142 123.726 123.726 126.345 -2.619 25439 11226 1 15 . 1 1 142 142 PHE HA H 142 4.458 4.458 4.706 -0.248 25439 11227 1 15 . 1 1 142 142 PHE CA C 142 58.673 58.673 57.749 0.924 25439 11228 1 15 . 1 1 142 142 PHE CB C 142 40.055 40.055 40.974 -0.919 25439 11229 1 15 . 1 1 142 142 PHE H H 142 7.534 7.534 8.226 -0.692 25439 11230 1 15 . 1 1 143 143 HIS N N 143 126.548 126.548 117.552 8.996 25439 11231 1 15 . 1 1 143 143 HIS HA H 143 4.336 4.336 4.483 -0.147 25439 11232 1 15 . 1 1 143 143 HIS CA C 143 56.837 56.837 55.821 1.016 25439 11233 1 15 . 1 1 143 143 HIS CB C 143 31.949 31.949 32.139 -0.190 25439 11234 1 15 . 1 1 143 143 HIS H H 143 8.308 8.308 7.151 1.157 25439 11235 1 15 . 1 1 144 144 GLN N N 144 115.094 115.094 116.395 -1.301 25439 11236 1 15 . 1 1 144 144 GLN HA H 144 4.433 4.433 4.595 -0.162 25439 11237 1 15 . 1 1 144 144 GLN CA C 144 54.210 54.210 53.421 0.789 25439 11238 1 15 . 1 1 144 144 GLN CB C 144 32.925 32.925 31.870 1.055 25439 11239 1 15 . 1 1 144 144 GLN H H 144 7.203 7.203 6.953 0.250 25439 11240 1 15 . 1 1 145 145 CYS N N 145 123.088 123.088 119.012 4.076 25439 11241 1 15 . 1 1 145 145 CYS HA H 145 4.961 4.961 4.917 0.044 25439 11242 1 15 . 1 1 145 145 CYS CA C 145 57.978 57.978 57.342 0.636 25439 11243 1 15 . 1 1 145 145 CYS CB C 145 33.555 33.555 29.554 4.001 25439 11244 1 15 . 1 1 145 145 CYS H H 145 8.668 8.668 8.665 0.003 25439 11245 1 15 . 1 1 146 146 VAL N N 146 113.265 113.265 121.295 -8.030 25439 11246 1 15 . 1 1 146 146 VAL HA H 146 4.238 4.238 4.202 0.036 25439 11247 1 15 . 1 1 146 146 VAL CA C 146 64.001 64.001 64.842 -0.841 25439 11248 1 15 . 1 1 146 146 VAL CB C 146 32.157 32.157 32.366 -0.209 25439 11249 1 15 . 1 1 146 146 VAL H H 146 8.198 8.198 8.499 -0.301 25439 11250 1 15 . 1 1 147 147 HIS N N 147 120.556 120.556 118.495 2.061 25439 11251 1 15 . 1 1 147 147 HIS HA H 147 4.604 4.604 4.333 0.271 25439 11252 1 15 . 1 1 147 147 HIS CA C 147 58.708 58.708 58.284 0.424 25439 11253 1 15 . 1 1 147 147 HIS CB C 147 32.204 32.204 29.119 3.085 25439 11254 1 15 . 1 1 147 147 HIS H H 147 7.151 7.151 8.402 -1.251 25439 11255 1 15 . 1 1 148 148 CYS N N 148 112.110 112.110 112.172 -0.062 25439 11256 1 15 . 1 1 148 148 CYS HA H 148 4.889 4.889 4.842 0.047 25439 11257 1 15 . 1 1 148 148 CYS CA C 148 57.952 57.952 55.562 2.390 25439 11258 1 15 . 1 1 148 148 CYS CB C 148 32.956 32.956 30.291 2.665 25439 11259 1 15 . 1 1 148 148 CYS H H 148 7.413 7.413 7.276 0.137 25439 11260 1 15 . 1 1 149 149 GLY N N 149 112.797 112.797 108.180 4.617 25439 11261 1 15 . 1 1 149 149 GLY CA C 149 45.327 45.327 44.327 1.000 25439 11262 1 15 . 1 1 149 149 GLY H H 149 6.949 6.949 8.309 -1.360 25439 11263 1 15 . 1 1 150 150 CYS N N 150 127.277 127.277 120.093 7.184 25439 11264 1 15 . 1 1 150 150 CYS HA H 150 3.932 3.932 4.540 -0.608 25439 11265 1 15 . 1 1 150 150 CYS CA C 150 61.362 61.362 57.148 4.214 25439 11266 1 15 . 1 1 150 150 CYS CB C 150 30.632 30.632 29.680 0.952 25439 11267 1 15 . 1 1 150 150 CYS H H 150 8.240 8.240 7.121 1.119 25439 11268 1 15 . 1 1 151 151 ARG N N 151 125.476 125.476 126.999 -1.523 25439 11269 1 15 . 1 1 151 151 ARG HA H 151 4.775 4.775 4.364 0.411 25439 11270 1 15 . 1 1 151 151 ARG CA C 151 56.164 56.164 55.151 1.013 25439 11271 1 15 . 1 1 151 151 ARG CB C 151 30.354 30.354 29.210 1.144 25439 11272 1 15 . 1 1 151 151 ARG H H 151 8.492 8.492 8.635 -0.143 25439 11273 1 15 . 1 1 152 152 GLY N N 152 117.275 117.275 108.268 9.007 25439 11274 1 15 . 1 1 152 152 GLY CA C 152 45.523 45.523 45.402 0.121 25439 11275 1 15 . 1 1 152 152 GLY H H 152 9.812 9.812 7.727 2.085 25439 11276 1 15 . 1 1 153 153 CYS N N 153 126.187 126.187 118.866 7.321 25439 11277 1 15 . 1 1 153 153 CYS HA H 153 4.842 4.842 4.827 0.015 25439 11278 1 15 . 1 1 153 153 CYS CA C 153 57.130 57.130 55.830 1.300 25439 11279 1 15 . 1 1 153 153 CYS CB C 153 31.368 31.368 27.879 3.489 25439 11280 1 15 . 1 1 153 153 CYS H H 153 8.930 8.930 8.224 0.706 25439 11281 1 15 . 1 1 154 154 ALA N N 154 125.869 125.869 126.357 -0.488 25439 11282 1 15 . 1 1 154 154 ALA HA H 154 4.159 4.159 4.919 -0.760 25439 11283 1 15 . 1 1 154 154 ALA CA C 154 53.187 53.187 51.528 1.659 25439 11284 1 15 . 1 1 154 154 ALA CB C 154 18.937 18.937 21.312 -2.375 25439 11285 1 15 . 1 1 154 154 ALA H H 154 8.616 8.616 8.339 0.277 25439 11286 1 15 . 1 1 155 155 SER N N 155 116.724 116.724 117.001 -0.277 25439 11287 1 15 . 1 1 155 155 SER HA H 155 4.283 4.283 4.374 -0.091 25439 11288 1 15 . 1 1 155 155 SER CA C 155 60.136 60.136 60.018 0.118 25439 11289 1 15 . 1 1 155 155 SER CB C 155 63.575 63.575 64.005 -0.430 25439 11290 1 15 . 1 1 155 155 SER H H 155 9.358 9.358 8.893 0.465 25439 11291 1 15 . 1 1 156 156 THR N N 156 111.893 111.893 114.644 -2.751 25439 11292 1 15 . 1 1 156 156 THR HA H 156 4.358 4.358 4.095 0.263 25439 11293 1 15 . 1 1 156 156 THR CA C 156 61.264 61.264 64.262 -2.998 25439 11294 1 15 . 1 1 156 156 THR CB C 156 69.999 69.999 69.003 0.996 25439 11295 1 15 . 1 1 156 156 THR H H 156 7.638 7.638 8.091 -0.453 25439 11296 1 16 . 1 1 0 0 GLY CA C 0 43.750 43.750 44.327 -0.577 25439 11297 1 16 . 1 1 1 1 SER N N 1 117.201 117.201 117.677 -0.476 25439 11298 1 16 . 1 1 1 1 SER HA H 1 4.809 4.809 4.236 0.573 25439 11299 1 16 . 1 1 1 1 SER CA C 1 56.525 56.525 57.733 -1.208 25439 11300 1 16 . 1 1 1 1 SER CB C 1 63.385 63.385 62.770 0.615 25439 11301 1 16 . 1 1 1 1 SER H H 1 8.381 8.381 8.176 0.205 25439 11302 1 16 . 1 1 2 2 PRO HA H 2 4.468 4.468 4.539 -0.071 25439 11303 1 16 . 1 1 2 2 PRO CA C 2 63.292 63.292 62.825 0.467 25439 11304 1 16 . 1 1 2 2 PRO CB C 2 32.174 32.174 32.484 -0.310 25439 11305 1 16 . 1 1 3 3 ARG N N 3 121.649 121.649 118.401 3.248 25439 11306 1 16 . 1 1 3 3 ARG HA H 3 4.324 4.324 4.425 -0.101 25439 11307 1 16 . 1 1 3 3 ARG CA C 3 56.226 56.226 56.347 -0.121 25439 11308 1 16 . 1 1 3 3 ARG CB C 3 30.732 30.732 31.250 -0.518 25439 11309 1 16 . 1 1 3 3 ARG H H 3 8.428 8.428 8.260 0.168 25439 11310 1 16 . 1 1 4 4 ILE N N 4 122.500 122.500 120.811 1.689 25439 11311 1 16 . 1 1 4 4 ILE HA H 4 4.181 4.181 4.379 -0.198 25439 11312 1 16 . 1 1 4 4 ILE CA C 4 60.943 60.943 60.740 0.203 25439 11313 1 16 . 1 1 4 4 ILE CB C 4 38.751 38.751 39.313 -0.562 25439 11314 1 16 . 1 1 4 4 ILE H H 4 8.165 8.165 7.744 0.421 25439 11315 1 16 . 1 1 5 5 LYS N N 5 126.237 126.237 125.409 0.828 25439 11316 1 16 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.712 -0.310 25439 11317 1 16 . 1 1 5 5 LYS CA C 5 56.422 56.422 56.087 0.335 25439 11318 1 16 . 1 1 5 5 LYS CB C 5 33.130 33.130 34.053 -0.923 25439 11319 1 16 . 1 1 5 5 LYS H H 5 8.500 8.500 8.447 0.053 25439 11320 1 16 . 1 1 6 6 THR N N 6 116.495 116.495 116.088 0.407 25439 11321 1 16 . 1 1 6 6 THR HA H 6 4.323 4.323 4.569 -0.246 25439 11322 1 16 . 1 1 6 6 THR CA C 6 61.918 61.918 62.198 -0.280 25439 11323 1 16 . 1 1 6 6 THR CB C 6 69.963 69.963 69.403 0.560 25439 11324 1 16 . 1 1 6 6 THR H H 6 8.194 8.194 8.119 0.075 25439 11325 1 16 . 1 1 7 7 ARG N N 7 124.128 124.128 122.154 1.974 25439 11326 1 16 . 1 1 7 7 ARG HA H 7 4.396 4.396 4.474 -0.078 25439 11327 1 16 . 1 1 7 7 ARG CA C 7 56.128 56.128 56.119 0.009 25439 11328 1 16 . 1 1 7 7 ARG CB C 7 30.953 30.953 32.114 -1.161 25439 11329 1 16 . 1 1 7 7 ARG H H 7 8.458 8.458 7.898 0.560 25439 11330 1 16 . 1 1 8 8 ARG N N 8 123.384 123.384 126.806 -3.422 25439 11331 1 16 . 1 1 8 8 ARG HA H 8 4.424 4.424 4.613 -0.189 25439 11332 1 16 . 1 1 8 8 ARG CA C 8 56.011 56.011 56.553 -0.542 25439 11333 1 16 . 1 1 8 8 ARG CB C 8 31.058 31.058 31.110 -0.052 25439 11334 1 16 . 1 1 8 8 ARG H H 8 8.526 8.526 8.958 -0.432 25439 11335 1 16 . 1 1 9 9 SER N N 9 118.446 118.446 120.866 -2.420 25439 11336 1 16 . 1 1 9 9 SER HA H 9 4.473 4.473 4.019 0.454 25439 11337 1 16 . 1 1 9 9 SER CA C 9 58.568 58.568 60.721 -2.153 25439 11338 1 16 . 1 1 9 9 SER CB C 9 63.986 63.986 62.809 1.177 25439 11339 1 16 . 1 1 9 9 SER H H 9 8.450 8.450 9.001 -0.551 25439 11340 1 16 . 1 1 10 10 LYS N N 10 124.117 124.117 121.008 3.109 25439 11341 1 16 . 1 1 10 10 LYS HA H 10 4.673 4.673 4.807 -0.134 25439 11342 1 16 . 1 1 10 10 LYS CA C 10 54.412 54.412 53.946 0.466 25439 11343 1 16 . 1 1 10 10 LYS CB C 10 32.693 32.693 33.163 -0.470 25439 11344 1 16 . 1 1 10 10 LYS H H 10 8.426 8.426 8.125 0.301 25439 11345 1 16 . 1 1 11 11 PRO HA H 11 4.360 4.360 4.397 -0.037 25439 11346 1 16 . 1 1 11 11 PRO CA C 11 62.861 62.861 62.749 0.112 25439 11347 1 16 . 1 1 11 11 PRO CB C 11 32.106 32.106 32.273 -0.167 25439 11348 1 16 . 1 1 12 12 ALA N N 12 124.420 124.420 121.007 3.413 25439 11349 1 16 . 1 1 12 12 ALA HA H 12 2.889 2.889 2.790 0.099 25439 11350 1 16 . 1 1 12 12 ALA CA C 12 49.735 49.735 51.030 -1.295 25439 11351 1 16 . 1 1 12 12 ALA CB C 12 18.066 18.066 16.449 1.617 25439 11352 1 16 . 1 1 12 12 ALA H H 12 7.890 7.890 7.840 0.050 25439 11353 1 16 . 1 1 13 13 PRO HA H 13 4.207 4.207 4.471 -0.264 25439 11354 1 16 . 1 1 13 13 PRO CA C 13 62.111 62.111 61.735 0.376 25439 11355 1 16 . 1 1 13 13 PRO CB C 13 32.582 32.582 32.510 0.072 25439 11356 1 16 . 1 1 14 14 ASP N N 14 119.535 119.535 119.906 -0.371 25439 11357 1 16 . 1 1 14 14 ASP HA H 14 4.379 4.379 4.292 0.087 25439 11358 1 16 . 1 1 14 14 ASP CA C 14 56.427 56.427 57.596 -1.169 25439 11359 1 16 . 1 1 14 14 ASP CB C 14 41.177 41.177 40.646 0.531 25439 11360 1 16 . 1 1 14 14 ASP H H 14 8.206 8.206 8.654 -0.448 25439 11361 1 16 . 1 1 15 15 GLY N N 15 113.273 113.273 107.716 5.557 25439 11362 1 16 . 1 1 15 15 GLY CA C 15 45.146 45.146 46.660 -1.514 25439 11363 1 16 . 1 1 15 15 GLY H H 15 8.723 8.723 8.450 0.273 25439 11364 1 16 . 1 1 16 16 PHE N N 16 123.113 123.113 122.731 0.382 25439 11365 1 16 . 1 1 16 16 PHE HA H 16 4.125 4.125 4.225 -0.100 25439 11366 1 16 . 1 1 16 16 PHE CA C 16 60.715 60.715 59.334 1.381 25439 11367 1 16 . 1 1 16 16 PHE CB C 16 39.639 39.639 39.075 0.564 25439 11368 1 16 . 1 1 16 16 PHE H H 16 8.127 8.127 8.320 -0.193 25439 11369 1 16 . 1 1 17 17 GLU N N 17 115.695 115.695 119.464 -3.769 25439 11370 1 16 . 1 1 17 17 GLU HA H 17 3.768 3.768 3.806 -0.038 25439 11371 1 16 . 1 1 17 17 GLU CA C 17 59.234 59.234 59.452 -0.218 25439 11372 1 16 . 1 1 17 17 GLU CB C 17 28.495 28.495 29.399 -0.904 25439 11373 1 16 . 1 1 17 17 GLU H H 17 9.088 9.088 8.065 1.023 25439 11374 1 16 . 1 1 18 18 LYS N N 18 115.887 115.887 117.539 -1.652 25439 11375 1 16 . 1 1 18 18 LYS HA H 18 4.165 4.165 4.070 0.095 25439 11376 1 16 . 1 1 18 18 LYS CA C 18 58.249 58.249 58.613 -0.364 25439 11377 1 16 . 1 1 18 18 LYS CB C 18 32.725 32.725 32.808 -0.083 25439 11378 1 16 . 1 1 18 18 LYS H H 18 7.285 7.285 7.859 -0.574 25439 11379 1 16 . 1 1 19 19 ILE N N 19 110.277 110.277 110.234 0.043 25439 11380 1 16 . 1 1 19 19 ILE HA H 19 4.722 4.722 4.681 0.041 25439 11381 1 16 . 1 1 19 19 ILE CA C 19 61.093 61.093 59.885 1.208 25439 11382 1 16 . 1 1 19 19 ILE CB C 19 39.139 39.139 38.174 0.965 25439 11383 1 16 . 1 1 19 19 ILE H H 19 7.031 7.031 7.508 -0.477 25439 11384 1 16 . 1 1 20 20 LYS N N 20 124.540 124.540 122.288 2.252 25439 11385 1 16 . 1 1 20 20 LYS HA H 20 3.603 3.603 3.553 0.050 25439 11386 1 16 . 1 1 20 20 LYS CA C 20 60.917 60.917 60.166 0.751 25439 11387 1 16 . 1 1 20 20 LYS CB C 20 30.210 30.210 30.657 -0.447 25439 11388 1 16 . 1 1 20 20 LYS H H 20 7.666 7.666 7.270 0.396 25439 11389 1 16 . 1 1 21 21 PRO HA H 21 4.292 4.292 4.558 -0.266 25439 11390 1 16 . 1 1 21 21 PRO CA C 21 66.990 66.990 65.174 1.816 25439 11391 1 16 . 1 1 21 21 PRO CB C 21 30.779 30.779 31.488 -0.709 25439 11392 1 16 . 1 1 22 22 THR N N 22 114.917 114.917 115.478 -0.561 25439 11393 1 16 . 1 1 22 22 THR HA H 22 3.866 3.866 4.092 -0.226 25439 11394 1 16 . 1 1 22 22 THR CA C 22 66.575 66.575 66.605 -0.030 25439 11395 1 16 . 1 1 22 22 THR CB C 22 68.731 68.731 68.099 0.632 25439 11396 1 16 . 1 1 22 22 THR H H 22 7.331 7.331 8.402 -1.071 25439 11397 1 16 . 1 1 23 23 LEU N N 23 120.152 120.152 120.170 -0.018 25439 11398 1 16 . 1 1 23 23 LEU HA H 23 4.397 4.397 3.921 0.476 25439 11399 1 16 . 1 1 23 23 LEU CA C 23 58.740 58.740 57.814 0.926 25439 11400 1 16 . 1 1 23 23 LEU CB C 23 40.489 40.489 41.842 -1.353 25439 11401 1 16 . 1 1 23 23 LEU H H 23 7.991 7.991 7.533 0.458 25439 11402 1 16 . 1 1 24 24 THR N N 24 119.365 119.365 115.173 4.192 25439 11403 1 16 . 1 1 24 24 THR HA H 24 4.095 4.095 4.004 0.091 25439 11404 1 16 . 1 1 24 24 THR CA C 24 66.834 66.834 66.601 0.233 25439 11405 1 16 . 1 1 24 24 THR CB C 24 68.614 68.614 68.435 0.179 25439 11406 1 16 . 1 1 24 24 THR H H 24 9.175 9.175 7.600 1.575 25439 11407 1 16 . 1 1 25 25 ASP N N 25 122.865 122.865 121.618 1.247 25439 11408 1 16 . 1 1 25 25 ASP HA H 25 4.483 4.483 4.414 0.069 25439 11409 1 16 . 1 1 25 25 ASP CA C 25 58.158 58.158 57.376 0.782 25439 11410 1 16 . 1 1 25 25 ASP CB C 25 40.329 40.329 40.343 -0.014 25439 11411 1 16 . 1 1 25 25 ASP H H 25 7.714 7.714 7.855 -0.141 25439 11412 1 16 . 1 1 26 26 PHE N N 26 116.182 116.182 119.732 -3.550 25439 11413 1 16 . 1 1 26 26 PHE HA H 26 4.457 4.457 4.063 0.394 25439 11414 1 16 . 1 1 26 26 PHE CA C 26 62.531 62.531 62.317 0.214 25439 11415 1 16 . 1 1 26 26 PHE CB C 26 39.468 39.468 38.774 0.694 25439 11416 1 16 . 1 1 26 26 PHE H H 26 7.816 7.816 7.948 -0.132 25439 11417 1 16 . 1 1 27 27 GLU N N 27 120.107 120.107 118.808 1.299 25439 11418 1 16 . 1 1 27 27 GLU HA H 27 4.113 4.113 4.034 0.079 25439 11419 1 16 . 1 1 27 27 GLU CA C 27 59.852 59.852 59.294 0.558 25439 11420 1 16 . 1 1 27 27 GLU CB C 27 29.692 29.692 29.310 0.382 25439 11421 1 16 . 1 1 27 27 GLU H H 27 8.068 8.068 7.966 0.102 25439 11422 1 16 . 1 1 28 28 ILE N N 28 121.494 121.494 119.878 1.616 25439 11423 1 16 . 1 1 28 28 ILE HA H 28 3.718 3.718 3.844 -0.126 25439 11424 1 16 . 1 1 28 28 ILE CA C 28 65.002 65.002 63.008 1.994 25439 11425 1 16 . 1 1 28 28 ILE CB C 28 38.023 38.023 36.687 1.336 25439 11426 1 16 . 1 1 28 28 ILE H H 28 8.531 8.531 7.984 0.547 25439 11427 1 16 . 1 1 29 29 GLN N N 29 118.941 118.941 120.282 -1.341 25439 11428 1 16 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.092 0.088 25439 11429 1 16 . 1 1 29 29 GLN CA C 29 59.507 59.507 58.364 1.143 25439 11430 1 16 . 1 1 29 29 GLN CB C 29 29.783 29.783 28.405 1.378 25439 11431 1 16 . 1 1 29 29 GLN H H 29 8.117 8.117 7.502 0.615 25439 11432 1 16 . 1 1 30 30 LEU N N 30 121.724 121.724 120.906 0.818 25439 11433 1 16 . 1 1 30 30 LEU HA H 30 4.032 4.032 3.996 0.036 25439 11434 1 16 . 1 1 30 30 LEU CA C 30 58.333 58.333 58.234 0.099 25439 11435 1 16 . 1 1 30 30 LEU CB C 30 42.339 42.339 41.924 0.415 25439 11436 1 16 . 1 1 30 30 LEU H H 30 8.677 8.677 8.760 -0.083 25439 11437 1 16 . 1 1 31 31 ARG N N 31 120.629 120.629 119.735 0.894 25439 11438 1 16 . 1 1 31 31 ARG HA H 31 4.105 4.105 3.857 0.248 25439 11439 1 16 . 1 1 31 31 ARG CA C 31 59.340 59.340 60.478 -1.138 25439 11440 1 16 . 1 1 31 31 ARG CB C 31 30.044 30.044 29.832 0.212 25439 11441 1 16 . 1 1 31 31 ARG H H 31 8.227 8.227 8.317 -0.090 25439 11442 1 16 . 1 1 32 32 ASP N N 32 120.233 120.233 119.730 0.503 25439 11443 1 16 . 1 1 32 32 ASP HA H 32 4.484 4.484 4.379 0.105 25439 11444 1 16 . 1 1 32 32 ASP CA C 32 57.199 57.199 57.645 -0.446 25439 11445 1 16 . 1 1 32 32 ASP CB C 32 40.202 40.202 40.597 -0.395 25439 11446 1 16 . 1 1 32 32 ASP H H 32 8.407 8.407 7.698 0.709 25439 11447 1 16 . 1 1 33 33 ALA N N 33 121.939 121.939 122.615 -0.676 25439 11448 1 16 . 1 1 33 33 ALA HA H 33 4.321 4.321 3.887 0.434 25439 11449 1 16 . 1 1 33 33 ALA CA C 33 54.207 54.207 55.186 -0.979 25439 11450 1 16 . 1 1 33 33 ALA CB C 33 18.738 18.738 18.305 0.433 25439 11451 1 16 . 1 1 33 33 ALA H H 33 8.057 8.057 7.530 0.527 25439 11452 1 16 . 1 1 34 34 GLN N N 34 114.736 114.736 117.385 -2.649 25439 11453 1 16 . 1 1 34 34 GLN HA H 34 4.248 4.248 4.076 0.172 25439 11454 1 16 . 1 1 34 34 GLN CA C 34 56.567 56.567 58.797 -2.230 25439 11455 1 16 . 1 1 34 34 GLN CB C 34 29.743 29.743 28.706 1.037 25439 11456 1 16 . 1 1 34 34 GLN H H 34 7.746 7.746 8.511 -0.765 25439 11457 1 16 . 1 1 35 35 LYS N N 35 120.534 120.534 118.568 1.966 25439 11458 1 16 . 1 1 35 35 LYS HA H 35 4.232 4.232 4.206 0.026 25439 11459 1 16 . 1 1 35 35 LYS CA C 35 57.427 57.427 58.670 -1.244 25439 11460 1 16 . 1 1 35 35 LYS CB C 35 32.887 32.887 32.638 0.249 25439 11461 1 16 . 1 1 35 35 LYS H H 35 7.570 7.570 8.143 -0.573 25439 11462 1 16 . 1 1 36 36 ASP N N 36 120.943 120.943 121.198 -0.255 25439 11463 1 16 . 1 1 36 36 ASP HA H 36 4.595 4.595 4.306 0.289 25439 11464 1 16 . 1 1 36 36 ASP CA C 36 54.983 54.983 56.960 -1.977 25439 11465 1 16 . 1 1 36 36 ASP CB C 36 41.129 41.129 40.745 0.384 25439 11466 1 16 . 1 1 36 36 ASP H H 36 8.375 8.375 8.403 -0.028 25439 11467 1 16 . 1 1 37 37 LYS N N 37 122.598 122.598 117.747 4.851 25439 11468 1 16 . 1 1 37 37 LYS HA H 37 4.365 4.365 4.039 0.326 25439 11469 1 16 . 1 1 37 37 LYS CA C 37 56.725 56.725 58.464 -1.739 25439 11470 1 16 . 1 1 37 37 LYS CB C 37 32.823 32.823 32.698 0.125 25439 11471 1 16 . 1 1 37 37 LYS H H 37 8.446 8.446 7.487 0.959 25439 11472 1 16 . 1 1 38 38 SER N N 38 115.849 115.849 111.790 4.059 25439 11473 1 16 . 1 1 38 38 SER HA H 38 4.423 4.423 4.704 -0.281 25439 11474 1 16 . 1 1 38 38 SER CA C 38 59.193 59.193 57.612 1.581 25439 11475 1 16 . 1 1 38 38 SER CB C 38 63.744 63.744 64.811 -1.067 25439 11476 1 16 . 1 1 38 38 SER H H 38 8.392 8.392 7.550 0.842 25439 11477 1 16 . 1 1 39 39 SER N N 39 117.258 117.258 114.528 2.730 25439 11478 1 16 . 1 1 39 39 SER HA H 39 4.445 4.445 4.076 0.369 25439 11479 1 16 . 1 1 39 39 SER CA C 39 58.933 58.933 60.848 -1.915 25439 11480 1 16 . 1 1 39 39 SER CB C 39 63.711 63.711 62.108 1.603 25439 11481 1 16 . 1 1 39 39 SER H H 39 8.283 8.283 8.540 -0.257 25439 11482 1 16 . 1 1 40 40 LYS N N 40 122.427 122.427 123.507 -1.080 25439 11483 1 16 . 1 1 40 40 LYS HA H 40 4.321 4.321 4.498 -0.177 25439 11484 1 16 . 1 1 40 40 LYS CA C 40 56.847 56.847 55.340 1.507 25439 11485 1 16 . 1 1 40 40 LYS CB C 40 32.764 32.764 34.009 -1.245 25439 11486 1 16 . 1 1 40 40 LYS H H 40 8.263 8.263 8.372 -0.109 25439 11487 1 16 . 1 1 41 41 LEU N N 41 121.281 121.281 123.207 -1.926 25439 11488 1 16 . 1 1 41 41 LEU HA H 41 4.308 4.308 4.541 -0.233 25439 11489 1 16 . 1 1 41 41 LEU CA C 41 55.335 55.335 55.798 -0.463 25439 11490 1 16 . 1 1 41 41 LEU CB C 41 42.212 42.212 42.345 -0.133 25439 11491 1 16 . 1 1 41 41 LEU H H 41 8.068 8.068 8.606 -0.538 25439 11492 1 16 . 1 1 42 42 ALA N N 42 123.964 123.964 127.014 -3.050 25439 11493 1 16 . 1 1 42 42 ALA HA H 42 4.274 4.274 4.429 -0.155 25439 11494 1 16 . 1 1 42 42 ALA CA C 42 52.851 52.851 52.395 0.456 25439 11495 1 16 . 1 1 42 42 ALA CB C 42 19.135 19.135 19.125 0.010 25439 11496 1 16 . 1 1 42 42 ALA H H 42 8.111 8.111 8.608 -0.497 25439 11497 1 16 . 1 1 43 43 ALA N N 43 122.146 122.146 121.610 0.536 25439 11498 1 16 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.386 -0.089 25439 11499 1 16 . 1 1 43 43 ALA CA C 43 52.727 52.727 51.623 1.103 25439 11500 1 16 . 1 1 43 43 ALA CB C 43 19.318 19.318 20.032 -0.714 25439 11501 1 16 . 1 1 43 43 ALA H H 43 8.101 8.101 7.687 0.414 25439 11502 1 16 . 1 1 44 44 LYS N N 44 119.454 119.454 120.148 -0.694 25439 11503 1 16 . 1 1 44 44 LYS HA H 44 4.349 4.349 4.029 0.320 25439 11504 1 16 . 1 1 44 44 LYS CA C 44 56.267 56.267 56.537 -0.270 25439 11505 1 16 . 1 1 44 44 LYS CB C 44 32.825 32.825 32.243 0.582 25439 11506 1 16 . 1 1 44 44 LYS H H 44 8.198 8.198 8.380 -0.182 25439 11507 1 16 . 1 1 45 45 SER N N 45 116.660 116.660 116.545 0.115 25439 11508 1 16 . 1 1 45 45 SER HA H 45 4.368 4.368 4.550 -0.182 25439 11509 1 16 . 1 1 45 45 SER CA C 45 58.477 58.477 59.289 -0.812 25439 11510 1 16 . 1 1 45 45 SER CB C 45 64.063 64.063 63.666 0.397 25439 11511 1 16 . 1 1 45 45 SER H H 45 8.251 8.251 8.247 0.004 25439 11512 1 16 . 1 1 46 46 ASN N N 46 120.516 120.516 120.028 0.488 25439 11513 1 16 . 1 1 46 46 ASN HA H 46 4.361 4.361 4.234 0.127 25439 11514 1 16 . 1 1 46 46 ASN CA C 46 54.657 54.657 56.127 -1.470 25439 11515 1 16 . 1 1 46 46 ASN CB C 46 37.649 37.649 37.960 -0.311 25439 11516 1 16 . 1 1 46 46 ASN H H 46 8.498 8.498 8.495 0.003 25439 11517 1 16 . 1 1 47 47 GLU N N 47 117.964 117.964 117.088 0.876 25439 11518 1 16 . 1 1 47 47 GLU HA H 47 3.350 3.350 3.228 0.122 25439 11519 1 16 . 1 1 47 47 GLU CA C 47 59.213 59.213 59.277 -0.064 25439 11520 1 16 . 1 1 47 47 GLU CB C 47 28.998 28.998 29.076 -0.078 25439 11521 1 16 . 1 1 47 47 GLU H H 47 8.016 8.016 8.283 -0.267 25439 11522 1 16 . 1 1 48 48 GLN N N 48 119.468 119.468 119.219 0.249 25439 11523 1 16 . 1 1 48 48 GLN HA H 48 4.250 4.250 4.208 0.042 25439 11524 1 16 . 1 1 48 48 GLN CA C 48 58.529 58.529 58.373 0.156 25439 11525 1 16 . 1 1 48 48 GLN CB C 48 28.902 28.902 27.965 0.937 25439 11526 1 16 . 1 1 48 48 GLN H H 48 7.892 7.892 7.369 0.523 25439 11527 1 16 . 1 1 49 49 LEU N N 49 120.145 120.145 120.135 0.010 25439 11528 1 16 . 1 1 49 49 LEU HA H 49 4.232 4.232 3.928 0.304 25439 11529 1 16 . 1 1 49 49 LEU CA C 49 57.479 57.479 57.956 -0.477 25439 11530 1 16 . 1 1 49 49 LEU CB C 49 41.391 41.391 41.879 -0.488 25439 11531 1 16 . 1 1 49 49 LEU H H 49 7.699 7.699 7.571 0.128 25439 11532 1 16 . 1 1 50 50 TRP N N 50 119.596 119.596 117.952 1.644 25439 11533 1 16 . 1 1 50 50 TRP HA H 50 4.520 4.520 4.496 0.024 25439 11534 1 16 . 1 1 50 50 TRP CA C 50 58.353 58.353 57.447 0.906 25439 11535 1 16 . 1 1 50 50 TRP CB C 50 28.880 28.880 27.953 0.927 25439 11536 1 16 . 1 1 50 50 TRP H H 50 8.385 8.385 7.581 0.804 25439 11537 1 16 . 1 1 51 51 GLU N N 51 119.362 119.362 118.851 0.511 25439 11538 1 16 . 1 1 51 51 GLU HA H 51 4.145 4.145 4.092 0.053 25439 11539 1 16 . 1 1 51 51 GLU CA C 51 60.035 60.035 59.456 0.579 25439 11540 1 16 . 1 1 51 51 GLU CB C 51 29.675 29.675 29.294 0.381 25439 11541 1 16 . 1 1 51 51 GLU H H 51 8.223 8.223 7.791 0.432 25439 11542 1 16 . 1 1 52 52 ILE N N 52 119.018 119.018 120.119 -1.101 25439 11543 1 16 . 1 1 52 52 ILE HA H 52 3.673 3.673 3.716 -0.043 25439 11544 1 16 . 1 1 52 52 ILE CA C 52 65.511 65.511 65.366 0.145 25439 11545 1 16 . 1 1 52 52 ILE CB C 52 38.532 38.532 38.184 0.348 25439 11546 1 16 . 1 1 52 52 ILE H H 52 7.801 7.801 7.632 0.169 25439 11547 1 16 . 1 1 53 53 MET N N 53 118.133 118.133 117.234 0.899 25439 11548 1 16 . 1 1 53 53 MET HA H 53 4.452 4.452 4.107 0.345 25439 11549 1 16 . 1 1 53 53 MET CA C 53 58.216 58.216 58.662 -0.446 25439 11550 1 16 . 1 1 53 53 MET CB C 53 31.838 31.838 31.912 -0.074 25439 11551 1 16 . 1 1 53 53 MET H H 53 8.411 8.411 7.501 0.910 25439 11552 1 16 . 1 1 54 54 GLN N N 54 120.855 120.855 119.075 1.780 25439 11553 1 16 . 1 1 54 54 GLN HA H 54 4.333 4.333 4.016 0.317 25439 11554 1 16 . 1 1 54 54 GLN CA C 54 59.004 59.004 58.475 0.529 25439 11555 1 16 . 1 1 54 54 GLN CB C 54 27.824 27.824 28.980 -1.156 25439 11556 1 16 . 1 1 54 54 GLN H H 54 8.860 8.860 8.455 0.405 25439 11557 1 16 . 1 1 55 55 LEU N N 55 122.788 122.788 119.984 2.804 25439 11558 1 16 . 1 1 55 55 LEU HA H 55 4.302 4.302 4.136 0.166 25439 11559 1 16 . 1 1 55 55 LEU CA C 55 58.685 58.685 58.040 0.645 25439 11560 1 16 . 1 1 55 55 LEU CB C 55 42.695 42.695 41.797 0.898 25439 11561 1 16 . 1 1 55 55 LEU H H 55 8.298 8.298 8.069 0.229 25439 11562 1 16 . 1 1 56 56 HIS N N 56 118.426 118.426 117.851 0.575 25439 11563 1 16 . 1 1 56 56 HIS HA H 56 4.317 4.317 4.201 0.116 25439 11564 1 16 . 1 1 56 56 HIS CA C 56 60.732 60.732 60.525 0.207 25439 11565 1 16 . 1 1 56 56 HIS CB C 56 30.530 30.530 29.736 0.794 25439 11566 1 16 . 1 1 56 56 HIS H H 56 8.416 8.416 7.835 0.581 25439 11567 1 16 . 1 1 57 57 HIS N N 57 121.197 121.197 119.180 2.017 25439 11568 1 16 . 1 1 57 57 HIS HA H 57 4.318 4.318 4.555 -0.237 25439 11569 1 16 . 1 1 57 57 HIS CA C 57 60.739 60.739 59.433 1.306 25439 11570 1 16 . 1 1 57 57 HIS CB C 57 28.726 28.726 30.150 -1.424 25439 11571 1 16 . 1 1 57 57 HIS H H 57 8.608 8.608 8.215 0.393 25439 11572 1 16 . 1 1 58 58 GLN N N 58 118.739 118.739 118.866 -0.127 25439 11573 1 16 . 1 1 58 58 GLN HA H 58 4.202 4.202 4.162 0.040 25439 11574 1 16 . 1 1 58 58 GLN CA C 58 59.507 59.507 59.625 -0.118 25439 11575 1 16 . 1 1 58 58 GLN CB C 58 29.111 29.111 28.790 0.321 25439 11576 1 16 . 1 1 58 58 GLN H H 58 9.206 9.206 8.417 0.789 25439 11577 1 16 . 1 1 59 59 ARG N N 59 122.498 122.498 120.282 2.216 25439 11578 1 16 . 1 1 59 59 ARG HA H 59 3.437 3.437 3.746 -0.309 25439 11579 1 16 . 1 1 59 59 ARG CA C 59 60.361 60.361 58.776 1.585 25439 11580 1 16 . 1 1 59 59 ARG H H 59 8.623 8.623 8.071 0.552 25439 11581 1 16 . 1 1 60 60 SER N N 60 114.930 114.930 115.369 -0.439 25439 11582 1 16 . 1 1 60 60 SER HA H 60 4.515 4.515 4.262 0.253 25439 11583 1 16 . 1 1 60 60 SER CA C 60 64.832 64.832 62.328 2.504 25439 11584 1 16 . 1 1 60 60 SER CB C 60 63.583 63.583 63.164 0.419 25439 11585 1 16 . 1 1 60 60 SER H H 60 7.993 7.993 8.626 -0.633 25439 11586 1 16 . 1 1 61 61 ARG N N 61 124.417 124.417 122.646 1.771 25439 11587 1 16 . 1 1 61 61 ARG HA H 61 4.204 4.204 4.174 0.030 25439 11588 1 16 . 1 1 61 61 ARG CA C 61 58.852 58.852 59.645 -0.793 25439 11589 1 16 . 1 1 61 61 ARG CB C 61 29.077 29.077 30.050 -0.974 25439 11590 1 16 . 1 1 61 61 ARG H H 61 9.569 9.569 8.582 0.987 25439 11591 1 16 . 1 1 62 62 TYR N N 62 124.484 124.484 120.673 3.811 25439 11592 1 16 . 1 1 62 62 TYR HA H 62 4.676 4.676 4.257 0.419 25439 11593 1 16 . 1 1 62 62 TYR CA C 62 61.006 61.006 61.958 -0.952 25439 11594 1 16 . 1 1 62 62 TYR CB C 62 38.392 38.392 38.648 -0.256 25439 11595 1 16 . 1 1 62 62 TYR H H 62 8.622 8.622 8.122 0.500 25439 11596 1 16 . 1 1 63 63 ILE N N 63 119.789 119.789 119.117 0.672 25439 11597 1 16 . 1 1 63 63 ILE HA H 63 3.492 3.492 3.819 -0.327 25439 11598 1 16 . 1 1 63 63 ILE CA C 63 65.693 65.693 65.515 0.178 25439 11599 1 16 . 1 1 63 63 ILE CB C 63 38.023 38.023 38.366 -0.343 25439 11600 1 16 . 1 1 63 63 ILE H H 63 7.588 7.588 8.140 -0.552 25439 11601 1 16 . 1 1 64 64 TYR N N 64 120.485 120.485 120.561 -0.076 25439 11602 1 16 . 1 1 64 64 TYR HA H 64 4.577 4.577 4.411 0.166 25439 11603 1 16 . 1 1 64 64 TYR CA C 64 61.759 61.759 61.428 0.330 25439 11604 1 16 . 1 1 64 64 TYR CB C 64 39.772 39.772 38.457 1.315 25439 11605 1 16 . 1 1 64 64 TYR H H 64 9.166 9.166 9.193 -0.027 25439 11606 1 16 . 1 1 65 65 THR N N 65 117.072 117.072 115.339 1.733 25439 11607 1 16 . 1 1 65 65 THR HA H 65 3.562 3.562 4.068 -0.506 25439 11608 1 16 . 1 1 65 65 THR CA C 65 67.016 67.016 65.977 1.040 25439 11609 1 16 . 1 1 65 65 THR CB C 65 68.711 68.711 69.253 -0.542 25439 11610 1 16 . 1 1 65 65 THR H H 65 8.987 8.987 8.224 0.763 25439 11611 1 16 . 1 1 66 66 LEU N N 66 122.107 122.107 121.635 0.472 25439 11612 1 16 . 1 1 66 66 LEU HA H 66 3.782 3.782 4.274 -0.492 25439 11613 1 16 . 1 1 66 66 LEU CA C 66 58.476 58.476 58.078 0.398 25439 11614 1 16 . 1 1 66 66 LEU CB C 66 43.183 43.183 40.967 2.216 25439 11615 1 16 . 1 1 66 66 LEU H H 66 8.286 8.286 7.670 0.616 25439 11616 1 16 . 1 1 67 67 TYR N N 67 115.264 115.264 119.136 -3.872 25439 11617 1 16 . 1 1 67 67 TYR HA H 67 4.344 4.344 4.105 0.239 25439 11618 1 16 . 1 1 67 67 TYR CA C 67 60.830 60.830 61.491 -0.661 25439 11619 1 16 . 1 1 67 67 TYR CB C 67 40.376 40.376 39.442 0.934 25439 11620 1 16 . 1 1 67 67 TYR H H 67 7.983 7.983 8.481 -0.498 25439 11621 1 16 . 1 1 68 68 TYR N N 68 113.945 113.945 116.429 -2.484 25439 11622 1 16 . 1 1 68 68 TYR HA H 68 3.699 3.699 4.196 -0.497 25439 11623 1 16 . 1 1 68 68 TYR CA C 68 62.030 62.030 60.288 1.742 25439 11624 1 16 . 1 1 68 68 TYR CB C 68 38.046 38.046 38.701 -0.655 25439 11625 1 16 . 1 1 68 68 TYR H H 68 8.297 8.297 7.608 0.689 25439 11626 1 16 . 1 1 69 69 LYS N N 69 114.346 114.346 118.451 -4.105 25439 11627 1 16 . 1 1 69 69 LYS HA H 69 4.564 4.564 4.291 0.273 25439 11628 1 16 . 1 1 69 69 LYS CA C 69 56.821 56.821 56.652 0.169 25439 11629 1 16 . 1 1 69 69 LYS CB C 69 31.980 31.980 33.419 -1.439 25439 11630 1 16 . 1 1 69 69 LYS H H 69 7.084 7.084 7.524 -0.440 25439 11631 1 16 . 1 1 70 70 ARG N N 70 114.676 114.676 119.682 -5.006 25439 11632 1 16 . 1 1 70 70 ARG HA H 70 4.251 4.251 4.124 0.127 25439 11633 1 16 . 1 1 70 70 ARG CA C 70 56.314 56.314 56.878 -0.564 25439 11634 1 16 . 1 1 70 70 ARG CB C 70 31.128 31.128 30.415 0.713 25439 11635 1 16 . 1 1 70 70 ARG H H 70 8.178 8.178 8.054 0.124 25439 11636 1 16 . 1 1 71 71 LYS N N 71 115.371 115.371 115.527 -0.156 25439 11637 1 16 . 1 1 71 71 LYS HA H 71 4.036 4.036 3.799 0.237 25439 11638 1 16 . 1 1 71 71 LYS CA C 71 57.121 57.121 57.248 -0.127 25439 11639 1 16 . 1 1 71 71 LYS CB C 71 28.897 28.897 30.256 -1.359 25439 11640 1 16 . 1 1 71 71 LYS H H 71 6.843 6.843 7.775 -0.932 25439 11641 1 16 . 1 1 72 72 ALA N N 72 117.701 117.701 121.626 -3.925 25439 11642 1 16 . 1 1 72 72 ALA HA H 72 4.395 4.395 4.436 -0.041 25439 11643 1 16 . 1 1 72 72 ALA CA C 72 52.597 52.597 51.786 0.811 25439 11644 1 16 . 1 1 72 72 ALA CB C 72 21.560 21.560 19.783 1.777 25439 11645 1 16 . 1 1 72 72 ALA H H 72 8.560 8.560 7.651 0.909 25439 11646 1 16 . 1 1 73 73 ILE N N 73 107.605 107.605 117.586 -9.981 25439 11647 1 16 . 1 1 73 73 ILE CB C 73 42.724 42.724 41.029 1.695 25439 11648 1 16 . 1 1 73 73 ILE H H 73 7.074 7.074 7.497 -0.423 25439 11649 1 16 . 1 1 74 74 SER N N 74 118.425 118.425 117.601 0.824 25439 11650 1 16 . 1 1 74 74 SER HA H 74 4.484 4.484 4.911 -0.427 25439 11651 1 16 . 1 1 74 74 SER CA C 74 57.082 57.082 57.352 -0.270 25439 11652 1 16 . 1 1 74 74 SER CB C 74 65.396 65.396 65.054 0.342 25439 11653 1 16 . 1 1 74 74 SER H H 74 8.797 8.797 8.430 0.367 25439 11654 1 16 . 1 1 75 75 LYS N N 75 121.891 121.891 125.339 -3.448 25439 11655 1 16 . 1 1 75 75 LYS HA H 75 3.851 3.851 4.226 -0.375 25439 11656 1 16 . 1 1 75 75 LYS CA C 75 59.624 59.624 60.137 -0.513 25439 11657 1 16 . 1 1 75 75 LYS CB C 75 32.368 32.368 32.439 -0.071 25439 11658 1 16 . 1 1 75 75 LYS H H 75 9.024 9.024 9.150 -0.126 25439 11659 1 16 . 1 1 76 76 ASP N N 76 115.908 115.908 118.643 -2.735 25439 11660 1 16 . 1 1 76 76 ASP HA H 76 4.423 4.423 4.396 0.027 25439 11661 1 16 . 1 1 76 76 ASP CA C 76 57.362 57.362 57.476 -0.114 25439 11662 1 16 . 1 1 76 76 ASP CB C 76 40.391 40.391 40.316 0.075 25439 11663 1 16 . 1 1 76 76 ASP H H 76 8.161 8.161 8.603 -0.442 25439 11664 1 16 . 1 1 77 77 LEU N N 77 121.705 121.705 121.422 0.283 25439 11665 1 16 . 1 1 77 77 LEU HA H 77 4.180 4.180 4.112 0.068 25439 11666 1 16 . 1 1 77 77 LEU CA C 77 57.818 57.818 57.719 0.099 25439 11667 1 16 . 1 1 77 77 LEU H H 77 8.345 8.345 7.754 0.591 25439 11668 1 16 . 1 1 78 78 TYR N N 78 121.511 121.511 119.870 1.641 25439 11669 1 16 . 1 1 78 78 TYR HA H 78 3.789 3.789 3.957 -0.168 25439 11670 1 16 . 1 1 78 78 TYR CA C 78 62.857 62.857 60.496 2.361 25439 11671 1 16 . 1 1 78 78 TYR CB C 78 38.369 38.369 37.687 0.682 25439 11672 1 16 . 1 1 78 78 TYR H H 78 8.598 8.598 8.693 -0.095 25439 11673 1 16 . 1 1 79 79 ASP N N 79 117.189 117.189 119.799 -2.610 25439 11674 1 16 . 1 1 79 79 ASP HA H 79 4.066 4.066 3.994 0.072 25439 11675 1 16 . 1 1 79 79 ASP CA C 79 57.219 57.219 57.678 -0.459 25439 11676 1 16 . 1 1 79 79 ASP CB C 79 40.003 40.003 40.737 -0.734 25439 11677 1 16 . 1 1 79 79 ASP H H 79 9.106 9.106 8.546 0.560 25439 11678 1 16 . 1 1 80 80 TRP N N 80 123.400 123.400 121.582 1.818 25439 11679 1 16 . 1 1 80 80 TRP HA H 80 4.160 4.160 4.134 0.026 25439 11680 1 16 . 1 1 80 80 TRP CA C 80 62.368 62.368 61.467 0.901 25439 11681 1 16 . 1 1 80 80 TRP CB C 80 29.969 29.969 29.411 0.558 25439 11682 1 16 . 1 1 80 80 TRP H H 80 7.931 7.931 8.335 -0.404 25439 11683 1 16 . 1 1 81 81 LEU N N 81 119.674 119.674 118.996 0.678 25439 11684 1 16 . 1 1 81 81 LEU HA H 81 3.971 3.971 2.705 1.266 25439 11685 1 16 . 1 1 81 81 LEU CA C 81 58.294 58.294 57.617 0.677 25439 11686 1 16 . 1 1 81 81 LEU CB C 81 41.818 41.818 41.586 0.232 25439 11687 1 16 . 1 1 81 81 LEU H H 81 8.814 8.814 7.901 0.913 25439 11688 1 16 . 1 1 82 82 ILE N N 82 118.746 118.746 118.097 0.649 25439 11689 1 16 . 1 1 82 82 ILE HA H 82 3.861 3.861 3.739 0.122 25439 11690 1 16 . 1 1 82 82 ILE CA C 82 62.734 62.734 63.032 -0.298 25439 11691 1 16 . 1 1 82 82 ILE CB C 82 36.236 36.236 36.347 -0.111 25439 11692 1 16 . 1 1 82 82 ILE H H 82 7.886 7.886 7.605 0.281 25439 11693 1 16 . 1 1 83 83 LYS N N 83 124.819 124.819 119.393 5.426 25439 11694 1 16 . 1 1 83 83 LYS HA H 83 3.911 3.911 4.106 -0.195 25439 11695 1 16 . 1 1 83 83 LYS CA C 83 59.643 59.643 57.995 1.648 25439 11696 1 16 . 1 1 83 83 LYS CB C 83 32.027 32.027 32.909 -0.882 25439 11697 1 16 . 1 1 83 83 LYS H H 83 8.224 8.224 7.605 0.619 25439 11698 1 16 . 1 1 84 84 GLU N N 84 115.404 115.404 118.374 -2.970 25439 11699 1 16 . 1 1 84 84 GLU HA H 84 3.841 3.841 4.229 -0.388 25439 11700 1 16 . 1 1 84 84 GLU CA C 84 55.582 55.582 55.135 0.447 25439 11701 1 16 . 1 1 84 84 GLU CB C 84 29.459 29.459 28.674 0.785 25439 11702 1 16 . 1 1 84 84 GLU H H 84 8.138 8.138 7.293 0.845 25439 11703 1 16 . 1 1 85 85 LYS N N 85 111.563 111.563 118.075 -6.512 25439 11704 1 16 . 1 1 85 85 LYS HA H 85 3.820 3.820 3.993 -0.173 25439 11705 1 16 . 1 1 85 85 LYS CA C 85 57.890 57.890 57.488 0.402 25439 11706 1 16 . 1 1 85 85 LYS CB C 85 28.005 28.005 30.242 -2.237 25439 11707 1 16 . 1 1 85 85 LYS H H 85 7.719 7.719 7.987 -0.268 25439 11708 1 16 . 1 1 86 86 TYR N N 86 116.916 116.916 118.723 -1.807 25439 11709 1 16 . 1 1 86 86 TYR HA H 86 4.137 4.137 4.336 -0.199 25439 11710 1 16 . 1 1 86 86 TYR CA C 86 61.228 61.228 58.297 2.930 25439 11711 1 16 . 1 1 86 86 TYR CB C 86 39.535 39.535 40.491 -0.956 25439 11712 1 16 . 1 1 86 86 TYR H H 86 8.521 8.521 8.246 0.275 25439 11713 1 16 . 1 1 87 87 ALA N N 87 113.715 113.715 118.280 -4.565 25439 11714 1 16 . 1 1 87 87 ALA HA H 87 4.738 4.738 4.344 0.394 25439 11715 1 16 . 1 1 87 87 ALA CA C 87 49.121 49.121 50.565 -1.444 25439 11716 1 16 . 1 1 87 87 ALA CB C 87 23.295 23.295 21.657 1.638 25439 11717 1 16 . 1 1 87 87 ALA H H 87 6.959 6.959 7.519 -0.560 25439 11718 1 16 . 1 1 88 88 ASP N N 88 119.344 119.344 119.798 -0.454 25439 11719 1 16 . 1 1 88 88 ASP HA H 88 4.544 4.544 4.934 -0.390 25439 11720 1 16 . 1 1 88 88 ASP CA C 88 52.714 52.714 52.977 -0.264 25439 11721 1 16 . 1 1 88 88 ASP CB C 88 41.845 41.845 41.699 0.146 25439 11722 1 16 . 1 1 88 88 ASP H H 88 7.870 7.870 8.782 -0.912 25439 11723 1 16 . 1 1 89 89 LYS N N 89 125.312 125.312 126.610 -1.298 25439 11724 1 16 . 1 1 89 89 LYS HA H 89 3.834 3.834 4.036 -0.202 25439 11725 1 16 . 1 1 89 89 LYS CA C 89 59.409 59.409 59.806 -0.397 25439 11726 1 16 . 1 1 89 89 LYS CB C 89 32.848 32.848 32.512 0.336 25439 11727 1 16 . 1 1 89 89 LYS H H 89 8.467 8.467 8.746 -0.279 25439 11728 1 16 . 1 1 90 90 LEU N N 90 119.899 119.899 120.227 -0.328 25439 11729 1 16 . 1 1 90 90 LEU HA H 90 4.023 4.023 4.011 0.012 25439 11730 1 16 . 1 1 90 90 LEU CA C 90 57.049 57.049 57.837 -0.788 25439 11731 1 16 . 1 1 90 90 LEU CB C 90 41.099 41.099 41.662 -0.563 25439 11732 1 16 . 1 1 90 90 LEU H H 90 8.076 8.076 7.919 0.157 25439 11733 1 16 . 1 1 91 91 LEU N N 91 123.148 123.148 120.339 2.809 25439 11734 1 16 . 1 1 91 91 LEU HA H 91 3.498 3.498 3.713 -0.215 25439 11735 1 16 . 1 1 91 91 LEU CA C 91 56.971 56.971 57.585 -0.614 25439 11736 1 16 . 1 1 91 91 LEU CB C 91 41.823 41.823 41.645 0.178 25439 11737 1 16 . 1 1 91 91 LEU H H 91 7.120 7.120 8.015 -0.895 25439 11738 1 16 . 1 1 92 92 ILE N N 92 116.780 116.780 118.804 -2.024 25439 11739 1 16 . 1 1 92 92 ILE HA H 92 3.265 3.265 3.603 -0.338 25439 11740 1 16 . 1 1 92 92 ILE CA C 92 65.178 65.178 65.404 -0.227 25439 11741 1 16 . 1 1 92 92 ILE CB C 92 38.209 38.209 37.506 0.703 25439 11742 1 16 . 1 1 92 92 ILE H H 92 7.384 7.384 8.229 -0.845 25439 11743 1 16 . 1 1 93 93 ALA N N 93 117.061 117.061 122.275 -5.214 25439 11744 1 16 . 1 1 93 93 ALA HA H 93 3.930 3.930 3.898 0.032 25439 11745 1 16 . 1 1 93 93 ALA CA C 93 54.839 54.839 55.435 -0.596 25439 11746 1 16 . 1 1 93 93 ALA CB C 93 18.125 18.125 18.096 0.029 25439 11747 1 16 . 1 1 93 93 ALA H H 93 7.437 7.437 8.412 -0.975 25439 11748 1 16 . 1 1 94 94 LYS N N 94 116.036 116.036 118.705 -2.669 25439 11749 1 16 . 1 1 94 94 LYS HA H 94 3.803 3.803 3.512 0.291 25439 11750 1 16 . 1 1 94 94 LYS CA C 94 56.945 56.945 58.394 -1.449 25439 11751 1 16 . 1 1 94 94 LYS CB C 94 31.047 31.047 31.497 -0.450 25439 11752 1 16 . 1 1 94 94 LYS H H 94 7.012 7.012 7.428 -0.416 25439 11753 1 16 . 1 1 95 95 TRP N N 95 118.700 118.700 116.635 2.065 25439 11754 1 16 . 1 1 95 95 TRP HA H 95 4.814 4.814 4.510 0.304 25439 11755 1 16 . 1 1 95 95 TRP CA C 95 57.136 57.136 59.259 -2.123 25439 11756 1 16 . 1 1 95 95 TRP CB C 95 28.171 28.171 29.050 -0.879 25439 11757 1 16 . 1 1 95 95 TRP H H 95 7.611 7.611 7.416 0.195 25439 11758 1 16 . 1 1 96 96 ARG N N 96 113.031 113.031 116.291 -3.260 25439 11759 1 16 . 1 1 96 96 ARG HA H 96 4.233 4.233 4.265 -0.032 25439 11760 1 16 . 1 1 96 96 ARG CA C 96 56.234 56.234 58.029 -1.795 25439 11761 1 16 . 1 1 96 96 ARG CB C 96 30.245 30.245 30.596 -0.351 25439 11762 1 16 . 1 1 96 96 ARG H H 96 7.066 7.066 7.455 -0.389 25439 11763 1 16 . 1 1 97 97 LYS N N 97 123.252 123.252 119.314 3.938 25439 11764 1 16 . 1 1 97 97 LYS HA H 97 4.634 4.634 4.288 0.346 25439 11765 1 16 . 1 1 97 97 LYS CA C 97 54.937 54.937 57.112 -2.175 25439 11766 1 16 . 1 1 97 97 LYS CB C 97 34.166 34.166 32.839 1.327 25439 11767 1 16 . 1 1 97 97 LYS H H 97 8.467 8.467 8.111 0.356 25439 11768 1 16 . 1 1 98 98 THR N N 98 119.993 119.993 112.241 7.752 25439 11769 1 16 . 1 1 98 98 THR HA H 98 4.224 4.224 4.471 -0.247 25439 11770 1 16 . 1 1 98 98 THR CA C 98 64.670 64.670 61.829 2.841 25439 11771 1 16 . 1 1 98 98 THR CB C 98 69.200 69.200 69.601 -0.401 25439 11772 1 16 . 1 1 98 98 THR H H 98 8.329 8.329 8.195 0.134 25439 11773 1 16 . 1 1 99 99 GLY N N 99 116.645 116.645 112.624 4.021 25439 11774 1 16 . 1 1 99 99 GLY CA C 99 45.047 45.047 44.845 0.202 25439 11775 1 16 . 1 1 99 99 GLY H H 99 9.273 9.273 8.771 0.502 25439 11776 1 16 . 1 1 100 100 TYR N N 100 120.784 120.784 119.866 0.918 25439 11777 1 16 . 1 1 100 100 TYR HA H 100 4.704 4.704 4.752 -0.048 25439 11778 1 16 . 1 1 100 100 TYR CA C 100 57.697 57.697 56.266 1.431 25439 11779 1 16 . 1 1 100 100 TYR CB C 100 39.413 39.413 37.209 2.204 25439 11780 1 16 . 1 1 100 100 TYR H H 100 8.457 8.457 8.041 0.416 25439 11781 1 16 . 1 1 101 101 GLU N N 101 119.482 119.482 122.801 -3.319 25439 11782 1 16 . 1 1 101 101 GLU HA H 101 4.601 4.601 4.582 0.019 25439 11783 1 16 . 1 1 101 101 GLU CA C 101 61.207 61.207 56.953 4.253 25439 11784 1 16 . 1 1 101 101 GLU CB C 101 29.648 29.648 30.663 -1.015 25439 11785 1 16 . 1 1 101 101 GLU H H 101 9.836 9.836 8.642 1.194 25439 11786 1 16 . 1 1 102 102 LYS N N 102 115.179 115.179 121.195 -6.016 25439 11787 1 16 . 1 1 102 102 LYS HA H 102 4.295 4.295 4.727 -0.432 25439 11788 1 16 . 1 1 102 102 LYS CA C 102 54.207 54.207 55.453 -1.246 25439 11789 1 16 . 1 1 102 102 LYS CB C 102 32.489 32.489 32.624 -0.135 25439 11790 1 16 . 1 1 102 102 LYS H H 102 8.291 8.291 7.896 0.395 25439 11791 1 16 . 1 1 103 103 LEU N N 103 119.637 119.637 117.515 2.122 25439 11792 1 16 . 1 1 103 103 LEU HA H 103 4.385 4.385 5.019 -0.634 25439 11793 1 16 . 1 1 103 103 LEU CA C 103 56.549 56.549 53.819 2.730 25439 11794 1 16 . 1 1 103 103 LEU CB C 103 43.864 43.864 44.575 -0.711 25439 11795 1 16 . 1 1 103 103 LEU H H 103 7.642 7.642 7.765 -0.123 25439 11796 1 16 . 1 1 104 104 CYS N N 104 129.651 129.651 116.580 13.071 25439 11797 1 16 . 1 1 104 104 CYS HA H 104 4.498 4.498 5.153 -0.655 25439 11798 1 16 . 1 1 104 104 CYS CA C 104 58.076 58.076 58.531 -0.455 25439 11799 1 16 . 1 1 104 104 CYS CB C 104 32.301 32.301 28.225 4.076 25439 11800 1 16 . 1 1 104 104 CYS H H 104 8.638 8.638 8.903 -0.265 25439 11801 1 16 . 1 1 105 105 CYS N N 105 120.206 120.206 118.130 2.076 25439 11802 1 16 . 1 1 105 105 CYS HA H 105 4.806 4.806 4.815 -0.009 25439 11803 1 16 . 1 1 105 105 CYS CA C 105 58.271 58.271 56.993 1.278 25439 11804 1 16 . 1 1 105 105 CYS CB C 105 32.062 32.062 30.158 1.904 25439 11805 1 16 . 1 1 105 105 CYS H H 105 8.158 8.158 7.943 0.215 25439 11806 1 16 . 1 1 106 106 LEU N N 106 115.513 115.513 120.995 -5.482 25439 11807 1 16 . 1 1 106 106 LEU HA H 106 4.054 4.054 4.245 -0.191 25439 11808 1 16 . 1 1 106 106 LEU CA C 106 56.110 56.110 56.762 -0.652 25439 11809 1 16 . 1 1 106 106 LEU CB C 106 41.227 41.227 42.326 -1.099 25439 11810 1 16 . 1 1 106 106 LEU H H 106 8.466 8.466 8.345 0.121 25439 11811 1 16 . 1 1 107 107 ARG N N 107 122.711 122.711 118.851 3.860 25439 11812 1 16 . 1 1 107 107 ARG HA H 107 3.993 3.993 4.314 -0.321 25439 11813 1 16 . 1 1 107 107 ARG CA C 107 58.311 58.311 56.318 1.993 25439 11814 1 16 . 1 1 107 107 ARG CB C 107 28.965 28.965 29.525 -0.560 25439 11815 1 16 . 1 1 107 107 ARG H H 107 8.131 8.131 8.135 -0.004 25439 11816 1 16 . 1 1 108 108 CYS N N 108 119.055 119.055 118.030 1.025 25439 11817 1 16 . 1 1 108 108 CYS HA H 108 4.101 4.101 4.727 -0.626 25439 11818 1 16 . 1 1 108 108 CYS CA C 108 63.936 63.936 57.441 6.495 25439 11819 1 16 . 1 1 108 108 CYS CB C 108 30.934 30.934 27.293 3.641 25439 11820 1 16 . 1 1 108 108 CYS H H 108 8.010 8.010 7.892 0.118 25439 11821 1 16 . 1 1 109 109 ILE N N 109 107.315 107.315 113.474 -6.159 25439 11822 1 16 . 1 1 109 109 ILE HA H 109 4.684 4.684 4.437 0.247 25439 11823 1 16 . 1 1 109 109 ILE CA C 109 60.483 60.483 60.824 -0.341 25439 11824 1 16 . 1 1 109 109 ILE CB C 109 38.320 38.320 39.032 -0.712 25439 11825 1 16 . 1 1 109 109 ILE H H 109 7.105 7.105 7.491 -0.386 25439 11826 1 16 . 1 1 110 110 GLN N N 110 122.468 122.468 121.985 0.483 25439 11827 1 16 . 1 1 110 110 GLN HA H 110 4.268 4.268 4.277 -0.009 25439 11828 1 16 . 1 1 110 110 GLN CA C 110 55.981 55.981 56.302 -0.321 25439 11829 1 16 . 1 1 110 110 GLN CB C 110 29.656 29.656 27.101 2.555 25439 11830 1 16 . 1 1 110 110 GLN H H 110 7.156 7.156 8.524 -1.368 25439 11831 1 16 . 1 1 111 111 LYS N N 111 124.650 124.650 122.105 2.545 25439 11832 1 16 . 1 1 111 111 LYS HA H 111 4.246 4.246 4.390 -0.144 25439 11833 1 16 . 1 1 111 111 LYS CA C 111 56.546 56.546 56.047 0.499 25439 11834 1 16 . 1 1 111 111 LYS CB C 111 32.846 32.846 34.352 -1.506 25439 11835 1 16 . 1 1 111 111 LYS H H 111 8.522 8.522 8.284 0.238 25439 11836 1 16 . 1 1 112 112 ASN N N 112 120.972 120.972 116.461 4.511 25439 11837 1 16 . 1 1 112 112 ASN HA H 112 4.778 4.778 4.429 0.349 25439 11838 1 16 . 1 1 112 112 ASN CA C 112 52.902 52.902 54.187 -1.284 25439 11839 1 16 . 1 1 112 112 ASN CB C 112 39.328 39.328 38.633 0.695 25439 11840 1 16 . 1 1 112 112 ASN H H 112 8.360 8.360 8.354 0.006 25439 11841 1 16 . 1 1 113 113 GLU N N 113 121.710 121.710 120.981 0.729 25439 11842 1 16 . 1 1 113 113 GLU HA H 113 4.248 4.248 4.520 -0.272 25439 11843 1 16 . 1 1 113 113 GLU CA C 113 58.611 58.611 56.061 2.550 25439 11844 1 16 . 1 1 113 113 GLU CB C 113 29.590 29.590 29.952 -0.362 25439 11845 1 16 . 1 1 113 113 GLU H H 113 9.023 9.023 8.639 0.384 25439 11846 1 16 . 1 1 114 114 THR N N 114 112.186 112.186 119.066 -6.880 25439 11847 1 16 . 1 1 114 114 THR HA H 114 4.321 4.321 4.472 -0.151 25439 11848 1 16 . 1 1 114 114 THR CA C 114 63.161 63.161 62.262 0.899 25439 11849 1 16 . 1 1 114 114 THR CB C 114 69.481 69.481 69.858 -0.377 25439 11850 1 16 . 1 1 114 114 THR H H 114 8.112 8.112 8.693 -0.581 25439 11851 1 16 . 1 1 115 115 ASN N N 115 119.112 119.112 121.583 -2.471 25439 11852 1 16 . 1 1 115 115 ASN HA H 115 4.829 4.829 5.050 -0.221 25439 11853 1 16 . 1 1 115 115 ASN CA C 115 53.110 53.110 52.536 0.574 25439 11854 1 16 . 1 1 115 115 ASN CB C 115 38.659 38.659 39.659 -1.000 25439 11855 1 16 . 1 1 115 115 ASN H H 115 8.047 8.047 8.479 -0.432 25439 11856 1 16 . 1 1 116 116 ASN N N 116 117.175 117.175 116.801 0.374 25439 11857 1 16 . 1 1 116 116 ASN HA H 116 4.615 4.615 4.877 -0.262 25439 11858 1 16 . 1 1 116 116 ASN CA C 116 53.965 53.965 52.223 1.742 25439 11859 1 16 . 1 1 116 116 ASN CB C 116 38.173 38.173 39.684 -1.511 25439 11860 1 16 . 1 1 116 116 ASN H H 116 8.364 8.364 8.412 -0.048 25439 11861 1 16 . 1 1 117 117 GLY N N 117 107.294 107.294 109.748 -2.454 25439 11862 1 16 . 1 1 117 117 GLY CA C 117 45.882 45.882 44.850 1.032 25439 11863 1 16 . 1 1 117 117 GLY H H 117 8.264 8.264 8.523 -0.259 25439 11864 1 16 . 1 1 118 118 SER N N 118 115.475 115.475 117.118 -1.643 25439 11865 1 16 . 1 1 118 118 SER HA H 118 4.586 4.586 4.720 -0.134 25439 11866 1 16 . 1 1 118 118 SER CA C 118 57.974 57.974 57.603 0.370 25439 11867 1 16 . 1 1 118 118 SER CB C 118 64.479 64.479 65.596 -1.117 25439 11868 1 16 . 1 1 118 118 SER H H 118 7.905 7.905 8.184 -0.279 25439 11869 1 16 . 1 1 119 119 THR N N 119 111.360 111.360 115.442 -4.082 25439 11870 1 16 . 1 1 119 119 THR HA H 119 4.450 4.450 4.564 -0.114 25439 11871 1 16 . 1 1 119 119 THR CA C 119 61.215 61.215 61.218 -0.003 25439 11872 1 16 . 1 1 119 119 THR CB C 119 70.569 70.569 70.814 -0.245 25439 11873 1 16 . 1 1 119 119 THR H H 119 8.044 8.044 8.212 -0.168 25439 11874 1 16 . 1 1 120 120 CYS N N 120 122.708 122.708 120.945 1.763 25439 11875 1 16 . 1 1 120 120 CYS HA H 120 4.255 4.255 4.741 -0.486 25439 11876 1 16 . 1 1 120 120 CYS CA C 120 61.469 61.469 57.783 3.686 25439 11877 1 16 . 1 1 120 120 CYS CB C 120 30.892 30.892 29.304 1.588 25439 11878 1 16 . 1 1 120 120 CYS H H 120 8.045 8.045 8.530 -0.485 25439 11879 1 16 . 1 1 121 121 ILE N N 121 132.463 132.463 123.809 8.654 25439 11880 1 16 . 1 1 121 121 ILE HA H 121 4.025 4.025 3.839 0.186 25439 11881 1 16 . 1 1 121 121 ILE CA C 121 63.353 63.353 63.100 0.253 25439 11882 1 16 . 1 1 121 121 ILE CB C 121 38.222 38.222 37.661 0.561 25439 11883 1 16 . 1 1 121 121 ILE H H 121 8.237 8.237 8.401 -0.164 25439 11884 1 16 . 1 1 122 122 CYS N N 122 123.931 123.931 117.510 6.421 25439 11885 1 16 . 1 1 122 122 CYS HA H 122 4.233 4.233 4.198 0.035 25439 11886 1 16 . 1 1 122 122 CYS CA C 122 60.230 60.230 60.606 -0.376 25439 11887 1 16 . 1 1 122 122 CYS CB C 122 30.602 30.602 25.743 4.859 25439 11888 1 16 . 1 1 122 122 CYS H H 122 9.355 9.355 7.636 1.719 25439 11889 1 16 . 1 1 123 123 ARG N N 123 119.561 119.561 121.693 -2.132 25439 11890 1 16 . 1 1 123 123 ARG HA H 123 4.150 4.150 4.325 -0.175 25439 11891 1 16 . 1 1 123 123 ARG CA C 123 53.177 53.177 58.017 -4.840 25439 11892 1 16 . 1 1 123 123 ARG CB C 123 27.961 27.961 30.422 -2.461 25439 11893 1 16 . 1 1 123 123 ARG H H 123 7.677 7.677 7.789 -0.112 25439 11894 1 16 . 1 1 124 124 VAL N N 124 122.794 122.794 121.210 1.584 25439 11895 1 16 . 1 1 124 124 VAL HA H 124 4.081 4.081 4.085 -0.004 25439 11896 1 16 . 1 1 124 124 VAL CA C 124 60.647 60.647 60.922 -0.276 25439 11897 1 16 . 1 1 124 124 VAL CB C 124 32.857 32.857 31.897 0.960 25439 11898 1 16 . 1 1 124 124 VAL H H 124 7.578 7.578 7.579 -0.001 25439 11899 1 16 . 1 1 125 125 PRO HA H 125 4.263 4.263 4.488 -0.225 25439 11900 1 16 . 1 1 125 125 PRO CA C 125 63.268 63.268 62.494 0.774 25439 11901 1 16 . 1 1 125 125 PRO CB C 125 32.379 32.379 32.738 -0.359 25439 11902 1 16 . 1 1 126 126 ARG N N 126 128.350 128.350 119.038 9.312 25439 11903 1 16 . 1 1 126 126 ARG HA H 126 3.912 3.912 4.082 -0.171 25439 11904 1 16 . 1 1 126 126 ARG CA C 126 59.653 59.653 59.005 0.648 25439 11905 1 16 . 1 1 126 126 ARG CB C 126 29.339 29.339 29.801 -0.462 25439 11906 1 16 . 1 1 126 126 ARG H H 126 9.534 9.534 8.913 0.621 25439 11907 1 16 . 1 1 127 127 ALA N N 127 119.169 119.169 122.098 -2.929 25439 11908 1 16 . 1 1 127 127 ALA HA H 127 4.192 4.192 4.019 0.173 25439 11909 1 16 . 1 1 127 127 ALA CA C 127 55.227 55.227 55.166 0.061 25439 11910 1 16 . 1 1 127 127 ALA CB C 127 18.363 18.363 17.809 0.554 25439 11911 1 16 . 1 1 127 127 ALA H H 127 9.263 9.263 8.613 0.650 25439 11912 1 16 . 1 1 128 128 GLN N N 128 117.345 117.345 118.053 -0.708 25439 11913 1 16 . 1 1 128 128 GLN HA H 128 4.209 4.209 4.105 0.104 25439 11914 1 16 . 1 1 128 128 GLN CA C 128 58.506 58.506 58.733 -0.227 25439 11915 1 16 . 1 1 128 128 GLN CB C 128 28.220 28.220 28.221 -0.001 25439 11916 1 16 . 1 1 128 128 GLN H H 128 7.448 7.448 8.455 -1.007 25439 11917 1 16 . 1 1 129 129 LEU N N 129 120.561 120.561 120.671 -0.110 25439 11918 1 16 . 1 1 129 129 LEU HA H 129 4.088 4.088 3.945 0.143 25439 11919 1 16 . 1 1 129 129 LEU CA C 129 57.952 57.952 58.012 -0.060 25439 11920 1 16 . 1 1 129 129 LEU CB C 129 41.817 41.817 41.878 -0.061 25439 11921 1 16 . 1 1 129 129 LEU H H 129 7.622 7.622 7.544 0.078 25439 11922 1 16 . 1 1 130 130 GLU N N 130 119.122 119.122 118.802 0.320 25439 11923 1 16 . 1 1 130 130 GLU HA H 130 3.956 3.956 3.884 0.072 25439 11924 1 16 . 1 1 130 130 GLU CA C 130 59.353 59.353 59.835 -0.482 25439 11925 1 16 . 1 1 130 130 GLU CB C 130 29.337 29.337 29.444 -0.107 25439 11926 1 16 . 1 1 130 130 GLU H H 130 8.656 8.656 8.623 0.033 25439 11927 1 16 . 1 1 131 131 GLU N N 131 121.469 121.469 118.971 2.498 25439 11928 1 16 . 1 1 131 131 GLU HA H 131 4.163 4.163 4.010 0.153 25439 11929 1 16 . 1 1 131 131 GLU CA C 131 59.288 59.288 59.605 -0.317 25439 11930 1 16 . 1 1 131 131 GLU CB C 131 29.422 29.422 29.384 0.038 25439 11931 1 16 . 1 1 131 131 GLU H H 131 7.922 7.922 7.799 0.123 25439 11932 1 16 . 1 1 132 132 GLU N N 132 119.241 119.241 119.043 0.198 25439 11933 1 16 . 1 1 132 132 GLU HA H 132 3.998 3.998 4.015 -0.017 25439 11934 1 16 . 1 1 132 132 GLU CA C 132 59.327 59.327 59.169 0.158 25439 11935 1 16 . 1 1 132 132 GLU CB C 132 29.421 29.421 29.381 0.040 25439 11936 1 16 . 1 1 132 132 GLU H H 132 8.099 8.099 7.619 0.480 25439 11937 1 16 . 1 1 133 133 ALA N N 133 121.302 121.302 121.353 -0.051 25439 11938 1 16 . 1 1 133 133 ALA HA H 133 4.053 4.053 4.050 0.003 25439 11939 1 16 . 1 1 133 133 ALA CA C 133 54.973 54.973 55.102 -0.129 25439 11940 1 16 . 1 1 133 133 ALA CB C 133 18.154 18.154 18.269 -0.115 25439 11941 1 16 . 1 1 133 133 ALA H H 133 7.795 7.795 7.538 0.257 25439 11942 1 16 . 1 1 134 134 ARG N N 134 118.757 118.757 117.784 0.973 25439 11943 1 16 . 1 1 134 134 ARG HA H 134 4.143 4.143 4.070 0.073 25439 11944 1 16 . 1 1 134 134 ARG CA C 134 59.438 59.438 58.995 0.443 25439 11945 1 16 . 1 1 134 134 ARG CB C 134 30.148 30.148 30.043 0.105 25439 11946 1 16 . 1 1 134 134 ARG H H 134 8.145 8.145 7.884 0.261 25439 11947 1 16 . 1 1 135 135 LYS N N 135 119.496 119.496 119.176 0.320 25439 11948 1 16 . 1 1 135 135 LYS HA H 135 4.073 4.073 4.178 -0.105 25439 11949 1 16 . 1 1 135 135 LYS CA C 135 59.327 59.327 58.676 0.651 25439 11950 1 16 . 1 1 135 135 LYS CB C 135 32.539 32.539 32.587 -0.048 25439 11951 1 16 . 1 1 135 135 LYS H H 135 8.036 8.036 7.516 0.520 25439 11952 1 16 . 1 1 136 136 LYS N N 136 116.645 116.645 117.860 -1.215 25439 11953 1 16 . 1 1 136 136 LYS HA H 136 4.362 4.362 4.437 -0.075 25439 11954 1 16 . 1 1 136 136 LYS CA C 136 56.575 56.575 55.394 1.181 25439 11955 1 16 . 1 1 136 136 LYS CB C 136 33.629 33.629 32.377 1.252 25439 11956 1 16 . 1 1 136 136 LYS H H 136 7.682 7.682 7.459 0.223 25439 11957 1 16 . 1 1 137 137 GLY N N 137 109.349 109.349 109.096 0.253 25439 11958 1 16 . 1 1 137 137 GLY CA C 137 46.358 46.358 46.263 0.095 25439 11959 1 16 . 1 1 137 137 GLY H H 137 8.064 8.064 7.783 0.281 25439 11960 1 16 . 1 1 138 138 THR N N 138 112.870 112.870 113.607 -0.737 25439 11961 1 16 . 1 1 138 138 THR HA H 138 4.735 4.735 4.681 0.054 25439 11962 1 16 . 1 1 138 138 THR CA C 138 59.308 59.308 60.101 -0.793 25439 11963 1 16 . 1 1 138 138 THR CB C 138 70.755 70.755 71.065 -0.310 25439 11964 1 16 . 1 1 138 138 THR H H 138 8.111 8.111 7.995 0.116 25439 11965 1 16 . 1 1 139 139 GLN N N 139 118.177 118.177 119.527 -1.350 25439 11966 1 16 . 1 1 139 139 GLN HA H 139 4.609 4.609 4.663 -0.054 25439 11967 1 16 . 1 1 139 139 GLN CA C 139 54.435 54.435 55.199 -0.764 25439 11968 1 16 . 1 1 139 139 GLN CB C 139 30.777 30.777 30.951 -0.174 25439 11969 1 16 . 1 1 139 139 GLN H H 139 8.227 8.227 8.219 0.008 25439 11970 1 16 . 1 1 140 140 VAL N N 140 123.601 123.601 120.394 3.207 25439 11971 1 16 . 1 1 140 140 VAL HA H 140 3.790 3.790 4.412 -0.622 25439 11972 1 16 . 1 1 140 140 VAL CA C 140 63.934 63.934 61.720 2.214 25439 11973 1 16 . 1 1 140 140 VAL CB C 140 32.154 32.154 33.627 -1.473 25439 11974 1 16 . 1 1 140 140 VAL H H 140 8.839 8.839 8.152 0.687 25439 11975 1 16 . 1 1 141 141 SER HA H 141 4.524 4.524 4.645 -0.121 25439 11976 1 16 . 1 1 141 141 SER CA C 141 57.841 57.841 58.395 -0.554 25439 11977 1 16 . 1 1 141 141 SER CB C 141 64.174 64.174 63.712 0.462 25439 11978 1 16 . 1 1 142 142 PHE N N 142 123.726 123.726 125.566 -1.840 25439 11979 1 16 . 1 1 142 142 PHE HA H 142 4.458 4.458 4.725 -0.267 25439 11980 1 16 . 1 1 142 142 PHE CA C 142 58.673 58.673 57.486 1.187 25439 11981 1 16 . 1 1 142 142 PHE CB C 142 40.055 40.055 41.572 -1.517 25439 11982 1 16 . 1 1 142 142 PHE H H 142 7.534 7.534 8.130 -0.596 25439 11983 1 16 . 1 1 143 143 HIS N N 143 126.548 126.548 119.914 6.634 25439 11984 1 16 . 1 1 143 143 HIS HA H 143 4.336 4.336 4.403 -0.067 25439 11985 1 16 . 1 1 143 143 HIS CA C 143 56.837 56.837 56.386 0.451 25439 11986 1 16 . 1 1 143 143 HIS CB C 143 31.949 31.949 32.907 -0.958 25439 11987 1 16 . 1 1 143 143 HIS H H 143 8.308 8.308 7.402 0.906 25439 11988 1 16 . 1 1 144 144 GLN N N 144 115.094 115.094 115.381 -0.287 25439 11989 1 16 . 1 1 144 144 GLN HA H 144 4.433 4.433 4.582 -0.149 25439 11990 1 16 . 1 1 144 144 GLN CA C 144 54.210 54.210 53.043 1.167 25439 11991 1 16 . 1 1 144 144 GLN CB C 144 32.925 32.925 32.197 0.728 25439 11992 1 16 . 1 1 144 144 GLN H H 144 7.203 7.203 6.978 0.225 25439 11993 1 16 . 1 1 145 145 CYS N N 145 123.088 123.088 118.545 4.543 25439 11994 1 16 . 1 1 145 145 CYS HA H 145 4.961 4.961 5.059 -0.098 25439 11995 1 16 . 1 1 145 145 CYS CA C 145 57.978 57.978 56.654 1.325 25439 11996 1 16 . 1 1 145 145 CYS CB C 145 33.555 33.555 29.924 3.631 25439 11997 1 16 . 1 1 145 145 CYS H H 145 8.668 8.668 8.503 0.165 25439 11998 1 16 . 1 1 146 146 VAL N N 146 113.265 113.265 117.705 -4.440 25439 11999 1 16 . 1 1 146 146 VAL HA H 146 4.238 4.238 4.169 0.069 25439 12000 1 16 . 1 1 146 146 VAL CA C 146 64.001 64.001 65.139 -1.138 25439 12001 1 16 . 1 1 146 146 VAL CB C 146 32.157 32.157 32.015 0.142 25439 12002 1 16 . 1 1 146 146 VAL H H 146 8.198 8.198 8.250 -0.052 25439 12003 1 16 . 1 1 147 147 HIS N N 147 120.556 120.556 119.321 1.235 25439 12004 1 16 . 1 1 147 147 HIS HA H 147 4.604 4.604 4.332 0.272 25439 12005 1 16 . 1 1 147 147 HIS CA C 147 58.708 58.708 58.196 0.512 25439 12006 1 16 . 1 1 147 147 HIS CB C 147 32.204 32.204 29.363 2.841 25439 12007 1 16 . 1 1 147 147 HIS H H 147 7.151 7.151 8.212 -1.061 25439 12008 1 16 . 1 1 148 148 CYS N N 148 112.110 112.110 112.143 -0.033 25439 12009 1 16 . 1 1 148 148 CYS HA H 148 4.889 4.889 4.845 0.044 25439 12010 1 16 . 1 1 148 148 CYS CA C 148 57.952 57.952 55.555 2.397 25439 12011 1 16 . 1 1 148 148 CYS CB C 148 32.956 32.956 30.261 2.695 25439 12012 1 16 . 1 1 148 148 CYS H H 148 7.413 7.413 7.281 0.132 25439 12013 1 16 . 1 1 149 149 GLY N N 149 112.797 112.797 108.171 4.626 25439 12014 1 16 . 1 1 149 149 GLY CA C 149 45.327 45.327 44.362 0.965 25439 12015 1 16 . 1 1 149 149 GLY H H 149 6.949 6.949 8.319 -1.370 25439 12016 1 16 . 1 1 150 150 CYS N N 150 127.277 127.277 120.261 7.016 25439 12017 1 16 . 1 1 150 150 CYS HA H 150 3.932 3.932 4.549 -0.617 25439 12018 1 16 . 1 1 150 150 CYS CA C 150 61.362 61.362 57.233 4.129 25439 12019 1 16 . 1 1 150 150 CYS CB C 150 30.632 30.632 29.645 0.987 25439 12020 1 16 . 1 1 150 150 CYS H H 150 8.240 8.240 7.143 1.097 25439 12021 1 16 . 1 1 151 151 ARG N N 151 125.476 125.476 127.294 -1.818 25439 12022 1 16 . 1 1 151 151 ARG HA H 151 4.775 4.775 4.337 0.438 25439 12023 1 16 . 1 1 151 151 ARG CA C 151 56.164 56.164 55.143 1.021 25439 12024 1 16 . 1 1 151 151 ARG CB C 151 30.354 30.354 29.283 1.071 25439 12025 1 16 . 1 1 151 151 ARG H H 151 8.492 8.492 8.677 -0.185 25439 12026 1 16 . 1 1 152 152 GLY N N 152 117.275 117.275 108.258 9.017 25439 12027 1 16 . 1 1 152 152 GLY CA C 152 45.523 45.523 45.392 0.131 25439 12028 1 16 . 1 1 152 152 GLY H H 152 9.812 9.812 7.711 2.101 25439 12029 1 16 . 1 1 153 153 CYS N N 153 126.187 126.187 118.947 7.240 25439 12030 1 16 . 1 1 153 153 CYS HA H 153 4.842 4.842 4.805 0.037 25439 12031 1 16 . 1 1 153 153 CYS CA C 153 57.130 57.130 55.846 1.284 25439 12032 1 16 . 1 1 153 153 CYS CB C 153 31.368 31.368 27.805 3.563 25439 12033 1 16 . 1 1 153 153 CYS H H 153 8.930 8.930 8.133 0.797 25439 12034 1 16 . 1 1 154 154 ALA N N 154 125.869 125.869 126.173 -0.304 25439 12035 1 16 . 1 1 154 154 ALA HA H 154 4.159 4.159 4.917 -0.758 25439 12036 1 16 . 1 1 154 154 ALA CA C 154 53.187 53.187 51.621 1.566 25439 12037 1 16 . 1 1 154 154 ALA CB C 154 18.937 18.937 21.561 -2.624 25439 12038 1 16 . 1 1 154 154 ALA H H 154 8.616 8.616 8.309 0.307 25439 12039 1 16 . 1 1 155 155 SER N N 155 116.724 116.724 116.758 -0.034 25439 12040 1 16 . 1 1 155 155 SER HA H 155 4.283 4.283 4.405 -0.122 25439 12041 1 16 . 1 1 155 155 SER CA C 155 60.136 60.136 60.860 -0.724 25439 12042 1 16 . 1 1 155 155 SER CB C 155 63.575 63.575 63.820 -0.245 25439 12043 1 16 . 1 1 155 155 SER H H 155 9.358 9.358 8.918 0.440 25439 12044 1 16 . 1 1 156 156 THR N N 156 111.893 111.893 115.532 -3.639 25439 12045 1 16 . 1 1 156 156 THR HA H 156 4.358 4.358 4.200 0.158 25439 12046 1 16 . 1 1 156 156 THR CA C 156 61.264 61.264 63.883 -2.619 25439 12047 1 16 . 1 1 156 156 THR CB C 156 69.999 69.999 69.104 0.895 25439 12048 1 16 . 1 1 156 156 THR H H 156 7.638 7.638 8.238 -0.600 25439 12049 1 17 . 1 1 0 0 GLY CA C 0 43.750 43.750 44.794 -1.044 25439 12050 1 17 . 1 1 1 1 SER N N 1 117.201 117.201 118.592 -1.391 25439 12051 1 17 . 1 1 1 1 SER HA H 1 4.809 4.809 4.755 0.054 25439 12052 1 17 . 1 1 1 1 SER CA C 1 56.525 56.525 56.304 0.221 25439 12053 1 17 . 1 1 1 1 SER CB C 1 63.385 63.385 64.055 -0.669 25439 12054 1 17 . 1 1 1 1 SER H H 1 8.381 8.381 8.116 0.265 25439 12055 1 17 . 1 1 2 2 PRO HA H 2 4.468 4.468 4.567 -0.099 25439 12056 1 17 . 1 1 2 2 PRO CA C 2 63.292 63.292 62.968 0.324 25439 12057 1 17 . 1 1 2 2 PRO CB C 2 32.174 32.174 31.411 0.763 25439 12058 1 17 . 1 1 3 3 ARG N N 3 121.649 121.649 123.999 -2.350 25439 12059 1 17 . 1 1 3 3 ARG HA H 3 4.324 4.324 4.655 -0.331 25439 12060 1 17 . 1 1 3 3 ARG CA C 3 56.226 56.226 55.397 0.829 25439 12061 1 17 . 1 1 3 3 ARG CB C 3 30.732 30.732 33.828 -3.096 25439 12062 1 17 . 1 1 3 3 ARG H H 3 8.428 8.428 8.044 0.384 25439 12063 1 17 . 1 1 4 4 ILE N N 4 122.500 122.500 118.939 3.561 25439 12064 1 17 . 1 1 4 4 ILE HA H 4 4.181 4.181 4.513 -0.332 25439 12065 1 17 . 1 1 4 4 ILE CA C 4 60.943 60.943 61.205 -0.262 25439 12066 1 17 . 1 1 4 4 ILE CB C 4 38.751 38.751 38.385 0.366 25439 12067 1 17 . 1 1 4 4 ILE H H 4 8.165 8.165 8.444 -0.279 25439 12068 1 17 . 1 1 5 5 LYS N N 5 126.237 126.237 125.941 0.296 25439 12069 1 17 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.589 -0.187 25439 12070 1 17 . 1 1 5 5 LYS CA C 5 56.422 56.422 55.987 0.435 25439 12071 1 17 . 1 1 5 5 LYS CB C 5 33.130 33.130 33.667 -0.537 25439 12072 1 17 . 1 1 5 5 LYS H H 5 8.500 8.500 8.244 0.256 25439 12073 1 17 . 1 1 6 6 THR N N 6 116.495 116.495 118.106 -1.611 25439 12074 1 17 . 1 1 6 6 THR HA H 6 4.323 4.323 4.472 -0.149 25439 12075 1 17 . 1 1 6 6 THR CA C 6 61.918 61.918 62.141 -0.223 25439 12076 1 17 . 1 1 6 6 THR CB C 6 69.963 69.963 69.549 0.414 25439 12077 1 17 . 1 1 6 6 THR H H 6 8.194 8.194 8.418 -0.224 25439 12078 1 17 . 1 1 7 7 ARG N N 7 124.128 124.128 125.253 -1.125 25439 12079 1 17 . 1 1 7 7 ARG HA H 7 4.396 4.396 4.539 -0.143 25439 12080 1 17 . 1 1 7 7 ARG CA C 7 56.128 56.128 56.185 -0.057 25439 12081 1 17 . 1 1 7 7 ARG CB C 7 30.953 30.953 31.830 -0.877 25439 12082 1 17 . 1 1 7 7 ARG H H 7 8.458 8.458 8.389 0.069 25439 12083 1 17 . 1 1 8 8 ARG N N 8 123.384 123.384 124.664 -1.280 25439 12084 1 17 . 1 1 8 8 ARG HA H 8 4.424 4.424 4.556 -0.132 25439 12085 1 17 . 1 1 8 8 ARG CA C 8 56.011 56.011 56.490 -0.479 25439 12086 1 17 . 1 1 8 8 ARG CB C 8 31.058 31.058 30.666 0.392 25439 12087 1 17 . 1 1 8 8 ARG H H 8 8.526 8.526 8.530 -0.004 25439 12088 1 17 . 1 1 9 9 SER N N 9 118.446 118.446 116.636 1.810 25439 12089 1 17 . 1 1 9 9 SER HA H 9 4.473 4.473 4.697 -0.224 25439 12090 1 17 . 1 1 9 9 SER CA C 9 58.568 58.568 57.880 0.688 25439 12091 1 17 . 1 1 9 9 SER CB C 9 63.986 63.986 65.155 -1.169 25439 12092 1 17 . 1 1 9 9 SER H H 9 8.450 8.450 8.403 0.047 25439 12093 1 17 . 1 1 10 10 LYS N N 10 124.117 124.117 123.828 0.289 25439 12094 1 17 . 1 1 10 10 LYS HA H 10 4.673 4.673 4.829 -0.156 25439 12095 1 17 . 1 1 10 10 LYS CA C 10 54.412 54.412 53.870 0.542 25439 12096 1 17 . 1 1 10 10 LYS CB C 10 32.693 32.693 33.388 -0.695 25439 12097 1 17 . 1 1 10 10 LYS H H 10 8.426 8.426 8.732 -0.306 25439 12098 1 17 . 1 1 11 11 PRO HA H 11 4.360 4.360 4.553 -0.193 25439 12099 1 17 . 1 1 11 11 PRO CA C 11 62.861 62.861 62.541 0.320 25439 12100 1 17 . 1 1 11 11 PRO CB C 11 32.106 32.106 32.696 -0.590 25439 12101 1 17 . 1 1 12 12 ALA N N 12 124.420 124.420 122.840 1.580 25439 12102 1 17 . 1 1 12 12 ALA HA H 12 2.889 2.889 3.133 -0.244 25439 12103 1 17 . 1 1 12 12 ALA CA C 12 49.735 49.735 49.095 0.640 25439 12104 1 17 . 1 1 12 12 ALA CB C 12 18.066 18.066 16.900 1.166 25439 12105 1 17 . 1 1 12 12 ALA H H 12 7.890 7.890 7.716 0.174 25439 12106 1 17 . 1 1 13 13 PRO HA H 13 4.207 4.207 4.458 -0.251 25439 12107 1 17 . 1 1 13 13 PRO CA C 13 62.111 62.111 61.836 0.275 25439 12108 1 17 . 1 1 13 13 PRO CB C 13 32.582 32.582 32.270 0.312 25439 12109 1 17 . 1 1 14 14 ASP N N 14 119.535 119.535 120.516 -0.981 25439 12110 1 17 . 1 1 14 14 ASP HA H 14 4.379 4.379 4.299 0.080 25439 12111 1 17 . 1 1 14 14 ASP CA C 14 56.427 56.427 57.591 -1.164 25439 12112 1 17 . 1 1 14 14 ASP CB C 14 41.177 41.177 40.402 0.775 25439 12113 1 17 . 1 1 14 14 ASP H H 14 8.206 8.206 8.640 -0.434 25439 12114 1 17 . 1 1 15 15 GLY N N 15 113.273 113.273 108.095 5.178 25439 12115 1 17 . 1 1 15 15 GLY CA C 15 45.146 45.146 46.772 -1.626 25439 12116 1 17 . 1 1 15 15 GLY H H 15 8.723 8.723 8.451 0.272 25439 12117 1 17 . 1 1 16 16 PHE N N 16 123.113 123.113 122.638 0.475 25439 12118 1 17 . 1 1 16 16 PHE HA H 16 4.125 4.125 4.235 -0.110 25439 12119 1 17 . 1 1 16 16 PHE CA C 16 60.715 60.715 59.460 1.255 25439 12120 1 17 . 1 1 16 16 PHE CB C 16 39.639 39.639 39.075 0.564 25439 12121 1 17 . 1 1 16 16 PHE H H 16 8.127 8.127 8.289 -0.162 25439 12122 1 17 . 1 1 17 17 GLU N N 17 115.695 115.695 119.404 -3.709 25439 12123 1 17 . 1 1 17 17 GLU HA H 17 3.768 3.768 3.812 -0.044 25439 12124 1 17 . 1 1 17 17 GLU CA C 17 59.234 59.234 59.385 -0.151 25439 12125 1 17 . 1 1 17 17 GLU CB C 17 28.495 28.495 29.358 -0.863 25439 12126 1 17 . 1 1 17 17 GLU H H 17 9.088 9.088 8.187 0.901 25439 12127 1 17 . 1 1 18 18 LYS N N 18 115.887 115.887 117.339 -1.452 25439 12128 1 17 . 1 1 18 18 LYS HA H 18 4.165 4.165 4.073 0.092 25439 12129 1 17 . 1 1 18 18 LYS CA C 18 58.249 58.249 58.922 -0.673 25439 12130 1 17 . 1 1 18 18 LYS CB C 18 32.725 32.725 32.922 -0.197 25439 12131 1 17 . 1 1 18 18 LYS H H 18 7.285 7.285 7.792 -0.507 25439 12132 1 17 . 1 1 19 19 ILE N N 19 110.277 110.277 110.557 -0.280 25439 12133 1 17 . 1 1 19 19 ILE HA H 19 4.722 4.722 4.758 -0.036 25439 12134 1 17 . 1 1 19 19 ILE CA C 19 61.093 61.093 59.623 1.470 25439 12135 1 17 . 1 1 19 19 ILE CB C 19 39.139 39.139 37.989 1.150 25439 12136 1 17 . 1 1 19 19 ILE H H 19 7.031 7.031 7.507 -0.476 25439 12137 1 17 . 1 1 20 20 LYS N N 20 124.540 124.540 122.697 1.843 25439 12138 1 17 . 1 1 20 20 LYS HA H 20 3.603 3.603 3.766 -0.163 25439 12139 1 17 . 1 1 20 20 LYS CA C 20 60.917 60.917 59.793 1.124 25439 12140 1 17 . 1 1 20 20 LYS CB C 20 30.210 30.210 30.474 -0.264 25439 12141 1 17 . 1 1 20 20 LYS H H 20 7.666 7.666 7.535 0.131 25439 12142 1 17 . 1 1 21 21 PRO HA H 21 4.292 4.292 4.582 -0.290 25439 12143 1 17 . 1 1 21 21 PRO CA C 21 66.990 66.990 65.257 1.734 25439 12144 1 17 . 1 1 21 21 PRO CB C 21 30.779 30.779 31.381 -0.602 25439 12145 1 17 . 1 1 22 22 THR N N 22 114.917 114.917 115.598 -0.681 25439 12146 1 17 . 1 1 22 22 THR HA H 22 3.866 3.866 4.059 -0.193 25439 12147 1 17 . 1 1 22 22 THR CA C 22 66.575 66.575 66.735 -0.160 25439 12148 1 17 . 1 1 22 22 THR CB C 22 68.731 68.731 68.144 0.587 25439 12149 1 17 . 1 1 22 22 THR H H 22 7.331 7.331 8.407 -1.076 25439 12150 1 17 . 1 1 23 23 LEU N N 23 120.152 120.152 120.157 -0.005 25439 12151 1 17 . 1 1 23 23 LEU HA H 23 4.397 4.397 4.055 0.342 25439 12152 1 17 . 1 1 23 23 LEU CA C 23 58.740 58.740 57.845 0.895 25439 12153 1 17 . 1 1 23 23 LEU CB C 23 40.489 40.489 41.740 -1.251 25439 12154 1 17 . 1 1 23 23 LEU H H 23 7.991 7.991 7.519 0.472 25439 12155 1 17 . 1 1 24 24 THR N N 24 119.365 119.365 115.431 3.934 25439 12156 1 17 . 1 1 24 24 THR HA H 24 4.095 4.095 3.979 0.116 25439 12157 1 17 . 1 1 24 24 THR CA C 24 66.834 66.834 66.460 0.374 25439 12158 1 17 . 1 1 24 24 THR CB C 24 68.614 68.614 68.071 0.543 25439 12159 1 17 . 1 1 24 24 THR H H 24 9.175 9.175 7.560 1.615 25439 12160 1 17 . 1 1 25 25 ASP N N 25 122.865 122.865 122.497 0.368 25439 12161 1 17 . 1 1 25 25 ASP HA H 25 4.483 4.483 4.348 0.135 25439 12162 1 17 . 1 1 25 25 ASP CA C 25 58.158 58.158 57.135 1.023 25439 12163 1 17 . 1 1 25 25 ASP CB C 25 40.329 40.329 40.512 -0.183 25439 12164 1 17 . 1 1 25 25 ASP H H 25 7.714 7.714 7.853 -0.139 25439 12165 1 17 . 1 1 26 26 PHE N N 26 116.182 116.182 118.353 -2.171 25439 12166 1 17 . 1 1 26 26 PHE HA H 26 4.457 4.457 4.147 0.310 25439 12167 1 17 . 1 1 26 26 PHE CA C 26 62.531 62.531 61.656 0.875 25439 12168 1 17 . 1 1 26 26 PHE CB C 26 39.468 39.468 38.880 0.587 25439 12169 1 17 . 1 1 26 26 PHE H H 26 7.816 7.816 7.811 0.005 25439 12170 1 17 . 1 1 27 27 GLU N N 27 120.107 120.107 119.077 1.030 25439 12171 1 17 . 1 1 27 27 GLU HA H 27 4.113 4.113 4.024 0.089 25439 12172 1 17 . 1 1 27 27 GLU CA C 27 59.852 59.852 59.890 -0.038 25439 12173 1 17 . 1 1 27 27 GLU CB C 27 29.692 29.692 29.290 0.402 25439 12174 1 17 . 1 1 27 27 GLU H H 27 8.068 8.068 7.966 0.102 25439 12175 1 17 . 1 1 28 28 ILE N N 28 121.494 121.494 120.091 1.403 25439 12176 1 17 . 1 1 28 28 ILE HA H 28 3.718 3.718 3.724 -0.006 25439 12177 1 17 . 1 1 28 28 ILE CA C 28 65.002 65.002 64.982 0.020 25439 12178 1 17 . 1 1 28 28 ILE CB C 28 38.023 38.023 37.962 0.060 25439 12179 1 17 . 1 1 28 28 ILE H H 28 8.531 8.531 7.512 1.019 25439 12180 1 17 . 1 1 29 29 GLN N N 29 118.941 118.941 119.948 -1.007 25439 12181 1 17 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.219 -0.039 25439 12182 1 17 . 1 1 29 29 GLN CA C 29 59.507 59.507 58.705 0.802 25439 12183 1 17 . 1 1 29 29 GLN CB C 29 29.783 29.783 28.672 1.111 25439 12184 1 17 . 1 1 29 29 GLN H H 29 8.117 8.117 7.404 0.713 25439 12185 1 17 . 1 1 30 30 LEU N N 30 121.724 121.724 121.218 0.506 25439 12186 1 17 . 1 1 30 30 LEU HA H 30 4.032 4.032 4.005 0.027 25439 12187 1 17 . 1 1 30 30 LEU CA C 30 58.333 58.333 58.294 0.040 25439 12188 1 17 . 1 1 30 30 LEU CB C 30 42.339 42.339 41.914 0.425 25439 12189 1 17 . 1 1 30 30 LEU H H 30 8.677 8.677 8.725 -0.048 25439 12190 1 17 . 1 1 31 31 ARG N N 31 120.629 120.629 118.955 1.674 25439 12191 1 17 . 1 1 31 31 ARG HA H 31 4.105 4.105 4.078 0.027 25439 12192 1 17 . 1 1 31 31 ARG CA C 31 59.340 59.340 59.934 -0.594 25439 12193 1 17 . 1 1 31 31 ARG CB C 31 30.044 30.044 29.664 0.380 25439 12194 1 17 . 1 1 31 31 ARG H H 31 8.227 8.227 8.539 -0.312 25439 12195 1 17 . 1 1 32 32 ASP N N 32 120.233 120.233 119.870 0.363 25439 12196 1 17 . 1 1 32 32 ASP HA H 32 4.484 4.484 4.357 0.127 25439 12197 1 17 . 1 1 32 32 ASP CA C 32 57.199 57.199 57.602 -0.403 25439 12198 1 17 . 1 1 32 32 ASP CB C 32 40.202 40.202 40.355 -0.153 25439 12199 1 17 . 1 1 32 32 ASP H H 32 8.407 8.407 7.653 0.754 25439 12200 1 17 . 1 1 33 33 ALA N N 33 121.939 121.939 122.724 -0.785 25439 12201 1 17 . 1 1 33 33 ALA HA H 33 4.321 4.321 4.008 0.313 25439 12202 1 17 . 1 1 33 33 ALA CA C 33 54.207 54.207 55.027 -0.820 25439 12203 1 17 . 1 1 33 33 ALA CB C 33 18.738 18.738 18.402 0.336 25439 12204 1 17 . 1 1 33 33 ALA H H 33 8.057 8.057 7.452 0.605 25439 12205 1 17 . 1 1 34 34 GLN N N 34 114.736 114.736 116.851 -2.115 25439 12206 1 17 . 1 1 34 34 GLN HA H 34 4.248 4.248 4.029 0.220 25439 12207 1 17 . 1 1 34 34 GLN CA C 34 56.567 56.567 58.750 -2.183 25439 12208 1 17 . 1 1 34 34 GLN CB C 34 29.743 29.743 28.856 0.887 25439 12209 1 17 . 1 1 34 34 GLN H H 34 7.746 7.746 8.540 -0.794 25439 12210 1 17 . 1 1 35 35 LYS N N 35 120.534 120.534 117.388 3.146 25439 12211 1 17 . 1 1 35 35 LYS HA H 35 4.232 4.232 4.354 -0.122 25439 12212 1 17 . 1 1 35 35 LYS CA C 35 57.427 57.427 57.584 -0.158 25439 12213 1 17 . 1 1 35 35 LYS CB C 35 32.887 32.887 32.750 0.137 25439 12214 1 17 . 1 1 35 35 LYS H H 35 7.570 7.570 7.956 -0.386 25439 12215 1 17 . 1 1 36 36 ASP N N 36 120.943 120.943 121.508 -0.565 25439 12216 1 17 . 1 1 36 36 ASP HA H 36 4.595 4.595 4.374 0.221 25439 12217 1 17 . 1 1 36 36 ASP CA C 36 54.983 54.983 57.442 -2.459 25439 12218 1 17 . 1 1 36 36 ASP CB C 36 41.129 41.129 40.441 0.688 25439 12219 1 17 . 1 1 36 36 ASP H H 36 8.375 8.375 8.687 -0.312 25439 12220 1 17 . 1 1 37 37 LYS N N 37 122.598 122.598 118.902 3.696 25439 12221 1 17 . 1 1 37 37 LYS HA H 37 4.365 4.365 4.024 0.341 25439 12222 1 17 . 1 1 37 37 LYS CA C 37 56.725 56.725 58.468 -1.743 25439 12223 1 17 . 1 1 37 37 LYS CB C 37 32.823 32.823 32.572 0.252 25439 12224 1 17 . 1 1 37 37 LYS H H 37 8.446 8.446 7.509 0.937 25439 12225 1 17 . 1 1 38 38 SER N N 38 115.849 115.849 112.334 3.515 25439 12226 1 17 . 1 1 38 38 SER HA H 38 4.423 4.423 4.647 -0.224 25439 12227 1 17 . 1 1 38 38 SER CA C 38 59.193 59.193 58.153 1.040 25439 12228 1 17 . 1 1 38 38 SER CB C 38 63.744 63.744 62.742 1.002 25439 12229 1 17 . 1 1 38 38 SER H H 38 8.392 8.392 7.687 0.705 25439 12230 1 17 . 1 1 39 39 SER N N 39 117.258 117.258 117.073 0.185 25439 12231 1 17 . 1 1 39 39 SER HA H 39 4.445 4.445 4.593 -0.148 25439 12232 1 17 . 1 1 39 39 SER CA C 39 58.933 58.933 59.955 -1.022 25439 12233 1 17 . 1 1 39 39 SER CB C 39 63.711 63.711 64.531 -0.820 25439 12234 1 17 . 1 1 39 39 SER H H 39 8.283 8.283 7.948 0.335 25439 12235 1 17 . 1 1 40 40 LYS N N 40 122.427 122.427 121.649 0.778 25439 12236 1 17 . 1 1 40 40 LYS HA H 40 4.321 4.321 4.414 -0.093 25439 12237 1 17 . 1 1 40 40 LYS CA C 40 56.847 56.847 56.405 0.442 25439 12238 1 17 . 1 1 40 40 LYS CB C 40 32.764 32.764 33.608 -0.845 25439 12239 1 17 . 1 1 40 40 LYS H H 40 8.263 8.263 7.771 0.492 25439 12240 1 17 . 1 1 41 41 LEU N N 41 121.281 121.281 119.768 1.513 25439 12241 1 17 . 1 1 41 41 LEU HA H 41 4.308 4.308 4.017 0.291 25439 12242 1 17 . 1 1 41 41 LEU CA C 41 55.335 55.335 55.130 0.205 25439 12243 1 17 . 1 1 41 41 LEU CB C 41 42.212 42.212 40.908 1.304 25439 12244 1 17 . 1 1 41 41 LEU H H 41 8.068 8.068 8.290 -0.222 25439 12245 1 17 . 1 1 42 42 ALA N N 42 123.964 123.964 125.509 -1.545 25439 12246 1 17 . 1 1 42 42 ALA HA H 42 4.274 4.274 4.389 -0.115 25439 12247 1 17 . 1 1 42 42 ALA CA C 42 52.851 52.851 52.543 0.308 25439 12248 1 17 . 1 1 42 42 ALA CB C 42 19.135 19.135 19.744 -0.609 25439 12249 1 17 . 1 1 42 42 ALA H H 42 8.111 8.111 8.249 -0.138 25439 12250 1 17 . 1 1 43 43 ALA N N 43 122.146 122.146 121.660 0.486 25439 12251 1 17 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.495 -0.198 25439 12252 1 17 . 1 1 43 43 ALA CA C 43 52.727 52.727 51.591 1.136 25439 12253 1 17 . 1 1 43 43 ALA CB C 43 19.318 19.318 19.781 -0.463 25439 12254 1 17 . 1 1 43 43 ALA H H 43 8.101 8.101 7.511 0.591 25439 12255 1 17 . 1 1 44 44 LYS N N 44 119.454 119.454 119.804 -0.350 25439 12256 1 17 . 1 1 44 44 LYS HA H 44 4.349 4.349 3.985 0.364 25439 12257 1 17 . 1 1 44 44 LYS CA C 44 56.267 56.267 56.528 -0.261 25439 12258 1 17 . 1 1 44 44 LYS CB C 44 32.825 32.825 32.160 0.665 25439 12259 1 17 . 1 1 44 44 LYS H H 44 8.198 8.198 8.309 -0.112 25439 12260 1 17 . 1 1 45 45 SER N N 45 116.660 116.660 117.922 -1.262 25439 12261 1 17 . 1 1 45 45 SER HA H 45 4.368 4.368 4.422 -0.054 25439 12262 1 17 . 1 1 45 45 SER CA C 45 58.477 58.477 59.520 -1.043 25439 12263 1 17 . 1 1 45 45 SER CB C 45 64.063 64.063 63.934 0.129 25439 12264 1 17 . 1 1 45 45 SER H H 45 8.251 8.251 8.348 -0.097 25439 12265 1 17 . 1 1 46 46 ASN N N 46 120.516 120.516 120.088 0.428 25439 12266 1 17 . 1 1 46 46 ASN HA H 46 4.361 4.361 4.267 0.094 25439 12267 1 17 . 1 1 46 46 ASN CA C 46 54.657 54.657 55.798 -1.141 25439 12268 1 17 . 1 1 46 46 ASN CB C 46 37.649 37.649 38.243 -0.594 25439 12269 1 17 . 1 1 46 46 ASN H H 46 8.498 8.498 8.387 0.111 25439 12270 1 17 . 1 1 47 47 GLU N N 47 117.964 117.964 118.136 -0.172 25439 12271 1 17 . 1 1 47 47 GLU HA H 47 3.350 3.350 3.078 0.272 25439 12272 1 17 . 1 1 47 47 GLU CA C 47 59.213 59.213 58.801 0.412 25439 12273 1 17 . 1 1 47 47 GLU CB C 47 28.998 28.998 28.782 0.216 25439 12274 1 17 . 1 1 47 47 GLU H H 47 8.016 8.016 8.253 -0.237 25439 12275 1 17 . 1 1 48 48 GLN N N 48 119.468 119.468 119.098 0.370 25439 12276 1 17 . 1 1 48 48 GLN HA H 48 4.250 4.250 4.024 0.226 25439 12277 1 17 . 1 1 48 48 GLN CA C 48 58.529 58.529 58.998 -0.469 25439 12278 1 17 . 1 1 48 48 GLN CB C 48 28.902 28.902 28.339 0.563 25439 12279 1 17 . 1 1 48 48 GLN H H 48 7.892 7.892 7.445 0.447 25439 12280 1 17 . 1 1 49 49 LEU N N 49 120.145 120.145 119.257 0.888 25439 12281 1 17 . 1 1 49 49 LEU HA H 49 4.232 4.232 4.040 0.192 25439 12282 1 17 . 1 1 49 49 LEU CA C 49 57.479 57.479 57.330 0.150 25439 12283 1 17 . 1 1 49 49 LEU CB C 49 41.391 41.391 41.353 0.038 25439 12284 1 17 . 1 1 49 49 LEU H H 49 7.699 7.699 7.307 0.392 25439 12285 1 17 . 1 1 50 50 TRP N N 50 119.596 119.596 118.550 1.046 25439 12286 1 17 . 1 1 50 50 TRP HA H 50 4.520 4.520 4.427 0.093 25439 12287 1 17 . 1 1 50 50 TRP CA C 50 58.353 58.353 57.740 0.613 25439 12288 1 17 . 1 1 50 50 TRP CB C 50 28.880 28.880 27.913 0.967 25439 12289 1 17 . 1 1 50 50 TRP H H 50 8.385 8.385 7.671 0.714 25439 12290 1 17 . 1 1 51 51 GLU N N 51 119.362 119.362 118.549 0.813 25439 12291 1 17 . 1 1 51 51 GLU HA H 51 4.145 4.145 4.125 0.020 25439 12292 1 17 . 1 1 51 51 GLU CA C 51 60.035 60.035 59.706 0.329 25439 12293 1 17 . 1 1 51 51 GLU CB C 51 29.675 29.675 29.446 0.229 25439 12294 1 17 . 1 1 51 51 GLU H H 51 8.223 8.223 7.838 0.385 25439 12295 1 17 . 1 1 52 52 ILE N N 52 119.018 119.018 119.648 -0.630 25439 12296 1 17 . 1 1 52 52 ILE HA H 52 3.673 3.673 3.778 -0.105 25439 12297 1 17 . 1 1 52 52 ILE CA C 52 65.511 65.511 65.097 0.414 25439 12298 1 17 . 1 1 52 52 ILE CB C 52 38.532 38.532 38.003 0.529 25439 12299 1 17 . 1 1 52 52 ILE H H 52 7.801 7.801 7.266 0.535 25439 12300 1 17 . 1 1 53 53 MET N N 53 118.133 118.133 117.647 0.486 25439 12301 1 17 . 1 1 53 53 MET HA H 53 4.452 4.452 4.134 0.318 25439 12302 1 17 . 1 1 53 53 MET CA C 53 58.216 58.216 58.184 0.032 25439 12303 1 17 . 1 1 53 53 MET CB C 53 31.838 31.838 31.683 0.155 25439 12304 1 17 . 1 1 53 53 MET H H 53 8.411 8.411 8.068 0.343 25439 12305 1 17 . 1 1 54 54 GLN N N 54 120.855 120.855 118.980 1.875 25439 12306 1 17 . 1 1 54 54 GLN HA H 54 4.333 4.333 3.965 0.368 25439 12307 1 17 . 1 1 54 54 GLN CA C 54 59.004 59.004 59.280 -0.276 25439 12308 1 17 . 1 1 54 54 GLN CB C 54 27.824 27.824 28.745 -0.921 25439 12309 1 17 . 1 1 54 54 GLN H H 54 8.860 8.860 8.042 0.818 25439 12310 1 17 . 1 1 55 55 LEU N N 55 122.788 122.788 119.019 3.769 25439 12311 1 17 . 1 1 55 55 LEU HA H 55 4.302 4.302 4.196 0.106 25439 12312 1 17 . 1 1 55 55 LEU CA C 55 58.685 58.685 57.962 0.723 25439 12313 1 17 . 1 1 55 55 LEU CB C 55 42.695 42.695 41.867 0.828 25439 12314 1 17 . 1 1 55 55 LEU H H 55 8.298 8.298 7.820 0.478 25439 12315 1 17 . 1 1 56 56 HIS N N 56 118.426 118.426 117.903 0.523 25439 12316 1 17 . 1 1 56 56 HIS HA H 56 4.317 4.317 4.194 0.123 25439 12317 1 17 . 1 1 56 56 HIS CA C 56 60.732 60.732 60.438 0.294 25439 12318 1 17 . 1 1 56 56 HIS CB C 56 30.530 30.530 29.787 0.744 25439 12319 1 17 . 1 1 56 56 HIS H H 56 8.416 8.416 7.892 0.524 25439 12320 1 17 . 1 1 57 57 HIS N N 57 121.197 121.197 119.425 1.772 25439 12321 1 17 . 1 1 57 57 HIS HA H 57 4.318 4.318 4.530 -0.212 25439 12322 1 17 . 1 1 57 57 HIS CA C 57 60.739 60.739 58.761 1.978 25439 12323 1 17 . 1 1 57 57 HIS CB C 57 28.726 28.726 30.135 -1.409 25439 12324 1 17 . 1 1 57 57 HIS H H 57 8.608 8.608 8.087 0.521 25439 12325 1 17 . 1 1 58 58 GLN N N 58 118.739 118.739 118.709 0.030 25439 12326 1 17 . 1 1 58 58 GLN HA H 58 4.202 4.202 4.171 0.031 25439 12327 1 17 . 1 1 58 58 GLN CA C 58 59.507 59.507 59.374 0.133 25439 12328 1 17 . 1 1 58 58 GLN CB C 58 29.111 29.111 28.723 0.388 25439 12329 1 17 . 1 1 58 58 GLN H H 58 9.206 9.206 8.098 1.108 25439 12330 1 17 . 1 1 59 59 ARG N N 59 122.498 122.498 120.300 2.198 25439 12331 1 17 . 1 1 59 59 ARG HA H 59 3.437 3.437 3.785 -0.348 25439 12332 1 17 . 1 1 59 59 ARG CA C 59 60.361 60.361 58.978 1.383 25439 12333 1 17 . 1 1 59 59 ARG H H 59 8.623 8.623 8.363 0.260 25439 12334 1 17 . 1 1 60 60 SER N N 60 114.930 114.930 115.259 -0.329 25439 12335 1 17 . 1 1 60 60 SER HA H 60 4.515 4.515 4.311 0.204 25439 12336 1 17 . 1 1 60 60 SER CA C 60 64.832 64.832 61.691 3.141 25439 12337 1 17 . 1 1 60 60 SER CB C 60 63.583 63.583 63.225 0.358 25439 12338 1 17 . 1 1 60 60 SER H H 60 7.993 7.993 8.495 -0.502 25439 12339 1 17 . 1 1 61 61 ARG N N 61 124.417 124.417 122.983 1.434 25439 12340 1 17 . 1 1 61 61 ARG HA H 61 4.204 4.204 4.074 0.130 25439 12341 1 17 . 1 1 61 61 ARG CA C 61 58.852 58.852 59.601 -0.749 25439 12342 1 17 . 1 1 61 61 ARG CB C 61 29.077 29.077 30.272 -1.195 25439 12343 1 17 . 1 1 61 61 ARG H H 61 9.569 9.569 8.191 1.378 25439 12344 1 17 . 1 1 62 62 TYR N N 62 124.484 124.484 121.132 3.352 25439 12345 1 17 . 1 1 62 62 TYR HA H 62 4.676 4.676 4.295 0.381 25439 12346 1 17 . 1 1 62 62 TYR CA C 62 61.006 61.006 62.073 -1.067 25439 12347 1 17 . 1 1 62 62 TYR CB C 62 38.392 38.392 38.720 -0.328 25439 12348 1 17 . 1 1 62 62 TYR H H 62 8.622 8.622 8.578 0.044 25439 12349 1 17 . 1 1 63 63 ILE N N 63 119.789 119.789 119.065 0.724 25439 12350 1 17 . 1 1 63 63 ILE HA H 63 3.492 3.492 3.760 -0.268 25439 12351 1 17 . 1 1 63 63 ILE CA C 63 65.693 65.693 65.607 0.086 25439 12352 1 17 . 1 1 63 63 ILE CB C 63 38.023 38.023 38.226 -0.203 25439 12353 1 17 . 1 1 63 63 ILE H H 63 7.588 7.588 8.253 -0.665 25439 12354 1 17 . 1 1 64 64 TYR N N 64 120.485 120.485 121.207 -0.722 25439 12355 1 17 . 1 1 64 64 TYR HA H 64 4.577 4.577 4.290 0.287 25439 12356 1 17 . 1 1 64 64 TYR CA C 64 61.759 61.759 62.417 -0.658 25439 12357 1 17 . 1 1 64 64 TYR CB C 64 39.772 39.772 38.700 1.071 25439 12358 1 17 . 1 1 64 64 TYR H H 64 9.166 9.166 9.200 -0.034 25439 12359 1 17 . 1 1 65 65 THR N N 65 117.072 117.072 117.141 -0.069 25439 12360 1 17 . 1 1 65 65 THR HA H 65 3.562 3.562 4.024 -0.462 25439 12361 1 17 . 1 1 65 65 THR CA C 65 67.016 67.016 67.768 -0.752 25439 12362 1 17 . 1 1 65 65 THR CB C 65 68.711 68.711 68.973 -0.262 25439 12363 1 17 . 1 1 65 65 THR H H 65 8.987 8.987 8.897 0.090 25439 12364 1 17 . 1 1 66 66 LEU N N 66 122.107 122.107 120.272 1.835 25439 12365 1 17 . 1 1 66 66 LEU HA H 66 3.782 3.782 4.252 -0.470 25439 12366 1 17 . 1 1 66 66 LEU CA C 66 58.476 58.476 58.046 0.430 25439 12367 1 17 . 1 1 66 66 LEU CB C 66 43.183 43.183 40.987 2.196 25439 12368 1 17 . 1 1 66 66 LEU H H 66 8.286 8.286 7.682 0.604 25439 12369 1 17 . 1 1 67 67 TYR N N 67 115.264 115.264 119.176 -3.912 25439 12370 1 17 . 1 1 67 67 TYR HA H 67 4.344 4.344 4.048 0.296 25439 12371 1 17 . 1 1 67 67 TYR CA C 67 60.830 60.830 61.505 -0.675 25439 12372 1 17 . 1 1 67 67 TYR CB C 67 40.376 40.376 39.872 0.504 25439 12373 1 17 . 1 1 67 67 TYR H H 67 7.983 7.983 8.222 -0.239 25439 12374 1 17 . 1 1 68 68 TYR N N 68 113.945 113.945 114.296 -0.351 25439 12375 1 17 . 1 1 68 68 TYR HA H 68 3.699 3.699 4.253 -0.554 25439 12376 1 17 . 1 1 68 68 TYR CA C 68 62.030 62.030 59.078 2.951 25439 12377 1 17 . 1 1 68 68 TYR CB C 68 38.046 38.046 38.151 -0.105 25439 12378 1 17 . 1 1 68 68 TYR H H 68 8.297 8.297 8.047 0.250 25439 12379 1 17 . 1 1 69 69 LYS N N 69 114.346 114.346 117.017 -2.671 25439 12380 1 17 . 1 1 69 69 LYS HA H 69 4.564 4.564 4.481 0.083 25439 12381 1 17 . 1 1 69 69 LYS CA C 69 56.821 56.821 56.978 -0.157 25439 12382 1 17 . 1 1 69 69 LYS CB C 69 31.980 31.980 34.009 -2.029 25439 12383 1 17 . 1 1 69 69 LYS H H 69 7.084 7.084 7.594 -0.510 25439 12384 1 17 . 1 1 70 70 ARG N N 70 114.676 114.676 119.020 -4.344 25439 12385 1 17 . 1 1 70 70 ARG HA H 70 4.251 4.251 4.211 0.040 25439 12386 1 17 . 1 1 70 70 ARG CA C 70 56.314 56.314 56.915 -0.601 25439 12387 1 17 . 1 1 70 70 ARG CB C 70 31.128 31.128 30.845 0.283 25439 12388 1 17 . 1 1 70 70 ARG H H 70 8.178 8.178 7.922 0.256 25439 12389 1 17 . 1 1 71 71 LYS N N 71 115.371 115.371 116.539 -1.168 25439 12390 1 17 . 1 1 71 71 LYS HA H 71 4.036 4.036 3.769 0.267 25439 12391 1 17 . 1 1 71 71 LYS CA C 71 57.121 57.121 57.005 0.116 25439 12392 1 17 . 1 1 71 71 LYS CB C 71 28.897 28.897 30.547 -1.650 25439 12393 1 17 . 1 1 71 71 LYS H H 71 6.843 6.843 7.840 -0.997 25439 12394 1 17 . 1 1 72 72 ALA N N 72 117.701 117.701 121.014 -3.313 25439 12395 1 17 . 1 1 72 72 ALA HA H 72 4.395 4.395 4.455 -0.060 25439 12396 1 17 . 1 1 72 72 ALA CA C 72 52.597 52.597 52.039 0.558 25439 12397 1 17 . 1 1 72 72 ALA CB C 72 21.560 21.560 19.844 1.716 25439 12398 1 17 . 1 1 72 72 ALA H H 72 8.560 8.560 7.680 0.880 25439 12399 1 17 . 1 1 73 73 ILE N N 73 107.605 107.605 117.360 -9.755 25439 12400 1 17 . 1 1 73 73 ILE CB C 73 42.724 42.724 41.591 1.133 25439 12401 1 17 . 1 1 73 73 ILE H H 73 7.074 7.074 7.312 -0.238 25439 12402 1 17 . 1 1 74 74 SER N N 74 118.425 118.425 118.687 -0.262 25439 12403 1 17 . 1 1 74 74 SER HA H 74 4.484 4.484 4.888 -0.404 25439 12404 1 17 . 1 1 74 74 SER CA C 74 57.082 57.082 56.946 0.136 25439 12405 1 17 . 1 1 74 74 SER CB C 74 65.396 65.396 65.805 -0.409 25439 12406 1 17 . 1 1 74 74 SER H H 74 8.797 8.797 8.366 0.431 25439 12407 1 17 . 1 1 75 75 LYS N N 75 121.891 121.891 124.631 -2.740 25439 12408 1 17 . 1 1 75 75 LYS HA H 75 3.851 3.851 4.216 -0.365 25439 12409 1 17 . 1 1 75 75 LYS CA C 75 59.624 59.624 59.987 -0.363 25439 12410 1 17 . 1 1 75 75 LYS CB C 75 32.368 32.368 32.421 -0.053 25439 12411 1 17 . 1 1 75 75 LYS H H 75 9.024 9.024 9.167 -0.143 25439 12412 1 17 . 1 1 76 76 ASP N N 76 115.908 115.908 119.406 -3.498 25439 12413 1 17 . 1 1 76 76 ASP HA H 76 4.423 4.423 4.394 0.029 25439 12414 1 17 . 1 1 76 76 ASP CA C 76 57.362 57.362 57.472 -0.110 25439 12415 1 17 . 1 1 76 76 ASP CB C 76 40.391 40.391 40.414 -0.023 25439 12416 1 17 . 1 1 76 76 ASP H H 76 8.161 8.161 7.889 0.272 25439 12417 1 17 . 1 1 77 77 LEU N N 77 121.705 121.705 121.287 0.418 25439 12418 1 17 . 1 1 77 77 LEU HA H 77 4.180 4.180 4.100 0.080 25439 12419 1 17 . 1 1 77 77 LEU CA C 77 57.818 57.818 57.887 -0.069 25439 12420 1 17 . 1 1 77 77 LEU H H 77 8.345 8.345 7.546 0.799 25439 12421 1 17 . 1 1 78 78 TYR N N 78 121.511 121.511 119.787 1.724 25439 12422 1 17 . 1 1 78 78 TYR HA H 78 3.789 3.789 3.999 -0.210 25439 12423 1 17 . 1 1 78 78 TYR CA C 78 62.857 62.857 60.642 2.215 25439 12424 1 17 . 1 1 78 78 TYR CB C 78 38.369 38.369 37.804 0.565 25439 12425 1 17 . 1 1 78 78 TYR H H 78 8.598 8.598 8.593 0.005 25439 12426 1 17 . 1 1 79 79 ASP N N 79 117.189 117.189 119.648 -2.459 25439 12427 1 17 . 1 1 79 79 ASP HA H 79 4.066 4.066 3.993 0.073 25439 12428 1 17 . 1 1 79 79 ASP CA C 79 57.219 57.219 57.243 -0.024 25439 12429 1 17 . 1 1 79 79 ASP CB C 79 40.003 40.003 40.684 -0.681 25439 12430 1 17 . 1 1 79 79 ASP H H 79 9.106 9.106 8.530 0.576 25439 12431 1 17 . 1 1 80 80 TRP N N 80 123.400 123.400 122.433 0.967 25439 12432 1 17 . 1 1 80 80 TRP HA H 80 4.160 4.160 4.130 0.030 25439 12433 1 17 . 1 1 80 80 TRP CA C 80 62.368 62.368 61.449 0.919 25439 12434 1 17 . 1 1 80 80 TRP CB C 80 29.969 29.969 29.423 0.546 25439 12435 1 17 . 1 1 80 80 TRP H H 80 7.931 7.931 8.313 -0.382 25439 12436 1 17 . 1 1 81 81 LEU N N 81 119.674 119.674 118.663 1.011 25439 12437 1 17 . 1 1 81 81 LEU HA H 81 3.971 3.971 2.800 1.171 25439 12438 1 17 . 1 1 81 81 LEU CA C 81 58.294 58.294 57.517 0.777 25439 12439 1 17 . 1 1 81 81 LEU CB C 81 41.818 41.818 41.578 0.240 25439 12440 1 17 . 1 1 81 81 LEU H H 81 8.814 8.814 7.973 0.841 25439 12441 1 17 . 1 1 82 82 ILE N N 82 118.746 118.746 119.001 -0.255 25439 12442 1 17 . 1 1 82 82 ILE HA H 82 3.861 3.861 3.894 -0.033 25439 12443 1 17 . 1 1 82 82 ILE CA C 82 62.734 62.734 63.055 -0.321 25439 12444 1 17 . 1 1 82 82 ILE CB C 82 36.236 36.236 36.455 -0.219 25439 12445 1 17 . 1 1 82 82 ILE H H 82 7.886 7.886 7.602 0.284 25439 12446 1 17 . 1 1 83 83 LYS N N 83 124.819 124.819 118.856 5.963 25439 12447 1 17 . 1 1 83 83 LYS HA H 83 3.911 3.911 4.101 -0.190 25439 12448 1 17 . 1 1 83 83 LYS CA C 83 59.643 59.643 57.772 1.871 25439 12449 1 17 . 1 1 83 83 LYS CB C 83 32.027 32.027 32.863 -0.836 25439 12450 1 17 . 1 1 83 83 LYS H H 83 8.224 8.224 7.545 0.679 25439 12451 1 17 . 1 1 84 84 GLU N N 84 115.404 115.404 118.397 -2.993 25439 12452 1 17 . 1 1 84 84 GLU HA H 84 3.841 3.841 4.206 -0.365 25439 12453 1 17 . 1 1 84 84 GLU CA C 84 55.582 55.582 55.178 0.404 25439 12454 1 17 . 1 1 84 84 GLU CB C 84 29.459 29.459 28.428 1.030 25439 12455 1 17 . 1 1 84 84 GLU H H 84 8.138 8.138 7.155 0.983 25439 12456 1 17 . 1 1 85 85 LYS N N 85 111.563 111.563 117.890 -6.327 25439 12457 1 17 . 1 1 85 85 LYS HA H 85 3.820 3.820 3.980 -0.160 25439 12458 1 17 . 1 1 85 85 LYS CA C 85 57.890 57.890 57.093 0.797 25439 12459 1 17 . 1 1 85 85 LYS CB C 85 28.005 28.005 30.120 -2.115 25439 12460 1 17 . 1 1 85 85 LYS H H 85 7.719 7.719 7.986 -0.267 25439 12461 1 17 . 1 1 86 86 TYR N N 86 116.916 116.916 117.983 -1.067 25439 12462 1 17 . 1 1 86 86 TYR HA H 86 4.137 4.137 4.355 -0.218 25439 12463 1 17 . 1 1 86 86 TYR CA C 86 61.228 61.228 58.143 3.085 25439 12464 1 17 . 1 1 86 86 TYR CB C 86 39.535 39.535 40.800 -1.265 25439 12465 1 17 . 1 1 86 86 TYR H H 86 8.521 8.521 8.156 0.365 25439 12466 1 17 . 1 1 87 87 ALA N N 87 113.715 113.715 119.190 -5.475 25439 12467 1 17 . 1 1 87 87 ALA HA H 87 4.738 4.738 4.387 0.351 25439 12468 1 17 . 1 1 87 87 ALA CA C 87 49.121 49.121 50.746 -1.625 25439 12469 1 17 . 1 1 87 87 ALA CB C 87 23.295 23.295 21.577 1.718 25439 12470 1 17 . 1 1 87 87 ALA H H 87 6.959 6.959 7.534 -0.575 25439 12471 1 17 . 1 1 88 88 ASP N N 88 119.344 119.344 120.086 -0.742 25439 12472 1 17 . 1 1 88 88 ASP HA H 88 4.544 4.544 4.908 -0.364 25439 12473 1 17 . 1 1 88 88 ASP CA C 88 52.714 52.714 53.075 -0.361 25439 12474 1 17 . 1 1 88 88 ASP CB C 88 41.845 41.845 42.584 -0.738 25439 12475 1 17 . 1 1 88 88 ASP H H 88 7.870 7.870 8.687 -0.817 25439 12476 1 17 . 1 1 89 89 LYS N N 89 125.312 125.312 126.461 -1.149 25439 12477 1 17 . 1 1 89 89 LYS HA H 89 3.834 3.834 4.078 -0.244 25439 12478 1 17 . 1 1 89 89 LYS CA C 89 59.409 59.409 59.964 -0.555 25439 12479 1 17 . 1 1 89 89 LYS CB C 89 32.848 32.848 32.562 0.286 25439 12480 1 17 . 1 1 89 89 LYS H H 89 8.467 8.467 8.777 -0.310 25439 12481 1 17 . 1 1 90 90 LEU N N 90 119.899 119.899 119.858 0.041 25439 12482 1 17 . 1 1 90 90 LEU HA H 90 4.023 4.023 4.029 -0.006 25439 12483 1 17 . 1 1 90 90 LEU CA C 90 57.049 57.049 58.032 -0.984 25439 12484 1 17 . 1 1 90 90 LEU CB C 90 41.099 41.099 41.721 -0.622 25439 12485 1 17 . 1 1 90 90 LEU H H 90 8.076 8.076 7.904 0.172 25439 12486 1 17 . 1 1 91 91 LEU N N 91 123.148 123.148 120.158 2.990 25439 12487 1 17 . 1 1 91 91 LEU HA H 91 3.498 3.498 3.739 -0.241 25439 12488 1 17 . 1 1 91 91 LEU CA C 91 56.971 56.971 57.690 -0.719 25439 12489 1 17 . 1 1 91 91 LEU CB C 91 41.823 41.823 41.654 0.169 25439 12490 1 17 . 1 1 91 91 LEU H H 91 7.120 7.120 7.404 -0.284 25439 12491 1 17 . 1 1 92 92 ILE N N 92 116.780 116.780 118.877 -2.097 25439 12492 1 17 . 1 1 92 92 ILE HA H 92 3.265 3.265 3.895 -0.630 25439 12493 1 17 . 1 1 92 92 ILE CA C 92 65.178 65.178 65.648 -0.470 25439 12494 1 17 . 1 1 92 92 ILE CB C 92 38.209 38.209 37.834 0.376 25439 12495 1 17 . 1 1 92 92 ILE H H 92 7.384 7.384 8.206 -0.822 25439 12496 1 17 . 1 1 93 93 ALA N N 93 117.061 117.061 122.525 -5.464 25439 12497 1 17 . 1 1 93 93 ALA HA H 93 3.930 3.930 4.081 -0.151 25439 12498 1 17 . 1 1 93 93 ALA CA C 93 54.839 54.839 55.568 -0.729 25439 12499 1 17 . 1 1 93 93 ALA CB C 93 18.125 18.125 18.187 -0.062 25439 12500 1 17 . 1 1 93 93 ALA H H 93 7.437 7.437 8.847 -1.410 25439 12501 1 17 . 1 1 94 94 LYS N N 94 116.036 116.036 118.974 -2.938 25439 12502 1 17 . 1 1 94 94 LYS HA H 94 3.803 3.803 3.675 0.128 25439 12503 1 17 . 1 1 94 94 LYS CA C 94 56.945 56.945 58.607 -1.662 25439 12504 1 17 . 1 1 94 94 LYS CB C 94 31.047 31.047 31.622 -0.575 25439 12505 1 17 . 1 1 94 94 LYS H H 94 7.012 7.012 7.867 -0.855 25439 12506 1 17 . 1 1 95 95 TRP N N 95 118.700 118.700 117.189 1.511 25439 12507 1 17 . 1 1 95 95 TRP HA H 95 4.814 4.814 4.581 0.233 25439 12508 1 17 . 1 1 95 95 TRP CA C 95 57.136 57.136 59.320 -2.184 25439 12509 1 17 . 1 1 95 95 TRP CB C 95 28.171 28.171 29.106 -0.935 25439 12510 1 17 . 1 1 95 95 TRP H H 95 7.611 7.611 7.617 -0.006 25439 12511 1 17 . 1 1 96 96 ARG N N 96 113.031 113.031 116.840 -3.809 25439 12512 1 17 . 1 1 96 96 ARG HA H 96 4.233 4.233 4.172 0.061 25439 12513 1 17 . 1 1 96 96 ARG CA C 96 56.234 56.234 58.450 -2.216 25439 12514 1 17 . 1 1 96 96 ARG CB C 96 30.245 30.245 30.453 -0.208 25439 12515 1 17 . 1 1 96 96 ARG H H 96 7.066 7.066 7.693 -0.627 25439 12516 1 17 . 1 1 97 97 LYS N N 97 123.252 123.252 118.826 4.426 25439 12517 1 17 . 1 1 97 97 LYS HA H 97 4.634 4.634 4.277 0.357 25439 12518 1 17 . 1 1 97 97 LYS CA C 97 54.937 54.937 57.203 -2.266 25439 12519 1 17 . 1 1 97 97 LYS CB C 97 34.166 34.166 32.832 1.334 25439 12520 1 17 . 1 1 97 97 LYS H H 97 8.467 8.467 8.207 0.260 25439 12521 1 17 . 1 1 98 98 THR N N 98 119.993 119.993 112.801 7.192 25439 12522 1 17 . 1 1 98 98 THR HA H 98 4.224 4.224 4.526 -0.302 25439 12523 1 17 . 1 1 98 98 THR CA C 98 64.670 64.670 61.362 3.308 25439 12524 1 17 . 1 1 98 98 THR CB C 98 69.200 69.200 69.260 -0.060 25439 12525 1 17 . 1 1 98 98 THR H H 98 8.329 8.329 8.256 0.073 25439 12526 1 17 . 1 1 99 99 GLY N N 99 116.645 116.645 114.073 2.572 25439 12527 1 17 . 1 1 99 99 GLY CA C 99 45.047 45.047 44.992 0.055 25439 12528 1 17 . 1 1 99 99 GLY H H 99 9.273 9.273 8.761 0.512 25439 12529 1 17 . 1 1 100 100 TYR N N 100 120.784 120.784 121.906 -1.122 25439 12530 1 17 . 1 1 100 100 TYR HA H 100 4.704 4.704 4.608 0.096 25439 12531 1 17 . 1 1 100 100 TYR CA C 100 57.697 57.697 56.417 1.280 25439 12532 1 17 . 1 1 100 100 TYR CB C 100 39.413 39.413 36.075 3.337 25439 12533 1 17 . 1 1 100 100 TYR H H 100 8.457 8.457 8.064 0.393 25439 12534 1 17 . 1 1 101 101 GLU N N 101 119.482 119.482 122.107 -2.625 25439 12535 1 17 . 1 1 101 101 GLU HA H 101 4.601 4.601 4.296 0.305 25439 12536 1 17 . 1 1 101 101 GLU CA C 101 61.207 61.207 58.146 3.061 25439 12537 1 17 . 1 1 101 101 GLU CB C 101 29.648 29.648 30.184 -0.536 25439 12538 1 17 . 1 1 101 101 GLU H H 101 9.836 9.836 7.951 1.885 25439 12539 1 17 . 1 1 102 102 LYS N N 102 115.179 115.179 121.141 -5.962 25439 12540 1 17 . 1 1 102 102 LYS HA H 102 4.295 4.295 4.530 -0.235 25439 12541 1 17 . 1 1 102 102 LYS CA C 102 54.207 54.207 55.340 -1.133 25439 12542 1 17 . 1 1 102 102 LYS CB C 102 32.489 32.489 32.245 0.244 25439 12543 1 17 . 1 1 102 102 LYS H H 102 8.291 8.291 7.964 0.327 25439 12544 1 17 . 1 1 103 103 LEU N N 103 119.637 119.637 123.525 -3.888 25439 12545 1 17 . 1 1 103 103 LEU HA H 103 4.385 4.385 4.881 -0.496 25439 12546 1 17 . 1 1 103 103 LEU CA C 103 56.549 56.549 54.199 2.350 25439 12547 1 17 . 1 1 103 103 LEU CB C 103 43.864 43.864 44.787 -0.923 25439 12548 1 17 . 1 1 103 103 LEU H H 103 7.642 7.642 8.253 -0.611 25439 12549 1 17 . 1 1 104 104 CYS N N 104 129.651 129.651 121.205 8.446 25439 12550 1 17 . 1 1 104 104 CYS HA H 104 4.498 4.498 4.943 -0.445 25439 12551 1 17 . 1 1 104 104 CYS CA C 104 58.076 58.076 58.561 -0.485 25439 12552 1 17 . 1 1 104 104 CYS CB C 104 32.301 32.301 28.330 3.971 25439 12553 1 17 . 1 1 104 104 CYS H H 104 8.638 8.638 8.911 -0.273 25439 12554 1 17 . 1 1 105 105 CYS N N 105 120.206 120.206 118.283 1.923 25439 12555 1 17 . 1 1 105 105 CYS HA H 105 4.806 4.806 4.833 -0.027 25439 12556 1 17 . 1 1 105 105 CYS CA C 105 58.271 58.271 56.848 1.423 25439 12557 1 17 . 1 1 105 105 CYS CB C 105 32.062 32.062 30.096 1.966 25439 12558 1 17 . 1 1 105 105 CYS H H 105 8.158 8.158 8.087 0.071 25439 12559 1 17 . 1 1 106 106 LEU N N 106 115.513 115.513 121.348 -5.835 25439 12560 1 17 . 1 1 106 106 LEU HA H 106 4.054 4.054 4.254 -0.200 25439 12561 1 17 . 1 1 106 106 LEU CA C 106 56.110 56.110 56.900 -0.790 25439 12562 1 17 . 1 1 106 106 LEU CB C 106 41.227 41.227 42.293 -1.066 25439 12563 1 17 . 1 1 106 106 LEU H H 106 8.466 8.466 8.263 0.203 25439 12564 1 17 . 1 1 107 107 ARG N N 107 122.711 122.711 118.913 3.798 25439 12565 1 17 . 1 1 107 107 ARG HA H 107 3.993 3.993 4.262 -0.269 25439 12566 1 17 . 1 1 107 107 ARG CA C 107 58.311 58.311 56.206 2.105 25439 12567 1 17 . 1 1 107 107 ARG CB C 107 28.965 28.965 29.121 -0.156 25439 12568 1 17 . 1 1 107 107 ARG H H 107 8.131 8.131 8.076 0.055 25439 12569 1 17 . 1 1 108 108 CYS N N 108 119.055 119.055 119.389 -0.334 25439 12570 1 17 . 1 1 108 108 CYS HA H 108 4.101 4.101 4.716 -0.615 25439 12571 1 17 . 1 1 108 108 CYS CA C 108 63.936 63.936 57.724 6.212 25439 12572 1 17 . 1 1 108 108 CYS CB C 108 30.934 30.934 27.001 3.933 25439 12573 1 17 . 1 1 108 108 CYS H H 108 8.010 8.010 8.105 -0.095 25439 12574 1 17 . 1 1 109 109 ILE N N 109 107.315 107.315 113.437 -6.122 25439 12575 1 17 . 1 1 109 109 ILE HA H 109 4.684 4.684 4.458 0.226 25439 12576 1 17 . 1 1 109 109 ILE CA C 109 60.483 60.483 61.010 -0.527 25439 12577 1 17 . 1 1 109 109 ILE CB C 109 38.320 38.320 38.774 -0.454 25439 12578 1 17 . 1 1 109 109 ILE H H 109 7.105 7.105 7.480 -0.375 25439 12579 1 17 . 1 1 110 110 GLN N N 110 122.468 122.468 121.612 0.856 25439 12580 1 17 . 1 1 110 110 GLN HA H 110 4.268 4.268 4.483 -0.215 25439 12581 1 17 . 1 1 110 110 GLN CA C 110 55.981 55.981 55.200 0.781 25439 12582 1 17 . 1 1 110 110 GLN CB C 110 29.656 29.656 29.404 0.252 25439 12583 1 17 . 1 1 110 110 GLN H H 110 7.156 7.156 8.273 -1.117 25439 12584 1 17 . 1 1 111 111 LYS N N 111 124.650 124.650 124.610 0.040 25439 12585 1 17 . 1 1 111 111 LYS HA H 111 4.246 4.246 4.724 -0.478 25439 12586 1 17 . 1 1 111 111 LYS CA C 111 56.546 56.546 54.973 1.573 25439 12587 1 17 . 1 1 111 111 LYS CB C 111 32.846 32.846 34.298 -1.452 25439 12588 1 17 . 1 1 111 111 LYS H H 111 8.522 8.522 8.439 0.083 25439 12589 1 17 . 1 1 112 112 ASN N N 112 120.972 120.972 116.365 4.607 25439 12590 1 17 . 1 1 112 112 ASN HA H 112 4.778 4.778 4.877 -0.099 25439 12591 1 17 . 1 1 112 112 ASN CA C 112 52.902 52.902 53.695 -0.793 25439 12592 1 17 . 1 1 112 112 ASN CB C 112 39.328 39.328 40.191 -0.862 25439 12593 1 17 . 1 1 112 112 ASN H H 112 8.360 8.360 8.681 -0.321 25439 12594 1 17 . 1 1 113 113 GLU N N 113 121.710 121.710 119.505 2.205 25439 12595 1 17 . 1 1 113 113 GLU HA H 113 4.248 4.248 4.735 -0.487 25439 12596 1 17 . 1 1 113 113 GLU CA C 113 58.611 58.611 55.725 2.886 25439 12597 1 17 . 1 1 113 113 GLU CB C 113 29.590 29.590 31.350 -1.760 25439 12598 1 17 . 1 1 113 113 GLU H H 113 9.023 9.023 8.119 0.904 25439 12599 1 17 . 1 1 114 114 THR N N 114 112.186 112.186 110.070 2.116 25439 12600 1 17 . 1 1 114 114 THR HA H 114 4.321 4.321 4.356 -0.035 25439 12601 1 17 . 1 1 114 114 THR CA C 114 63.161 63.161 63.144 0.017 25439 12602 1 17 . 1 1 114 114 THR CB C 114 69.481 69.481 69.114 0.367 25439 12603 1 17 . 1 1 114 114 THR H H 114 8.112 8.112 8.333 -0.221 25439 12604 1 17 . 1 1 115 115 ASN N N 115 119.112 119.112 119.956 -0.844 25439 12605 1 17 . 1 1 115 115 ASN HA H 115 4.829 4.829 4.754 0.075 25439 12606 1 17 . 1 1 115 115 ASN CA C 115 53.110 53.110 52.140 0.970 25439 12607 1 17 . 1 1 115 115 ASN CB C 115 38.659 38.659 40.485 -1.826 25439 12608 1 17 . 1 1 115 115 ASN H H 115 8.047 8.047 7.795 0.252 25439 12609 1 17 . 1 1 116 116 ASN N N 116 117.175 117.175 116.059 1.116 25439 12610 1 17 . 1 1 116 116 ASN HA H 116 4.615 4.615 4.353 0.262 25439 12611 1 17 . 1 1 116 116 ASN CA C 116 53.965 53.965 54.270 -0.305 25439 12612 1 17 . 1 1 116 116 ASN CB C 116 38.173 38.173 38.742 -0.569 25439 12613 1 17 . 1 1 116 116 ASN H H 116 8.364 8.364 8.659 -0.295 25439 12614 1 17 . 1 1 117 117 GLY N N 117 107.294 107.294 106.751 0.543 25439 12615 1 17 . 1 1 117 117 GLY CA C 117 45.882 45.882 44.639 1.244 25439 12616 1 17 . 1 1 117 117 GLY H H 117 8.264 8.264 8.367 -0.103 25439 12617 1 17 . 1 1 118 118 SER N N 118 115.475 115.475 117.162 -1.687 25439 12618 1 17 . 1 1 118 118 SER HA H 118 4.586 4.586 4.721 -0.135 25439 12619 1 17 . 1 1 118 118 SER CA C 118 57.974 57.974 58.065 -0.091 25439 12620 1 17 . 1 1 118 118 SER CB C 118 64.479 64.479 64.505 -0.026 25439 12621 1 17 . 1 1 118 118 SER H H 118 7.905 7.905 8.597 -0.692 25439 12622 1 17 . 1 1 119 119 THR N N 119 111.360 111.360 116.268 -4.908 25439 12623 1 17 . 1 1 119 119 THR HA H 119 4.450 4.450 4.609 -0.159 25439 12624 1 17 . 1 1 119 119 THR CA C 119 61.215 61.215 60.910 0.305 25439 12625 1 17 . 1 1 119 119 THR CB C 119 70.569 70.569 71.601 -1.032 25439 12626 1 17 . 1 1 119 119 THR H H 119 8.044 8.044 7.847 0.197 25439 12627 1 17 . 1 1 120 120 CYS N N 120 122.708 122.708 120.823 1.885 25439 12628 1 17 . 1 1 120 120 CYS HA H 120 4.255 4.255 4.759 -0.504 25439 12629 1 17 . 1 1 120 120 CYS CA C 120 61.469 61.469 57.427 4.042 25439 12630 1 17 . 1 1 120 120 CYS CB C 120 30.892 30.892 29.564 1.328 25439 12631 1 17 . 1 1 120 120 CYS H H 120 8.045 8.045 8.520 -0.475 25439 12632 1 17 . 1 1 121 121 ILE N N 121 132.463 132.463 123.766 8.697 25439 12633 1 17 . 1 1 121 121 ILE HA H 121 4.025 4.025 3.814 0.211 25439 12634 1 17 . 1 1 121 121 ILE CA C 121 63.353 63.353 63.084 0.270 25439 12635 1 17 . 1 1 121 121 ILE CB C 121 38.222 38.222 37.581 0.641 25439 12636 1 17 . 1 1 121 121 ILE H H 121 8.237 8.237 8.425 -0.188 25439 12637 1 17 . 1 1 122 122 CYS N N 122 123.931 123.931 118.107 5.824 25439 12638 1 17 . 1 1 122 122 CYS HA H 122 4.233 4.233 4.235 -0.002 25439 12639 1 17 . 1 1 122 122 CYS CA C 122 60.230 60.230 60.365 -0.135 25439 12640 1 17 . 1 1 122 122 CYS CB C 122 30.602 30.602 25.954 4.648 25439 12641 1 17 . 1 1 122 122 CYS H H 122 9.355 9.355 7.542 1.813 25439 12642 1 17 . 1 1 123 123 ARG N N 123 119.561 119.561 120.922 -1.361 25439 12643 1 17 . 1 1 123 123 ARG HA H 123 4.150 4.150 4.365 -0.215 25439 12644 1 17 . 1 1 123 123 ARG CA C 123 53.177 53.177 57.869 -4.692 25439 12645 1 17 . 1 1 123 123 ARG CB C 123 27.961 27.961 30.181 -2.220 25439 12646 1 17 . 1 1 123 123 ARG H H 123 7.677 7.677 7.559 0.118 25439 12647 1 17 . 1 1 124 124 VAL N N 124 122.794 122.794 121.320 1.474 25439 12648 1 17 . 1 1 124 124 VAL HA H 124 4.081 4.081 4.142 -0.061 25439 12649 1 17 . 1 1 124 124 VAL CA C 124 60.647 60.647 60.107 0.540 25439 12650 1 17 . 1 1 124 124 VAL CB C 124 32.857 32.857 31.038 1.819 25439 12651 1 17 . 1 1 124 124 VAL H H 124 7.578 7.578 7.473 0.105 25439 12652 1 17 . 1 1 125 125 PRO HA H 125 4.263 4.263 4.535 -0.272 25439 12653 1 17 . 1 1 125 125 PRO CA C 125 63.268 63.268 62.221 1.047 25439 12654 1 17 . 1 1 125 125 PRO CB C 125 32.379 32.379 32.860 -0.481 25439 12655 1 17 . 1 1 126 126 ARG N N 126 128.350 128.350 120.823 7.527 25439 12656 1 17 . 1 1 126 126 ARG HA H 126 3.912 3.912 4.066 -0.154 25439 12657 1 17 . 1 1 126 126 ARG CA C 126 59.653 59.653 59.183 0.470 25439 12658 1 17 . 1 1 126 126 ARG CB C 126 29.339 29.339 29.235 0.104 25439 12659 1 17 . 1 1 126 126 ARG H H 126 9.534 9.534 8.819 0.715 25439 12660 1 17 . 1 1 127 127 ALA N N 127 119.169 119.169 121.772 -2.603 25439 12661 1 17 . 1 1 127 127 ALA HA H 127 4.192 4.192 4.145 0.047 25439 12662 1 17 . 1 1 127 127 ALA CA C 127 55.227 55.227 55.029 0.198 25439 12663 1 17 . 1 1 127 127 ALA CB C 127 18.363 18.363 17.971 0.392 25439 12664 1 17 . 1 1 127 127 ALA H H 127 9.263 9.263 8.477 0.786 25439 12665 1 17 . 1 1 128 128 GLN N N 128 117.345 117.345 118.495 -1.150 25439 12666 1 17 . 1 1 128 128 GLN HA H 128 4.209 4.209 4.137 0.072 25439 12667 1 17 . 1 1 128 128 GLN CA C 128 58.506 58.506 58.737 -0.231 25439 12668 1 17 . 1 1 128 128 GLN CB C 128 28.220 28.220 28.174 0.046 25439 12669 1 17 . 1 1 128 128 GLN H H 128 7.448 7.448 8.362 -0.914 25439 12670 1 17 . 1 1 129 129 LEU N N 129 120.561 120.561 120.438 0.123 25439 12671 1 17 . 1 1 129 129 LEU HA H 129 4.088 4.088 3.899 0.189 25439 12672 1 17 . 1 1 129 129 LEU CA C 129 57.952 57.952 57.801 0.151 25439 12673 1 17 . 1 1 129 129 LEU CB C 129 41.817 41.817 41.825 -0.008 25439 12674 1 17 . 1 1 129 129 LEU H H 129 7.622 7.622 7.499 0.123 25439 12675 1 17 . 1 1 130 130 GLU N N 130 119.122 119.122 118.604 0.518 25439 12676 1 17 . 1 1 130 130 GLU HA H 130 3.956 3.956 3.890 0.066 25439 12677 1 17 . 1 1 130 130 GLU CA C 130 59.353 59.353 59.941 -0.587 25439 12678 1 17 . 1 1 130 130 GLU CB C 130 29.337 29.337 29.247 0.090 25439 12679 1 17 . 1 1 130 130 GLU H H 130 8.656 8.656 8.379 0.277 25439 12680 1 17 . 1 1 131 131 GLU N N 131 121.469 121.469 119.752 1.717 25439 12681 1 17 . 1 1 131 131 GLU HA H 131 4.163 4.163 4.014 0.149 25439 12682 1 17 . 1 1 131 131 GLU CA C 131 59.288 59.288 59.493 -0.205 25439 12683 1 17 . 1 1 131 131 GLU CB C 131 29.422 29.422 29.541 -0.119 25439 12684 1 17 . 1 1 131 131 GLU H H 131 7.922 7.922 7.632 0.290 25439 12685 1 17 . 1 1 132 132 GLU N N 132 119.241 119.241 118.805 0.436 25439 12686 1 17 . 1 1 132 132 GLU HA H 132 3.998 3.998 4.007 -0.009 25439 12687 1 17 . 1 1 132 132 GLU CA C 132 59.327 59.327 59.217 0.110 25439 12688 1 17 . 1 1 132 132 GLU CB C 132 29.421 29.421 29.305 0.116 25439 12689 1 17 . 1 1 132 132 GLU H H 132 8.099 8.099 7.629 0.470 25439 12690 1 17 . 1 1 133 133 ALA N N 133 121.302 121.302 121.904 -0.602 25439 12691 1 17 . 1 1 133 133 ALA HA H 133 4.053 4.053 4.044 0.009 25439 12692 1 17 . 1 1 133 133 ALA CA C 133 54.973 54.973 55.134 -0.161 25439 12693 1 17 . 1 1 133 133 ALA CB C 133 18.154 18.154 18.277 -0.123 25439 12694 1 17 . 1 1 133 133 ALA H H 133 7.795 7.795 7.857 -0.062 25439 12695 1 17 . 1 1 134 134 ARG N N 134 118.757 118.757 118.972 -0.215 25439 12696 1 17 . 1 1 134 134 ARG HA H 134 4.143 4.143 4.014 0.129 25439 12697 1 17 . 1 1 134 134 ARG CA C 134 59.438 59.438 59.325 0.113 25439 12698 1 17 . 1 1 134 134 ARG CB C 134 30.148 30.148 30.182 -0.034 25439 12699 1 17 . 1 1 134 134 ARG H H 134 8.145 8.145 7.738 0.407 25439 12700 1 17 . 1 1 135 135 LYS N N 135 119.496 119.496 119.518 -0.022 25439 12701 1 17 . 1 1 135 135 LYS HA H 135 4.073 4.073 4.105 -0.032 25439 12702 1 17 . 1 1 135 135 LYS CA C 135 59.327 59.327 58.956 0.371 25439 12703 1 17 . 1 1 135 135 LYS CB C 135 32.539 32.539 32.497 0.042 25439 12704 1 17 . 1 1 135 135 LYS H H 135 8.036 8.036 7.798 0.238 25439 12705 1 17 . 1 1 136 136 LYS N N 136 116.645 116.645 116.438 0.207 25439 12706 1 17 . 1 1 136 136 LYS HA H 136 4.362 4.362 4.450 -0.088 25439 12707 1 17 . 1 1 136 136 LYS CA C 136 56.575 56.575 55.306 1.270 25439 12708 1 17 . 1 1 136 136 LYS CB C 136 33.629 33.629 32.370 1.259 25439 12709 1 17 . 1 1 136 136 LYS H H 136 7.682 7.682 7.428 0.254 25439 12710 1 17 . 1 1 137 137 GLY N N 137 109.349 109.349 109.421 -0.072 25439 12711 1 17 . 1 1 137 137 GLY CA C 137 46.358 46.358 46.183 0.175 25439 12712 1 17 . 1 1 137 137 GLY H H 137 8.064 8.064 7.701 0.363 25439 12713 1 17 . 1 1 138 138 THR N N 138 112.870 112.870 113.546 -0.676 25439 12714 1 17 . 1 1 138 138 THR HA H 138 4.735 4.735 4.621 0.114 25439 12715 1 17 . 1 1 138 138 THR CA C 138 59.308 59.308 60.502 -1.194 25439 12716 1 17 . 1 1 138 138 THR CB C 138 70.755 70.755 71.251 -0.496 25439 12717 1 17 . 1 1 138 138 THR H H 138 8.111 8.111 7.975 0.136 25439 12718 1 17 . 1 1 139 139 GLN N N 139 118.177 118.177 120.368 -2.191 25439 12719 1 17 . 1 1 139 139 GLN HA H 139 4.609 4.609 4.629 -0.020 25439 12720 1 17 . 1 1 139 139 GLN CA C 139 54.435 54.435 55.387 -0.952 25439 12721 1 17 . 1 1 139 139 GLN CB C 139 30.777 30.777 30.885 -0.108 25439 12722 1 17 . 1 1 139 139 GLN H H 139 8.227 8.227 8.323 -0.096 25439 12723 1 17 . 1 1 140 140 VAL N N 140 123.601 123.601 121.065 2.536 25439 12724 1 17 . 1 1 140 140 VAL HA H 140 3.790 3.790 4.454 -0.664 25439 12725 1 17 . 1 1 140 140 VAL CA C 140 63.934 63.934 61.393 2.541 25439 12726 1 17 . 1 1 140 140 VAL CB C 140 32.154 32.154 33.401 -1.246 25439 12727 1 17 . 1 1 140 140 VAL H H 140 8.839 8.839 8.223 0.615 25439 12728 1 17 . 1 1 141 141 SER HA H 141 4.524 4.524 4.581 -0.057 25439 12729 1 17 . 1 1 141 141 SER CA C 141 57.841 57.841 57.950 -0.109 25439 12730 1 17 . 1 1 141 141 SER CB C 141 64.174 64.174 63.263 0.911 25439 12731 1 17 . 1 1 142 142 PHE N N 142 123.726 123.726 124.759 -1.033 25439 12732 1 17 . 1 1 142 142 PHE HA H 142 4.458 4.458 4.579 -0.121 25439 12733 1 17 . 1 1 142 142 PHE CA C 142 58.673 58.673 57.935 0.738 25439 12734 1 17 . 1 1 142 142 PHE CB C 142 40.055 40.055 40.384 -0.329 25439 12735 1 17 . 1 1 142 142 PHE H H 142 7.534 7.534 8.102 -0.568 25439 12736 1 17 . 1 1 143 143 HIS N N 143 126.548 126.548 117.987 8.561 25439 12737 1 17 . 1 1 143 143 HIS HA H 143 4.336 4.336 4.356 -0.020 25439 12738 1 17 . 1 1 143 143 HIS CA C 143 56.837 56.837 55.867 0.970 25439 12739 1 17 . 1 1 143 143 HIS CB C 143 31.949 31.949 31.744 0.205 25439 12740 1 17 . 1 1 143 143 HIS H H 143 8.308 8.308 7.227 1.081 25439 12741 1 17 . 1 1 144 144 GLN N N 144 115.094 115.094 116.471 -1.377 25439 12742 1 17 . 1 1 144 144 GLN HA H 144 4.433 4.433 4.700 -0.267 25439 12743 1 17 . 1 1 144 144 GLN CA C 144 54.210 54.210 53.282 0.928 25439 12744 1 17 . 1 1 144 144 GLN CB C 144 32.925 32.925 31.919 1.006 25439 12745 1 17 . 1 1 144 144 GLN H H 144 7.203 7.203 6.969 0.234 25439 12746 1 17 . 1 1 145 145 CYS N N 145 123.088 123.088 118.360 4.728 25439 12747 1 17 . 1 1 145 145 CYS HA H 145 4.961 4.961 5.050 -0.089 25439 12748 1 17 . 1 1 145 145 CYS CA C 145 57.978 57.978 56.966 1.012 25439 12749 1 17 . 1 1 145 145 CYS CB C 145 33.555 33.555 30.147 3.408 25439 12750 1 17 . 1 1 145 145 CYS H H 145 8.668 8.668 8.420 0.248 25439 12751 1 17 . 1 1 146 146 VAL N N 146 113.265 113.265 121.317 -8.052 25439 12752 1 17 . 1 1 146 146 VAL HA H 146 4.238 4.238 4.198 0.040 25439 12753 1 17 . 1 1 146 146 VAL CA C 146 64.001 64.001 65.265 -1.264 25439 12754 1 17 . 1 1 146 146 VAL CB C 146 32.157 32.157 32.176 -0.019 25439 12755 1 17 . 1 1 146 146 VAL H H 146 8.198 8.198 8.493 -0.295 25439 12756 1 17 . 1 1 147 147 HIS N N 147 120.556 120.556 117.689 2.867 25439 12757 1 17 . 1 1 147 147 HIS HA H 147 4.604 4.604 4.340 0.265 25439 12758 1 17 . 1 1 147 147 HIS CA C 147 58.708 58.708 58.269 0.439 25439 12759 1 17 . 1 1 147 147 HIS CB C 147 32.204 32.204 29.272 2.932 25439 12760 1 17 . 1 1 147 147 HIS H H 147 7.151 7.151 8.340 -1.189 25439 12761 1 17 . 1 1 148 148 CYS N N 148 112.110 112.110 112.911 -0.801 25439 12762 1 17 . 1 1 148 148 CYS HA H 148 4.889 4.889 4.234 0.655 25439 12763 1 17 . 1 1 148 148 CYS CA C 148 57.952 57.952 55.559 2.393 25439 12764 1 17 . 1 1 148 148 CYS CB C 148 32.956 32.956 30.208 2.748 25439 12765 1 17 . 1 1 148 148 CYS H H 148 7.413 7.413 7.128 0.285 25439 12766 1 17 . 1 1 149 149 GLY N N 149 112.797 112.797 108.089 4.708 25439 12767 1 17 . 1 1 149 149 GLY CA C 149 45.327 45.327 44.590 0.737 25439 12768 1 17 . 1 1 149 149 GLY H H 149 6.949 6.949 8.277 -1.328 25439 12769 1 17 . 1 1 150 150 CYS N N 150 127.277 127.277 121.478 5.799 25439 12770 1 17 . 1 1 150 150 CYS HA H 150 3.932 3.932 4.582 -0.650 25439 12771 1 17 . 1 1 150 150 CYS CA C 150 61.362 61.362 57.363 3.999 25439 12772 1 17 . 1 1 150 150 CYS CB C 150 30.632 30.632 29.799 0.833 25439 12773 1 17 . 1 1 150 150 CYS H H 150 8.240 8.240 7.312 0.928 25439 12774 1 17 . 1 1 151 151 ARG N N 151 125.476 125.476 127.848 -2.372 25439 12775 1 17 . 1 1 151 151 ARG HA H 151 4.775 4.775 4.335 0.440 25439 12776 1 17 . 1 1 151 151 ARG CA C 151 56.164 56.164 54.510 1.654 25439 12777 1 17 . 1 1 151 151 ARG CB C 151 30.354 30.354 28.860 1.494 25439 12778 1 17 . 1 1 151 151 ARG H H 151 8.492 8.492 8.647 -0.155 25439 12779 1 17 . 1 1 152 152 GLY N N 152 117.275 117.275 108.938 8.337 25439 12780 1 17 . 1 1 152 152 GLY CA C 152 45.523 45.523 45.673 -0.150 25439 12781 1 17 . 1 1 152 152 GLY H H 152 9.812 9.812 7.720 2.092 25439 12782 1 17 . 1 1 153 153 CYS N N 153 126.187 126.187 118.978 7.209 25439 12783 1 17 . 1 1 153 153 CYS HA H 153 4.842 4.842 4.791 0.051 25439 12784 1 17 . 1 1 153 153 CYS CA C 153 57.130 57.130 55.842 1.288 25439 12785 1 17 . 1 1 153 153 CYS CB C 153 31.368 31.368 27.994 3.374 25439 12786 1 17 . 1 1 153 153 CYS H H 153 8.930 8.930 8.137 0.793 25439 12787 1 17 . 1 1 154 154 ALA N N 154 125.869 125.869 126.167 -0.298 25439 12788 1 17 . 1 1 154 154 ALA HA H 154 4.159 4.159 5.080 -0.921 25439 12789 1 17 . 1 1 154 154 ALA CA C 154 53.187 53.187 51.261 1.925 25439 12790 1 17 . 1 1 154 154 ALA CB C 154 18.937 18.937 21.212 -2.275 25439 12791 1 17 . 1 1 154 154 ALA H H 154 8.616 8.616 8.493 0.123 25439 12792 1 17 . 1 1 155 155 SER N N 155 116.724 116.724 116.551 0.173 25439 12793 1 17 . 1 1 155 155 SER HA H 155 4.283 4.283 4.468 -0.185 25439 12794 1 17 . 1 1 155 155 SER CA C 155 60.136 60.136 59.581 0.555 25439 12795 1 17 . 1 1 155 155 SER CB C 155 63.575 63.575 63.865 -0.290 25439 12796 1 17 . 1 1 155 155 SER H H 155 9.358 9.358 8.538 0.820 25439 12797 1 17 . 1 1 156 156 THR N N 156 111.893 111.893 114.531 -2.638 25439 12798 1 17 . 1 1 156 156 THR HA H 156 4.358 4.358 4.563 -0.205 25439 12799 1 17 . 1 1 156 156 THR CA C 156 61.264 61.264 62.810 -1.546 25439 12800 1 17 . 1 1 156 156 THR CB C 156 69.999 69.999 68.937 1.062 25439 12801 1 17 . 1 1 156 156 THR H H 156 7.638 7.638 7.970 -0.332 25439 12802 1 18 . 1 1 0 0 GLY CA C 0 43.750 43.750 44.502 -0.752 25439 12803 1 18 . 1 1 1 1 SER N N 1 117.201 117.201 115.281 1.920 25439 12804 1 18 . 1 1 1 1 SER HA H 1 4.809 4.809 4.711 0.098 25439 12805 1 18 . 1 1 1 1 SER CA C 1 56.525 56.525 56.017 0.508 25439 12806 1 18 . 1 1 1 1 SER CB C 1 63.385 63.385 64.941 -1.556 25439 12807 1 18 . 1 1 1 1 SER H H 1 8.381 8.381 8.156 0.225 25439 12808 1 18 . 1 1 2 2 PRO HA H 2 4.468 4.468 4.481 -0.013 25439 12809 1 18 . 1 1 2 2 PRO CA C 2 63.292 63.292 63.051 0.241 25439 12810 1 18 . 1 1 2 2 PRO CB C 2 32.174 32.174 31.692 0.482 25439 12811 1 18 . 1 1 3 3 ARG N N 3 121.649 121.649 123.647 -1.998 25439 12812 1 18 . 1 1 3 3 ARG HA H 3 4.324 4.324 4.605 -0.281 25439 12813 1 18 . 1 1 3 3 ARG CA C 3 56.226 56.226 55.809 0.417 25439 12814 1 18 . 1 1 3 3 ARG CB C 3 30.732 30.732 30.350 0.382 25439 12815 1 18 . 1 1 3 3 ARG H H 3 8.428 8.428 8.525 -0.097 25439 12816 1 18 . 1 1 4 4 ILE N N 4 122.500 122.500 119.953 2.547 25439 12817 1 18 . 1 1 4 4 ILE HA H 4 4.181 4.181 4.280 -0.099 25439 12818 1 18 . 1 1 4 4 ILE CA C 4 60.943 60.943 62.241 -1.298 25439 12819 1 18 . 1 1 4 4 ILE CB C 4 38.751 38.751 38.197 0.554 25439 12820 1 18 . 1 1 4 4 ILE H H 4 8.165 8.165 8.030 0.135 25439 12821 1 18 . 1 1 5 5 LYS N N 5 126.237 126.237 121.186 5.051 25439 12822 1 18 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.616 -0.214 25439 12823 1 18 . 1 1 5 5 LYS CA C 5 56.422 56.422 55.724 0.698 25439 12824 1 18 . 1 1 5 5 LYS CB C 5 33.130 33.130 33.990 -0.860 25439 12825 1 18 . 1 1 5 5 LYS H H 5 8.500 8.500 7.863 0.637 25439 12826 1 18 . 1 1 6 6 THR N N 6 116.495 116.495 114.967 1.528 25439 12827 1 18 . 1 1 6 6 THR HA H 6 4.323 4.323 4.684 -0.361 25439 12828 1 18 . 1 1 6 6 THR CA C 6 61.918 61.918 61.296 0.622 25439 12829 1 18 . 1 1 6 6 THR CB C 6 69.963 69.963 70.179 -0.216 25439 12830 1 18 . 1 1 6 6 THR H H 6 8.194 8.194 8.292 -0.098 25439 12831 1 18 . 1 1 7 7 ARG N N 7 124.128 124.128 119.364 4.764 25439 12832 1 18 . 1 1 7 7 ARG HA H 7 4.396 4.396 4.624 -0.228 25439 12833 1 18 . 1 1 7 7 ARG CA C 7 56.128 56.128 55.281 0.847 25439 12834 1 18 . 1 1 7 7 ARG CB C 7 30.953 30.953 32.563 -1.610 25439 12835 1 18 . 1 1 7 7 ARG H H 7 8.458 8.458 8.460 -0.002 25439 12836 1 18 . 1 1 8 8 ARG N N 8 123.384 123.384 121.311 2.073 25439 12837 1 18 . 1 1 8 8 ARG HA H 8 4.424 4.424 4.671 -0.247 25439 12838 1 18 . 1 1 8 8 ARG CA C 8 56.011 56.011 55.995 0.016 25439 12839 1 18 . 1 1 8 8 ARG CB C 8 31.058 31.058 31.537 -0.479 25439 12840 1 18 . 1 1 8 8 ARG H H 8 8.526 8.526 8.479 0.047 25439 12841 1 18 . 1 1 9 9 SER N N 9 118.446 118.446 117.488 0.958 25439 12842 1 18 . 1 1 9 9 SER HA H 9 4.473 4.473 4.662 -0.189 25439 12843 1 18 . 1 1 9 9 SER CA C 9 58.568 58.568 58.160 0.408 25439 12844 1 18 . 1 1 9 9 SER CB C 9 63.986 63.986 64.275 -0.289 25439 12845 1 18 . 1 1 9 9 SER H H 9 8.450 8.450 8.516 -0.066 25439 12846 1 18 . 1 1 10 10 LYS N N 10 124.117 124.117 125.260 -1.143 25439 12847 1 18 . 1 1 10 10 LYS HA H 10 4.673 4.673 4.805 -0.132 25439 12848 1 18 . 1 1 10 10 LYS CA C 10 54.412 54.412 53.796 0.616 25439 12849 1 18 . 1 1 10 10 LYS CB C 10 32.693 32.693 33.442 -0.749 25439 12850 1 18 . 1 1 10 10 LYS H H 10 8.426 8.426 8.344 0.082 25439 12851 1 18 . 1 1 11 11 PRO HA H 11 4.360 4.360 4.414 -0.054 25439 12852 1 18 . 1 1 11 11 PRO CA C 11 62.861 62.861 62.697 0.164 25439 12853 1 18 . 1 1 11 11 PRO CB C 11 32.106 32.106 32.120 -0.014 25439 12854 1 18 . 1 1 12 12 ALA N N 12 124.420 124.420 120.627 3.793 25439 12855 1 18 . 1 1 12 12 ALA HA H 12 2.889 2.889 2.710 0.179 25439 12856 1 18 . 1 1 12 12 ALA CA C 12 49.735 49.735 50.777 -1.042 25439 12857 1 18 . 1 1 12 12 ALA CB C 12 18.066 18.066 16.535 1.531 25439 12858 1 18 . 1 1 12 12 ALA H H 12 7.890 7.890 7.723 0.167 25439 12859 1 18 . 1 1 13 13 PRO HA H 13 4.207 4.207 4.463 -0.256 25439 12860 1 18 . 1 1 13 13 PRO CA C 13 62.111 62.111 61.634 0.477 25439 12861 1 18 . 1 1 13 13 PRO CB C 13 32.582 32.582 32.493 0.089 25439 12862 1 18 . 1 1 14 14 ASP N N 14 119.535 119.535 120.240 -0.705 25439 12863 1 18 . 1 1 14 14 ASP HA H 14 4.379 4.379 4.311 0.068 25439 12864 1 18 . 1 1 14 14 ASP CA C 14 56.427 56.427 57.385 -0.958 25439 12865 1 18 . 1 1 14 14 ASP CB C 14 41.177 41.177 40.546 0.631 25439 12866 1 18 . 1 1 14 14 ASP H H 14 8.206 8.206 8.684 -0.477 25439 12867 1 18 . 1 1 15 15 GLY N N 15 113.273 113.273 107.730 5.543 25439 12868 1 18 . 1 1 15 15 GLY CA C 15 45.146 45.146 46.678 -1.532 25439 12869 1 18 . 1 1 15 15 GLY H H 15 8.723 8.723 8.477 0.246 25439 12870 1 18 . 1 1 16 16 PHE N N 16 123.113 123.113 122.679 0.434 25439 12871 1 18 . 1 1 16 16 PHE HA H 16 4.125 4.125 4.230 -0.105 25439 12872 1 18 . 1 1 16 16 PHE CA C 16 60.715 60.715 59.492 1.223 25439 12873 1 18 . 1 1 16 16 PHE CB C 16 39.639 39.639 39.044 0.595 25439 12874 1 18 . 1 1 16 16 PHE H H 16 8.127 8.127 8.306 -0.180 25439 12875 1 18 . 1 1 17 17 GLU N N 17 115.695 115.695 119.506 -3.811 25439 12876 1 18 . 1 1 17 17 GLU HA H 17 3.768 3.768 3.800 -0.032 25439 12877 1 18 . 1 1 17 17 GLU CA C 17 59.234 59.234 59.379 -0.145 25439 12878 1 18 . 1 1 17 17 GLU CB C 17 28.495 28.495 29.357 -0.862 25439 12879 1 18 . 1 1 17 17 GLU H H 17 9.088 9.088 8.042 1.046 25439 12880 1 18 . 1 1 18 18 LYS N N 18 115.887 115.887 117.184 -1.297 25439 12881 1 18 . 1 1 18 18 LYS HA H 18 4.165 4.165 4.066 0.099 25439 12882 1 18 . 1 1 18 18 LYS CA C 18 58.249 58.249 58.554 -0.305 25439 12883 1 18 . 1 1 18 18 LYS CB C 18 32.725 32.725 32.815 -0.090 25439 12884 1 18 . 1 1 18 18 LYS H H 18 7.285 7.285 7.875 -0.590 25439 12885 1 18 . 1 1 19 19 ILE N N 19 110.277 110.277 110.455 -0.178 25439 12886 1 18 . 1 1 19 19 ILE HA H 19 4.722 4.722 4.763 -0.041 25439 12887 1 18 . 1 1 19 19 ILE CA C 19 61.093 61.093 59.776 1.317 25439 12888 1 18 . 1 1 19 19 ILE CB C 19 39.139 39.139 38.253 0.886 25439 12889 1 18 . 1 1 19 19 ILE H H 19 7.031 7.031 7.496 -0.465 25439 12890 1 18 . 1 1 20 20 LYS N N 20 124.540 124.540 122.757 1.783 25439 12891 1 18 . 1 1 20 20 LYS HA H 20 3.603 3.603 3.875 -0.272 25439 12892 1 18 . 1 1 20 20 LYS CA C 20 60.917 60.917 59.798 1.119 25439 12893 1 18 . 1 1 20 20 LYS CB C 20 30.210 30.210 30.554 -0.344 25439 12894 1 18 . 1 1 20 20 LYS H H 20 7.666 7.666 7.603 0.063 25439 12895 1 18 . 1 1 21 21 PRO HA H 21 4.292 4.292 4.562 -0.270 25439 12896 1 18 . 1 1 21 21 PRO CA C 21 66.990 66.990 65.357 1.633 25439 12897 1 18 . 1 1 21 21 PRO CB C 21 30.779 30.779 31.540 -0.761 25439 12898 1 18 . 1 1 22 22 THR N N 22 114.917 114.917 115.297 -0.380 25439 12899 1 18 . 1 1 22 22 THR HA H 22 3.866 3.866 4.034 -0.168 25439 12900 1 18 . 1 1 22 22 THR CA C 22 66.575 66.575 66.563 0.012 25439 12901 1 18 . 1 1 22 22 THR CB C 22 68.731 68.731 68.466 0.265 25439 12902 1 18 . 1 1 22 22 THR H H 22 7.331 7.331 8.209 -0.878 25439 12903 1 18 . 1 1 23 23 LEU N N 23 120.152 120.152 120.479 -0.327 25439 12904 1 18 . 1 1 23 23 LEU HA H 23 4.397 4.397 4.067 0.330 25439 12905 1 18 . 1 1 23 23 LEU CA C 23 58.740 58.740 57.793 0.947 25439 12906 1 18 . 1 1 23 23 LEU CB C 23 40.489 40.489 41.886 -1.397 25439 12907 1 18 . 1 1 23 23 LEU H H 23 7.991 7.991 7.559 0.432 25439 12908 1 18 . 1 1 24 24 THR N N 24 119.365 119.365 114.290 5.075 25439 12909 1 18 . 1 1 24 24 THR HA H 24 4.095 4.095 3.965 0.130 25439 12910 1 18 . 1 1 24 24 THR CA C 24 66.834 66.834 66.960 -0.126 25439 12911 1 18 . 1 1 24 24 THR CB C 24 68.614 68.614 68.353 0.261 25439 12912 1 18 . 1 1 24 24 THR H H 24 9.175 9.175 7.510 1.665 25439 12913 1 18 . 1 1 25 25 ASP N N 25 122.865 122.865 121.672 1.193 25439 12914 1 18 . 1 1 25 25 ASP HA H 25 4.483 4.483 4.371 0.112 25439 12915 1 18 . 1 1 25 25 ASP CA C 25 58.158 58.158 57.765 0.393 25439 12916 1 18 . 1 1 25 25 ASP CB C 25 40.329 40.329 40.375 -0.046 25439 12917 1 18 . 1 1 25 25 ASP H H 25 7.714 7.714 7.617 0.097 25439 12918 1 18 . 1 1 26 26 PHE N N 26 116.182 116.182 118.212 -2.030 25439 12919 1 18 . 1 1 26 26 PHE HA H 26 4.457 4.457 4.145 0.312 25439 12920 1 18 . 1 1 26 26 PHE CA C 26 62.531 62.531 61.863 0.668 25439 12921 1 18 . 1 1 26 26 PHE CB C 26 39.468 39.468 38.901 0.567 25439 12922 1 18 . 1 1 26 26 PHE H H 26 7.816 7.816 7.859 -0.043 25439 12923 1 18 . 1 1 27 27 GLU N N 27 120.107 120.107 118.756 1.351 25439 12924 1 18 . 1 1 27 27 GLU HA H 27 4.113 4.113 4.053 0.060 25439 12925 1 18 . 1 1 27 27 GLU CA C 27 59.852 59.852 59.636 0.216 25439 12926 1 18 . 1 1 27 27 GLU CB C 27 29.692 29.692 29.035 0.657 25439 12927 1 18 . 1 1 27 27 GLU H H 27 8.068 8.068 7.946 0.122 25439 12928 1 18 . 1 1 28 28 ILE N N 28 121.494 121.494 119.164 2.330 25439 12929 1 18 . 1 1 28 28 ILE HA H 28 3.718 3.718 3.861 -0.143 25439 12930 1 18 . 1 1 28 28 ILE CA C 28 65.002 65.002 64.582 0.420 25439 12931 1 18 . 1 1 28 28 ILE CB C 28 38.023 38.023 38.079 -0.056 25439 12932 1 18 . 1 1 28 28 ILE H H 28 8.531 8.531 7.671 0.860 25439 12933 1 18 . 1 1 29 29 GLN N N 29 118.941 118.941 119.953 -1.012 25439 12934 1 18 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.117 0.063 25439 12935 1 18 . 1 1 29 29 GLN CA C 29 59.507 59.507 58.800 0.707 25439 12936 1 18 . 1 1 29 29 GLN CB C 29 29.783 29.783 28.410 1.373 25439 12937 1 18 . 1 1 29 29 GLN H H 29 8.117 8.117 7.468 0.649 25439 12938 1 18 . 1 1 30 30 LEU N N 30 121.724 121.724 120.627 1.097 25439 12939 1 18 . 1 1 30 30 LEU HA H 30 4.032 4.032 4.166 -0.134 25439 12940 1 18 . 1 1 30 30 LEU CA C 30 58.333 58.333 57.913 0.420 25439 12941 1 18 . 1 1 30 30 LEU CB C 30 42.339 42.339 42.052 0.287 25439 12942 1 18 . 1 1 30 30 LEU H H 30 8.677 8.677 8.845 -0.168 25439 12943 1 18 . 1 1 31 31 ARG N N 31 120.629 120.629 118.880 1.749 25439 12944 1 18 . 1 1 31 31 ARG HA H 31 4.105 4.105 4.039 0.066 25439 12945 1 18 . 1 1 31 31 ARG CA C 31 59.340 59.340 59.376 -0.036 25439 12946 1 18 . 1 1 31 31 ARG CB C 31 30.044 30.044 29.371 0.673 25439 12947 1 18 . 1 1 31 31 ARG H H 31 8.227 8.227 8.110 0.117 25439 12948 1 18 . 1 1 32 32 ASP N N 32 120.233 120.233 120.889 -0.656 25439 12949 1 18 . 1 1 32 32 ASP HA H 32 4.484 4.484 4.417 0.067 25439 12950 1 18 . 1 1 32 32 ASP CA C 32 57.199 57.199 57.556 -0.356 25439 12951 1 18 . 1 1 32 32 ASP CB C 32 40.202 40.202 40.718 -0.516 25439 12952 1 18 . 1 1 32 32 ASP H H 32 8.407 8.407 7.761 0.646 25439 12953 1 18 . 1 1 33 33 ALA N N 33 121.939 121.939 122.508 -0.569 25439 12954 1 18 . 1 1 33 33 ALA HA H 33 4.321 4.321 3.937 0.385 25439 12955 1 18 . 1 1 33 33 ALA CA C 33 54.207 54.207 55.059 -0.852 25439 12956 1 18 . 1 1 33 33 ALA CB C 33 18.738 18.738 18.446 0.292 25439 12957 1 18 . 1 1 33 33 ALA H H 33 8.057 8.057 7.554 0.503 25439 12958 1 18 . 1 1 34 34 GLN N N 34 114.736 114.736 117.699 -2.963 25439 12959 1 18 . 1 1 34 34 GLN HA H 34 4.248 4.248 4.034 0.214 25439 12960 1 18 . 1 1 34 34 GLN CA C 34 56.567 56.567 59.031 -2.464 25439 12961 1 18 . 1 1 34 34 GLN CB C 34 29.743 29.743 28.688 1.055 25439 12962 1 18 . 1 1 34 34 GLN H H 34 7.746 7.746 8.035 -0.289 25439 12963 1 18 . 1 1 35 35 LYS N N 35 120.534 120.534 118.440 2.094 25439 12964 1 18 . 1 1 35 35 LYS HA H 35 4.232 4.232 4.211 0.021 25439 12965 1 18 . 1 1 35 35 LYS CA C 35 57.427 57.427 58.153 -0.726 25439 12966 1 18 . 1 1 35 35 LYS CB C 35 32.887 32.887 32.304 0.583 25439 12967 1 18 . 1 1 35 35 LYS H H 35 7.570 7.570 8.090 -0.520 25439 12968 1 18 . 1 1 36 36 ASP N N 36 120.943 120.943 119.713 1.230 25439 12969 1 18 . 1 1 36 36 ASP HA H 36 4.595 4.595 4.394 0.201 25439 12970 1 18 . 1 1 36 36 ASP CA C 36 54.983 54.983 57.223 -2.240 25439 12971 1 18 . 1 1 36 36 ASP CB C 36 41.129 41.129 40.900 0.229 25439 12972 1 18 . 1 1 36 36 ASP H H 36 8.375 8.375 8.034 0.341 25439 12973 1 18 . 1 1 37 37 LYS N N 37 122.598 122.598 117.878 4.720 25439 12974 1 18 . 1 1 37 37 LYS HA H 37 4.365 4.365 4.199 0.166 25439 12975 1 18 . 1 1 37 37 LYS CA C 37 56.725 56.725 57.294 -0.570 25439 12976 1 18 . 1 1 37 37 LYS CB C 37 32.823 32.823 33.493 -0.670 25439 12977 1 18 . 1 1 37 37 LYS H H 37 8.446 8.446 7.324 1.122 25439 12978 1 18 . 1 1 38 38 SER N N 38 115.849 115.849 114.283 1.566 25439 12979 1 18 . 1 1 38 38 SER HA H 38 4.423 4.423 4.178 0.245 25439 12980 1 18 . 1 1 38 38 SER CA C 38 59.193 59.193 58.478 0.715 25439 12981 1 18 . 1 1 38 38 SER CB C 38 63.744 63.744 62.051 1.693 25439 12982 1 18 . 1 1 38 38 SER H H 38 8.392 8.392 7.848 0.544 25439 12983 1 18 . 1 1 39 39 SER N N 39 117.258 117.258 114.141 3.117 25439 12984 1 18 . 1 1 39 39 SER HA H 39 4.445 4.445 4.207 0.238 25439 12985 1 18 . 1 1 39 39 SER CA C 39 58.933 58.933 59.397 -0.464 25439 12986 1 18 . 1 1 39 39 SER CB C 39 63.711 63.711 63.147 0.564 25439 12987 1 18 . 1 1 39 39 SER H H 39 8.283 8.283 8.292 -0.009 25439 12988 1 18 . 1 1 40 40 LYS N N 40 122.427 122.427 120.748 1.679 25439 12989 1 18 . 1 1 40 40 LYS HA H 40 4.321 4.321 3.978 0.343 25439 12990 1 18 . 1 1 40 40 LYS CA C 40 56.847 56.847 57.536 -0.689 25439 12991 1 18 . 1 1 40 40 LYS CB C 40 32.764 32.764 31.898 0.866 25439 12992 1 18 . 1 1 40 40 LYS H H 40 8.263 8.263 8.355 -0.092 25439 12993 1 18 . 1 1 41 41 LEU N N 41 121.281 121.281 122.727 -1.446 25439 12994 1 18 . 1 1 41 41 LEU HA H 41 4.308 4.308 4.503 -0.195 25439 12995 1 18 . 1 1 41 41 LEU CA C 41 55.335 55.335 55.736 -0.401 25439 12996 1 18 . 1 1 41 41 LEU CB C 41 42.212 42.212 43.503 -1.291 25439 12997 1 18 . 1 1 41 41 LEU H H 41 8.068 8.068 8.517 -0.449 25439 12998 1 18 . 1 1 42 42 ALA N N 42 123.964 123.964 121.998 1.966 25439 12999 1 18 . 1 1 42 42 ALA HA H 42 4.274 4.274 4.659 -0.385 25439 13000 1 18 . 1 1 42 42 ALA CA C 42 52.851 52.851 51.548 1.303 25439 13001 1 18 . 1 1 42 42 ALA CB C 42 19.135 19.135 20.372 -1.236 25439 13002 1 18 . 1 1 42 42 ALA H H 42 8.111 8.111 8.026 0.085 25439 13003 1 18 . 1 1 43 43 ALA N N 43 122.146 122.146 120.470 1.676 25439 13004 1 18 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.657 -0.360 25439 13005 1 18 . 1 1 43 43 ALA CA C 43 52.727 52.727 51.401 1.326 25439 13006 1 18 . 1 1 43 43 ALA CB C 43 19.318 19.318 19.653 -0.335 25439 13007 1 18 . 1 1 43 43 ALA H H 43 8.101 8.101 7.974 0.127 25439 13008 1 18 . 1 1 44 44 LYS N N 44 119.454 119.454 118.029 1.425 25439 13009 1 18 . 1 1 44 44 LYS HA H 44 4.349 4.349 4.011 0.338 25439 13010 1 18 . 1 1 44 44 LYS CA C 44 56.267 56.267 56.597 -0.330 25439 13011 1 18 . 1 1 44 44 LYS CB C 44 32.825 32.825 31.293 1.532 25439 13012 1 18 . 1 1 44 44 LYS H H 44 8.198 8.198 8.405 -0.207 25439 13013 1 18 . 1 1 45 45 SER N N 45 116.660 116.660 115.256 1.404 25439 13014 1 18 . 1 1 45 45 SER HA H 45 4.368 4.368 4.434 -0.066 25439 13015 1 18 . 1 1 45 45 SER CA C 45 58.477 58.477 60.378 -1.901 25439 13016 1 18 . 1 1 45 45 SER CB C 45 64.063 64.063 64.165 -0.102 25439 13017 1 18 . 1 1 45 45 SER H H 45 8.251 8.251 8.267 -0.016 25439 13018 1 18 . 1 1 46 46 ASN N N 46 120.516 120.516 119.504 1.012 25439 13019 1 18 . 1 1 46 46 ASN HA H 46 4.361 4.361 4.051 0.310 25439 13020 1 18 . 1 1 46 46 ASN CA C 46 54.657 54.657 56.570 -1.913 25439 13021 1 18 . 1 1 46 46 ASN CB C 46 37.649 37.649 37.819 -0.170 25439 13022 1 18 . 1 1 46 46 ASN H H 46 8.498 8.498 8.508 -0.010 25439 13023 1 18 . 1 1 47 47 GLU N N 47 117.964 117.964 116.756 1.208 25439 13024 1 18 . 1 1 47 47 GLU HA H 47 3.350 3.350 3.272 0.078 25439 13025 1 18 . 1 1 47 47 GLU CA C 47 59.213 59.213 59.312 -0.099 25439 13026 1 18 . 1 1 47 47 GLU CB C 47 28.998 28.998 29.134 -0.136 25439 13027 1 18 . 1 1 47 47 GLU H H 47 8.016 8.016 8.128 -0.112 25439 13028 1 18 . 1 1 48 48 GLN N N 48 119.468 119.468 119.510 -0.042 25439 13029 1 18 . 1 1 48 48 GLN HA H 48 4.250 4.250 4.096 0.154 25439 13030 1 18 . 1 1 48 48 GLN CA C 48 58.529 58.529 58.090 0.439 25439 13031 1 18 . 1 1 48 48 GLN CB C 48 28.902 28.902 28.101 0.801 25439 13032 1 18 . 1 1 48 48 GLN H H 48 7.892 7.892 7.681 0.211 25439 13033 1 18 . 1 1 49 49 LEU N N 49 120.145 120.145 120.612 -0.467 25439 13034 1 18 . 1 1 49 49 LEU HA H 49 4.232 4.232 3.954 0.278 25439 13035 1 18 . 1 1 49 49 LEU CA C 49 57.479 57.479 57.961 -0.482 25439 13036 1 18 . 1 1 49 49 LEU CB C 49 41.391 41.391 41.936 -0.545 25439 13037 1 18 . 1 1 49 49 LEU H H 49 7.699 7.699 8.392 -0.693 25439 13038 1 18 . 1 1 50 50 TRP N N 50 119.596 119.596 118.224 1.372 25439 13039 1 18 . 1 1 50 50 TRP HA H 50 4.520 4.520 4.489 0.031 25439 13040 1 18 . 1 1 50 50 TRP CA C 50 58.353 58.353 57.186 1.167 25439 13041 1 18 . 1 1 50 50 TRP CB C 50 28.880 28.880 27.979 0.901 25439 13042 1 18 . 1 1 50 50 TRP H H 50 8.385 8.385 8.052 0.333 25439 13043 1 18 . 1 1 51 51 GLU N N 51 119.362 119.362 119.288 0.074 25439 13044 1 18 . 1 1 51 51 GLU HA H 51 4.145 4.145 4.159 -0.014 25439 13045 1 18 . 1 1 51 51 GLU CA C 51 60.035 60.035 59.536 0.499 25439 13046 1 18 . 1 1 51 51 GLU CB C 51 29.675 29.675 29.257 0.418 25439 13047 1 18 . 1 1 51 51 GLU H H 51 8.223 8.223 7.767 0.456 25439 13048 1 18 . 1 1 52 52 ILE N N 52 119.018 119.018 119.508 -0.490 25439 13049 1 18 . 1 1 52 52 ILE HA H 52 3.673 3.673 3.703 -0.030 25439 13050 1 18 . 1 1 52 52 ILE CA C 52 65.511 65.511 65.213 0.298 25439 13051 1 18 . 1 1 52 52 ILE CB C 52 38.532 38.532 38.002 0.530 25439 13052 1 18 . 1 1 52 52 ILE H H 52 7.801 7.801 7.716 0.085 25439 13053 1 18 . 1 1 53 53 MET N N 53 118.133 118.133 116.651 1.482 25439 13054 1 18 . 1 1 53 53 MET HA H 53 4.452 4.452 4.067 0.385 25439 13055 1 18 . 1 1 53 53 MET CA C 53 58.216 58.216 58.633 -0.417 25439 13056 1 18 . 1 1 53 53 MET CB C 53 31.838 31.838 31.861 -0.024 25439 13057 1 18 . 1 1 53 53 MET H H 53 8.411 8.411 7.627 0.784 25439 13058 1 18 . 1 1 54 54 GLN N N 54 120.855 120.855 118.927 1.928 25439 13059 1 18 . 1 1 54 54 GLN HA H 54 4.333 4.333 4.018 0.315 25439 13060 1 18 . 1 1 54 54 GLN CA C 54 59.004 59.004 58.831 0.173 25439 13061 1 18 . 1 1 54 54 GLN CB C 54 27.824 27.824 28.791 -0.967 25439 13062 1 18 . 1 1 54 54 GLN H H 54 8.860 8.860 8.384 0.476 25439 13063 1 18 . 1 1 55 55 LEU N N 55 122.788 122.788 119.751 3.037 25439 13064 1 18 . 1 1 55 55 LEU HA H 55 4.302 4.302 4.164 0.138 25439 13065 1 18 . 1 1 55 55 LEU CA C 55 58.685 58.685 57.814 0.871 25439 13066 1 18 . 1 1 55 55 LEU CB C 55 42.695 42.695 41.812 0.883 25439 13067 1 18 . 1 1 55 55 LEU H H 55 8.298 8.298 8.093 0.205 25439 13068 1 18 . 1 1 56 56 HIS N N 56 118.426 118.426 118.131 0.295 25439 13069 1 18 . 1 1 56 56 HIS HA H 56 4.317 4.317 4.198 0.119 25439 13070 1 18 . 1 1 56 56 HIS CA C 56 60.732 60.732 59.921 0.811 25439 13071 1 18 . 1 1 56 56 HIS CB C 56 30.530 30.530 29.561 0.969 25439 13072 1 18 . 1 1 56 56 HIS H H 56 8.416 8.416 7.780 0.636 25439 13073 1 18 . 1 1 57 57 HIS N N 57 121.197 121.197 119.040 2.157 25439 13074 1 18 . 1 1 57 57 HIS HA H 57 4.318 4.318 4.490 -0.172 25439 13075 1 18 . 1 1 57 57 HIS CA C 57 60.739 60.739 59.035 1.704 25439 13076 1 18 . 1 1 57 57 HIS CB C 57 28.726 28.726 30.176 -1.450 25439 13077 1 18 . 1 1 57 57 HIS H H 57 8.608 8.608 8.174 0.434 25439 13078 1 18 . 1 1 58 58 GLN N N 58 118.739 118.739 118.490 0.249 25439 13079 1 18 . 1 1 58 58 GLN HA H 58 4.202 4.202 4.138 0.064 25439 13080 1 18 . 1 1 58 58 GLN CA C 58 59.507 59.507 59.496 0.011 25439 13081 1 18 . 1 1 58 58 GLN CB C 58 29.111 29.111 28.406 0.705 25439 13082 1 18 . 1 1 58 58 GLN H H 58 9.206 9.206 8.494 0.712 25439 13083 1 18 . 1 1 59 59 ARG N N 59 122.498 122.498 119.570 2.928 25439 13084 1 18 . 1 1 59 59 ARG HA H 59 3.437 3.437 3.861 -0.424 25439 13085 1 18 . 1 1 59 59 ARG CA C 59 60.361 60.361 58.672 1.688 25439 13086 1 18 . 1 1 59 59 ARG H H 59 8.623 8.623 8.096 0.527 25439 13087 1 18 . 1 1 60 60 SER N N 60 114.930 114.930 115.348 -0.418 25439 13088 1 18 . 1 1 60 60 SER HA H 60 4.515 4.515 4.245 0.270 25439 13089 1 18 . 1 1 60 60 SER CA C 60 64.832 64.832 61.733 3.099 25439 13090 1 18 . 1 1 60 60 SER CB C 60 63.583 63.583 62.966 0.617 25439 13091 1 18 . 1 1 60 60 SER H H 60 7.993 7.993 8.478 -0.485 25439 13092 1 18 . 1 1 61 61 ARG N N 61 124.417 124.417 122.542 1.875 25439 13093 1 18 . 1 1 61 61 ARG HA H 61 4.204 4.204 4.047 0.157 25439 13094 1 18 . 1 1 61 61 ARG CA C 61 58.852 58.852 59.627 -0.775 25439 13095 1 18 . 1 1 61 61 ARG CB C 61 29.077 29.077 30.259 -1.181 25439 13096 1 18 . 1 1 61 61 ARG H H 61 9.569 9.569 8.317 1.252 25439 13097 1 18 . 1 1 62 62 TYR N N 62 124.484 124.484 121.279 3.205 25439 13098 1 18 . 1 1 62 62 TYR HA H 62 4.676 4.676 4.299 0.377 25439 13099 1 18 . 1 1 62 62 TYR CA C 62 61.006 61.006 62.034 -1.028 25439 13100 1 18 . 1 1 62 62 TYR CB C 62 38.392 38.392 38.777 -0.385 25439 13101 1 18 . 1 1 62 62 TYR H H 62 8.622 8.622 8.399 0.223 25439 13102 1 18 . 1 1 63 63 ILE N N 63 119.789 119.789 119.071 0.718 25439 13103 1 18 . 1 1 63 63 ILE HA H 63 3.492 3.492 3.747 -0.255 25439 13104 1 18 . 1 1 63 63 ILE CA C 63 65.693 65.693 65.632 0.061 25439 13105 1 18 . 1 1 63 63 ILE CB C 63 38.023 38.023 38.226 -0.203 25439 13106 1 18 . 1 1 63 63 ILE H H 63 7.588 7.588 8.745 -1.157 25439 13107 1 18 . 1 1 64 64 TYR N N 64 120.485 120.485 121.563 -1.078 25439 13108 1 18 . 1 1 64 64 TYR HA H 64 4.577 4.577 4.265 0.312 25439 13109 1 18 . 1 1 64 64 TYR CA C 64 61.759 61.759 62.838 -1.079 25439 13110 1 18 . 1 1 64 64 TYR CB C 64 39.772 39.772 38.528 1.244 25439 13111 1 18 . 1 1 64 64 TYR H H 64 9.166 9.166 9.167 -0.001 25439 13112 1 18 . 1 1 65 65 THR N N 65 117.072 117.072 117.381 -0.309 25439 13113 1 18 . 1 1 65 65 THR HA H 65 3.562 3.562 4.057 -0.495 25439 13114 1 18 . 1 1 65 65 THR CA C 65 67.016 67.016 67.936 -0.920 25439 13115 1 18 . 1 1 65 65 THR CB C 65 68.711 68.711 68.545 0.166 25439 13116 1 18 . 1 1 65 65 THR H H 65 8.987 8.987 8.889 0.098 25439 13117 1 18 . 1 1 66 66 LEU N N 66 122.107 122.107 120.430 1.677 25439 13118 1 18 . 1 1 66 66 LEU HA H 66 3.782 3.782 4.316 -0.534 25439 13119 1 18 . 1 1 66 66 LEU CA C 66 58.476 58.476 58.121 0.355 25439 13120 1 18 . 1 1 66 66 LEU CB C 66 43.183 43.183 41.015 2.168 25439 13121 1 18 . 1 1 66 66 LEU H H 66 8.286 8.286 7.645 0.641 25439 13122 1 18 . 1 1 67 67 TYR N N 67 115.264 115.264 119.443 -4.179 25439 13123 1 18 . 1 1 67 67 TYR HA H 67 4.344 4.344 4.058 0.286 25439 13124 1 18 . 1 1 67 67 TYR CA C 67 60.830 60.830 61.476 -0.646 25439 13125 1 18 . 1 1 67 67 TYR CB C 67 40.376 40.376 39.421 0.955 25439 13126 1 18 . 1 1 67 67 TYR H H 67 7.983 7.983 8.210 -0.227 25439 13127 1 18 . 1 1 68 68 TYR N N 68 113.945 113.945 116.735 -2.790 25439 13128 1 18 . 1 1 68 68 TYR HA H 68 3.699 3.699 4.227 -0.528 25439 13129 1 18 . 1 1 68 68 TYR CA C 68 62.030 62.030 60.342 1.688 25439 13130 1 18 . 1 1 68 68 TYR CB C 68 38.046 38.046 38.776 -0.730 25439 13131 1 18 . 1 1 68 68 TYR H H 68 8.297 8.297 8.240 0.057 25439 13132 1 18 . 1 1 69 69 LYS N N 69 114.346 114.346 118.653 -4.307 25439 13133 1 18 . 1 1 69 69 LYS HA H 69 4.564 4.564 4.560 0.004 25439 13134 1 18 . 1 1 69 69 LYS CA C 69 56.821 56.821 56.900 -0.079 25439 13135 1 18 . 1 1 69 69 LYS CB C 69 31.980 31.980 33.623 -1.643 25439 13136 1 18 . 1 1 69 69 LYS H H 69 7.084 7.084 7.533 -0.449 25439 13137 1 18 . 1 1 70 70 ARG N N 70 114.676 114.676 118.960 -4.284 25439 13138 1 18 . 1 1 70 70 ARG HA H 70 4.251 4.251 4.127 0.124 25439 13139 1 18 . 1 1 70 70 ARG CA C 70 56.314 56.314 56.975 -0.661 25439 13140 1 18 . 1 1 70 70 ARG CB C 70 31.128 31.128 30.632 0.496 25439 13141 1 18 . 1 1 70 70 ARG H H 70 8.178 8.178 8.074 0.104 25439 13142 1 18 . 1 1 71 71 LYS N N 71 115.371 115.371 115.896 -0.525 25439 13143 1 18 . 1 1 71 71 LYS HA H 71 4.036 4.036 3.773 0.263 25439 13144 1 18 . 1 1 71 71 LYS CA C 71 57.121 57.121 57.307 -0.186 25439 13145 1 18 . 1 1 71 71 LYS CB C 71 28.897 28.897 30.218 -1.321 25439 13146 1 18 . 1 1 71 71 LYS H H 71 6.843 6.843 7.815 -0.972 25439 13147 1 18 . 1 1 72 72 ALA N N 72 117.701 117.701 121.075 -3.374 25439 13148 1 18 . 1 1 72 72 ALA HA H 72 4.395 4.395 4.452 -0.057 25439 13149 1 18 . 1 1 72 72 ALA CA C 72 52.597 52.597 52.056 0.541 25439 13150 1 18 . 1 1 72 72 ALA CB C 72 21.560 21.560 19.823 1.737 25439 13151 1 18 . 1 1 72 72 ALA H H 72 8.560 8.560 7.637 0.923 25439 13152 1 18 . 1 1 73 73 ILE N N 73 107.605 107.605 117.102 -9.497 25439 13153 1 18 . 1 1 73 73 ILE CB C 73 42.724 42.724 41.474 1.250 25439 13154 1 18 . 1 1 73 73 ILE H H 73 7.074 7.074 7.392 -0.318 25439 13155 1 18 . 1 1 74 74 SER N N 74 118.425 118.425 118.224 0.201 25439 13156 1 18 . 1 1 74 74 SER HA H 74 4.484 4.484 4.880 -0.396 25439 13157 1 18 . 1 1 74 74 SER CA C 74 57.082 57.082 56.680 0.402 25439 13158 1 18 . 1 1 74 74 SER CB C 74 65.396 65.396 64.910 0.486 25439 13159 1 18 . 1 1 74 74 SER H H 74 8.797 8.797 8.504 0.293 25439 13160 1 18 . 1 1 75 75 LYS N N 75 121.891 121.891 125.566 -3.675 25439 13161 1 18 . 1 1 75 75 LYS HA H 75 3.851 3.851 4.188 -0.337 25439 13162 1 18 . 1 1 75 75 LYS CA C 75 59.624 59.624 59.964 -0.340 25439 13163 1 18 . 1 1 75 75 LYS CB C 75 32.368 32.368 32.483 -0.115 25439 13164 1 18 . 1 1 75 75 LYS H H 75 9.024 9.024 9.127 -0.103 25439 13165 1 18 . 1 1 76 76 ASP N N 76 115.908 115.908 118.200 -2.292 25439 13166 1 18 . 1 1 76 76 ASP HA H 76 4.423 4.423 4.401 0.022 25439 13167 1 18 . 1 1 76 76 ASP CA C 76 57.362 57.362 57.898 -0.536 25439 13168 1 18 . 1 1 76 76 ASP CB C 76 40.391 40.391 40.197 0.195 25439 13169 1 18 . 1 1 76 76 ASP H H 76 8.161 8.161 8.510 -0.349 25439 13170 1 18 . 1 1 77 77 LEU N N 77 121.705 121.705 121.155 0.550 25439 13171 1 18 . 1 1 77 77 LEU HA H 77 4.180 4.180 4.135 0.045 25439 13172 1 18 . 1 1 77 77 LEU CA C 77 57.818 57.818 57.832 -0.014 25439 13173 1 18 . 1 1 77 77 LEU H H 77 8.345 8.345 7.709 0.636 25439 13174 1 18 . 1 1 78 78 TYR N N 78 121.511 121.511 119.940 1.571 25439 13175 1 18 . 1 1 78 78 TYR HA H 78 3.789 3.789 3.992 -0.203 25439 13176 1 18 . 1 1 78 78 TYR CA C 78 62.857 62.857 60.541 2.316 25439 13177 1 18 . 1 1 78 78 TYR CB C 78 38.369 38.369 37.735 0.634 25439 13178 1 18 . 1 1 78 78 TYR H H 78 8.598 8.598 8.697 -0.099 25439 13179 1 18 . 1 1 79 79 ASP N N 79 117.189 117.189 119.759 -2.570 25439 13180 1 18 . 1 1 79 79 ASP HA H 79 4.066 4.066 4.049 0.017 25439 13181 1 18 . 1 1 79 79 ASP CA C 79 57.219 57.219 56.974 0.245 25439 13182 1 18 . 1 1 79 79 ASP CB C 79 40.003 40.003 40.593 -0.590 25439 13183 1 18 . 1 1 79 79 ASP H H 79 9.106 9.106 8.569 0.537 25439 13184 1 18 . 1 1 80 80 TRP N N 80 123.400 123.400 121.904 1.496 25439 13185 1 18 . 1 1 80 80 TRP HA H 80 4.160 4.160 4.124 0.036 25439 13186 1 18 . 1 1 80 80 TRP CA C 80 62.368 62.368 61.944 0.424 25439 13187 1 18 . 1 1 80 80 TRP CB C 80 29.969 29.969 29.417 0.552 25439 13188 1 18 . 1 1 80 80 TRP H H 80 7.931 7.931 8.360 -0.429 25439 13189 1 18 . 1 1 81 81 LEU N N 81 119.674 119.674 118.837 0.837 25439 13190 1 18 . 1 1 81 81 LEU HA H 81 3.971 3.971 2.660 1.311 25439 13191 1 18 . 1 1 81 81 LEU CA C 81 58.294 58.294 57.639 0.655 25439 13192 1 18 . 1 1 81 81 LEU CB C 81 41.818 41.818 41.568 0.250 25439 13193 1 18 . 1 1 81 81 LEU H H 81 8.814 8.814 8.194 0.620 25439 13194 1 18 . 1 1 82 82 ILE N N 82 118.746 118.746 119.039 -0.293 25439 13195 1 18 . 1 1 82 82 ILE HA H 82 3.861 3.861 3.889 -0.028 25439 13196 1 18 . 1 1 82 82 ILE CA C 82 62.734 62.734 64.078 -1.344 25439 13197 1 18 . 1 1 82 82 ILE CB C 82 36.236 36.236 37.984 -1.748 25439 13198 1 18 . 1 1 82 82 ILE H H 82 7.886 7.886 7.579 0.307 25439 13199 1 18 . 1 1 83 83 LYS N N 83 124.819 124.819 118.314 6.505 25439 13200 1 18 . 1 1 83 83 LYS HA H 83 3.911 3.911 4.117 -0.206 25439 13201 1 18 . 1 1 83 83 LYS CA C 83 59.643 59.643 57.595 2.048 25439 13202 1 18 . 1 1 83 83 LYS CB C 83 32.027 32.027 32.881 -0.854 25439 13203 1 18 . 1 1 83 83 LYS H H 83 8.224 8.224 7.726 0.498 25439 13204 1 18 . 1 1 84 84 GLU N N 84 115.404 115.404 118.435 -3.031 25439 13205 1 18 . 1 1 84 84 GLU HA H 84 3.841 3.841 4.237 -0.396 25439 13206 1 18 . 1 1 84 84 GLU CA C 84 55.582 55.582 55.135 0.447 25439 13207 1 18 . 1 1 84 84 GLU CB C 84 29.459 29.459 28.328 1.131 25439 13208 1 18 . 1 1 84 84 GLU H H 84 8.138 8.138 7.192 0.946 25439 13209 1 18 . 1 1 85 85 LYS N N 85 111.563 111.563 118.112 -6.549 25439 13210 1 18 . 1 1 85 85 LYS HA H 85 3.820 3.820 3.942 -0.122 25439 13211 1 18 . 1 1 85 85 LYS CA C 85 57.890 57.890 57.228 0.662 25439 13212 1 18 . 1 1 85 85 LYS CB C 85 28.005 28.005 30.517 -2.512 25439 13213 1 18 . 1 1 85 85 LYS H H 85 7.719 7.719 8.027 -0.308 25439 13214 1 18 . 1 1 86 86 TYR N N 86 116.916 116.916 118.244 -1.328 25439 13215 1 18 . 1 1 86 86 TYR HA H 86 4.137 4.137 4.411 -0.274 25439 13216 1 18 . 1 1 86 86 TYR CA C 86 61.228 61.228 58.801 2.427 25439 13217 1 18 . 1 1 86 86 TYR CB C 86 39.535 39.535 40.655 -1.120 25439 13218 1 18 . 1 1 86 86 TYR H H 86 8.521 8.521 8.021 0.500 25439 13219 1 18 . 1 1 87 87 ALA N N 87 113.715 113.715 118.781 -5.066 25439 13220 1 18 . 1 1 87 87 ALA HA H 87 4.738 4.738 4.166 0.572 25439 13221 1 18 . 1 1 87 87 ALA CA C 87 49.121 49.121 50.558 -1.437 25439 13222 1 18 . 1 1 87 87 ALA CB C 87 23.295 23.295 22.196 1.099 25439 13223 1 18 . 1 1 87 87 ALA H H 87 6.959 6.959 7.593 -0.634 25439 13224 1 18 . 1 1 88 88 ASP N N 88 119.344 119.344 120.063 -0.719 25439 13225 1 18 . 1 1 88 88 ASP HA H 88 4.544 4.544 4.979 -0.435 25439 13226 1 18 . 1 1 88 88 ASP CA C 88 52.714 52.714 52.901 -0.187 25439 13227 1 18 . 1 1 88 88 ASP CB C 88 41.845 41.845 43.063 -1.218 25439 13228 1 18 . 1 1 88 88 ASP H H 88 7.870 7.870 8.531 -0.661 25439 13229 1 18 . 1 1 89 89 LYS N N 89 125.312 125.312 126.459 -1.147 25439 13230 1 18 . 1 1 89 89 LYS HA H 89 3.834 3.834 4.089 -0.255 25439 13231 1 18 . 1 1 89 89 LYS CA C 89 59.409 59.409 59.877 -0.468 25439 13232 1 18 . 1 1 89 89 LYS CB C 89 32.848 32.848 32.546 0.302 25439 13233 1 18 . 1 1 89 89 LYS H H 89 8.467 8.467 8.791 -0.324 25439 13234 1 18 . 1 1 90 90 LEU N N 90 119.899 119.899 120.227 -0.328 25439 13235 1 18 . 1 1 90 90 LEU HA H 90 4.023 4.023 4.031 -0.008 25439 13236 1 18 . 1 1 90 90 LEU CA C 90 57.049 57.049 58.022 -0.973 25439 13237 1 18 . 1 1 90 90 LEU CB C 90 41.099 41.099 41.699 -0.600 25439 13238 1 18 . 1 1 90 90 LEU H H 90 8.076 8.076 8.033 0.043 25439 13239 1 18 . 1 1 91 91 LEU N N 91 123.148 123.148 120.272 2.876 25439 13240 1 18 . 1 1 91 91 LEU HA H 91 3.498 3.498 3.772 -0.274 25439 13241 1 18 . 1 1 91 91 LEU CA C 91 56.971 56.971 57.742 -0.771 25439 13242 1 18 . 1 1 91 91 LEU CB C 91 41.823 41.823 41.649 0.174 25439 13243 1 18 . 1 1 91 91 LEU H H 91 7.120 7.120 7.467 -0.347 25439 13244 1 18 . 1 1 92 92 ILE N N 92 116.780 116.780 118.621 -1.841 25439 13245 1 18 . 1 1 92 92 ILE HA H 92 3.265 3.265 3.872 -0.607 25439 13246 1 18 . 1 1 92 92 ILE CA C 92 65.178 65.178 65.472 -0.293 25439 13247 1 18 . 1 1 92 92 ILE CB C 92 38.209 38.209 37.891 0.318 25439 13248 1 18 . 1 1 92 92 ILE H H 92 7.384 7.384 7.777 -0.393 25439 13249 1 18 . 1 1 93 93 ALA N N 93 117.061 117.061 122.010 -4.949 25439 13250 1 18 . 1 1 93 93 ALA HA H 93 3.930 3.930 4.062 -0.132 25439 13251 1 18 . 1 1 93 93 ALA CA C 93 54.839 54.839 55.438 -0.599 25439 13252 1 18 . 1 1 93 93 ALA CB C 93 18.125 18.125 18.213 -0.088 25439 13253 1 18 . 1 1 93 93 ALA H H 93 7.437 7.437 8.569 -1.132 25439 13254 1 18 . 1 1 94 94 LYS N N 94 116.036 116.036 118.712 -2.676 25439 13255 1 18 . 1 1 94 94 LYS HA H 94 3.803 3.803 3.600 0.203 25439 13256 1 18 . 1 1 94 94 LYS CA C 94 56.945 56.945 58.535 -1.590 25439 13257 1 18 . 1 1 94 94 LYS CB C 94 31.047 31.047 31.609 -0.562 25439 13258 1 18 . 1 1 94 94 LYS H H 94 7.012 7.012 7.763 -0.751 25439 13259 1 18 . 1 1 95 95 TRP N N 95 118.700 118.700 115.780 2.920 25439 13260 1 18 . 1 1 95 95 TRP HA H 95 4.814 4.814 4.576 0.238 25439 13261 1 18 . 1 1 95 95 TRP CA C 95 57.136 57.136 58.815 -1.679 25439 13262 1 18 . 1 1 95 95 TRP CB C 95 28.171 28.171 29.041 -0.871 25439 13263 1 18 . 1 1 95 95 TRP H H 95 7.611 7.611 7.551 0.060 25439 13264 1 18 . 1 1 96 96 ARG N N 96 113.031 113.031 117.340 -4.309 25439 13265 1 18 . 1 1 96 96 ARG HA H 96 4.233 4.233 4.371 -0.138 25439 13266 1 18 . 1 1 96 96 ARG CA C 96 56.234 56.234 57.115 -0.881 25439 13267 1 18 . 1 1 96 96 ARG CB C 96 30.245 30.245 30.566 -0.321 25439 13268 1 18 . 1 1 96 96 ARG H H 96 7.066 7.066 7.617 -0.551 25439 13269 1 18 . 1 1 97 97 LYS N N 97 123.252 123.252 119.674 3.578 25439 13270 1 18 . 1 1 97 97 LYS HA H 97 4.634 4.634 4.272 0.362 25439 13271 1 18 . 1 1 97 97 LYS CA C 97 54.937 54.937 57.721 -2.784 25439 13272 1 18 . 1 1 97 97 LYS CB C 97 34.166 34.166 32.855 1.311 25439 13273 1 18 . 1 1 97 97 LYS H H 97 8.467 8.467 8.066 0.401 25439 13274 1 18 . 1 1 98 98 THR N N 98 119.993 119.993 113.030 6.963 25439 13275 1 18 . 1 1 98 98 THR HA H 98 4.224 4.224 4.423 -0.199 25439 13276 1 18 . 1 1 98 98 THR CA C 98 64.670 64.670 61.629 3.041 25439 13277 1 18 . 1 1 98 98 THR CB C 98 69.200 69.200 69.291 -0.091 25439 13278 1 18 . 1 1 98 98 THR H H 98 8.329 8.329 8.209 0.120 25439 13279 1 18 . 1 1 99 99 GLY N N 99 116.645 116.645 113.000 3.645 25439 13280 1 18 . 1 1 99 99 GLY CA C 99 45.047 45.047 45.220 -0.173 25439 13281 1 18 . 1 1 99 99 GLY H H 99 9.273 9.273 9.009 0.264 25439 13282 1 18 . 1 1 100 100 TYR N N 100 120.784 120.784 120.729 0.055 25439 13283 1 18 . 1 1 100 100 TYR HA H 100 4.704 4.704 4.748 -0.044 25439 13284 1 18 . 1 1 100 100 TYR CA C 100 57.697 57.697 56.097 1.600 25439 13285 1 18 . 1 1 100 100 TYR CB C 100 39.413 39.413 36.766 2.647 25439 13286 1 18 . 1 1 100 100 TYR H H 100 8.457 8.457 8.084 0.373 25439 13287 1 18 . 1 1 101 101 GLU N N 101 119.482 119.482 121.143 -1.661 25439 13288 1 18 . 1 1 101 101 GLU HA H 101 4.601 4.601 4.558 0.043 25439 13289 1 18 . 1 1 101 101 GLU CA C 101 61.207 61.207 57.373 3.834 25439 13290 1 18 . 1 1 101 101 GLU CB C 101 29.648 29.648 30.585 -0.937 25439 13291 1 18 . 1 1 101 101 GLU H H 101 9.836 9.836 8.502 1.334 25439 13292 1 18 . 1 1 102 102 LYS N N 102 115.179 115.179 120.813 -5.634 25439 13293 1 18 . 1 1 102 102 LYS HA H 102 4.295 4.295 4.662 -0.367 25439 13294 1 18 . 1 1 102 102 LYS CA C 102 54.207 54.207 55.593 -1.386 25439 13295 1 18 . 1 1 102 102 LYS CB C 102 32.489 32.489 32.533 -0.044 25439 13296 1 18 . 1 1 102 102 LYS H H 102 8.291 8.291 7.872 0.419 25439 13297 1 18 . 1 1 103 103 LEU N N 103 119.637 119.637 116.970 2.667 25439 13298 1 18 . 1 1 103 103 LEU HA H 103 4.385 4.385 5.001 -0.616 25439 13299 1 18 . 1 1 103 103 LEU CA C 103 56.549 56.549 53.795 2.754 25439 13300 1 18 . 1 1 103 103 LEU CB C 103 43.864 43.864 44.490 -0.626 25439 13301 1 18 . 1 1 103 103 LEU H H 103 7.642 7.642 7.699 -0.057 25439 13302 1 18 . 1 1 104 104 CYS N N 104 129.651 129.651 116.471 13.180 25439 13303 1 18 . 1 1 104 104 CYS HA H 104 4.498 4.498 4.965 -0.467 25439 13304 1 18 . 1 1 104 104 CYS CA C 104 58.076 58.076 58.439 -0.363 25439 13305 1 18 . 1 1 104 104 CYS CB C 104 32.301 32.301 28.197 4.104 25439 13306 1 18 . 1 1 104 104 CYS H H 104 8.638 8.638 8.804 -0.166 25439 13307 1 18 . 1 1 105 105 CYS N N 105 120.206 120.206 118.340 1.866 25439 13308 1 18 . 1 1 105 105 CYS HA H 105 4.806 4.806 4.803 0.003 25439 13309 1 18 . 1 1 105 105 CYS CA C 105 58.271 58.271 57.015 1.256 25439 13310 1 18 . 1 1 105 105 CYS CB C 105 32.062 32.062 29.947 2.115 25439 13311 1 18 . 1 1 105 105 CYS H H 105 8.158 8.158 7.998 0.160 25439 13312 1 18 . 1 1 106 106 LEU N N 106 115.513 115.513 120.608 -5.095 25439 13313 1 18 . 1 1 106 106 LEU HA H 106 4.054 4.054 4.177 -0.123 25439 13314 1 18 . 1 1 106 106 LEU CA C 106 56.110 56.110 56.639 -0.529 25439 13315 1 18 . 1 1 106 106 LEU CB C 106 41.227 41.227 42.192 -0.965 25439 13316 1 18 . 1 1 106 106 LEU H H 106 8.466 8.466 8.147 0.319 25439 13317 1 18 . 1 1 107 107 ARG N N 107 122.711 122.711 118.607 4.104 25439 13318 1 18 . 1 1 107 107 ARG HA H 107 3.993 3.993 4.313 -0.320 25439 13319 1 18 . 1 1 107 107 ARG CA C 107 58.311 58.311 56.226 2.085 25439 13320 1 18 . 1 1 107 107 ARG CB C 107 28.965 28.965 28.942 0.023 25439 13321 1 18 . 1 1 107 107 ARG H H 107 8.131 8.131 8.218 -0.087 25439 13322 1 18 . 1 1 108 108 CYS N N 108 119.055 119.055 117.942 1.113 25439 13323 1 18 . 1 1 108 108 CYS HA H 108 4.101 4.101 4.735 -0.634 25439 13324 1 18 . 1 1 108 108 CYS CA C 108 63.936 63.936 57.365 6.571 25439 13325 1 18 . 1 1 108 108 CYS CB C 108 30.934 30.934 27.187 3.747 25439 13326 1 18 . 1 1 108 108 CYS H H 108 8.010 8.010 7.899 0.111 25439 13327 1 18 . 1 1 109 109 ILE N N 109 107.315 107.315 113.107 -5.792 25439 13328 1 18 . 1 1 109 109 ILE HA H 109 4.684 4.684 4.436 0.248 25439 13329 1 18 . 1 1 109 109 ILE CA C 109 60.483 60.483 61.041 -0.558 25439 13330 1 18 . 1 1 109 109 ILE CB C 109 38.320 38.320 39.013 -0.693 25439 13331 1 18 . 1 1 109 109 ILE H H 109 7.105 7.105 7.455 -0.350 25439 13332 1 18 . 1 1 110 110 GLN N N 110 122.468 122.468 120.990 1.478 25439 13333 1 18 . 1 1 110 110 GLN HA H 110 4.268 4.268 4.593 -0.325 25439 13334 1 18 . 1 1 110 110 GLN CA C 110 55.981 55.981 54.839 1.142 25439 13335 1 18 . 1 1 110 110 GLN CB C 110 29.656 29.656 30.326 -0.670 25439 13336 1 18 . 1 1 110 110 GLN H H 110 7.156 7.156 8.034 -0.878 25439 13337 1 18 . 1 1 111 111 LYS N N 111 124.650 124.650 125.868 -1.218 25439 13338 1 18 . 1 1 111 111 LYS HA H 111 4.246 4.246 4.366 -0.120 25439 13339 1 18 . 1 1 111 111 LYS CA C 111 56.546 56.546 56.215 0.331 25439 13340 1 18 . 1 1 111 111 LYS CB C 111 32.846 32.846 33.569 -0.723 25439 13341 1 18 . 1 1 111 111 LYS H H 111 8.522 8.522 8.746 -0.224 25439 13342 1 18 . 1 1 112 112 ASN N N 112 120.972 120.972 115.067 5.905 25439 13343 1 18 . 1 1 112 112 ASN HA H 112 4.778 4.778 4.435 0.343 25439 13344 1 18 . 1 1 112 112 ASN CA C 112 52.902 52.902 54.797 -1.895 25439 13345 1 18 . 1 1 112 112 ASN CB C 112 39.328 39.328 38.470 0.858 25439 13346 1 18 . 1 1 112 112 ASN H H 112 8.360 8.360 8.491 -0.131 25439 13347 1 18 . 1 1 113 113 GLU N N 113 121.710 121.710 119.102 2.608 25439 13348 1 18 . 1 1 113 113 GLU HA H 113 4.248 4.248 4.490 -0.242 25439 13349 1 18 . 1 1 113 113 GLU CA C 113 58.611 58.611 56.802 1.809 25439 13350 1 18 . 1 1 113 113 GLU CB C 113 29.590 29.590 30.204 -0.614 25439 13351 1 18 . 1 1 113 113 GLU H H 113 9.023 9.023 8.642 0.381 25439 13352 1 18 . 1 1 114 114 THR N N 114 112.186 112.186 118.020 -5.834 25439 13353 1 18 . 1 1 114 114 THR HA H 114 4.321 4.321 4.610 -0.289 25439 13354 1 18 . 1 1 114 114 THR CA C 114 63.161 63.161 61.915 1.246 25439 13355 1 18 . 1 1 114 114 THR CB C 114 69.481 69.481 70.326 -0.845 25439 13356 1 18 . 1 1 114 114 THR H H 114 8.112 8.112 8.300 -0.188 25439 13357 1 18 . 1 1 115 115 ASN N N 115 119.112 119.112 117.670 1.442 25439 13358 1 18 . 1 1 115 115 ASN HA H 115 4.829 4.829 4.745 0.084 25439 13359 1 18 . 1 1 115 115 ASN CA C 115 53.110 53.110 53.567 -0.457 25439 13360 1 18 . 1 1 115 115 ASN CB C 115 38.659 38.659 39.650 -0.991 25439 13361 1 18 . 1 1 115 115 ASN H H 115 8.047 8.047 8.161 -0.114 25439 13362 1 18 . 1 1 116 116 ASN N N 116 117.175 117.175 121.614 -4.439 25439 13363 1 18 . 1 1 116 116 ASN HA H 116 4.615 4.615 4.880 -0.265 25439 13364 1 18 . 1 1 116 116 ASN CA C 116 53.965 53.965 52.626 1.339 25439 13365 1 18 . 1 1 116 116 ASN CB C 116 38.173 38.173 38.028 0.145 25439 13366 1 18 . 1 1 116 116 ASN H H 116 8.364 8.364 8.339 0.025 25439 13367 1 18 . 1 1 117 117 GLY N N 117 107.294 107.294 108.443 -1.149 25439 13368 1 18 . 1 1 117 117 GLY CA C 117 45.882 45.882 44.618 1.264 25439 13369 1 18 . 1 1 117 117 GLY H H 117 8.264 8.264 8.155 0.109 25439 13370 1 18 . 1 1 118 118 SER N N 118 115.475 115.475 119.749 -4.274 25439 13371 1 18 . 1 1 118 118 SER HA H 118 4.586 4.586 4.696 -0.110 25439 13372 1 18 . 1 1 118 118 SER CA C 118 57.974 57.974 57.673 0.301 25439 13373 1 18 . 1 1 118 118 SER CB C 118 64.479 64.479 64.909 -0.430 25439 13374 1 18 . 1 1 118 118 SER H H 118 7.905 7.905 8.554 -0.649 25439 13375 1 18 . 1 1 119 119 THR N N 119 111.360 111.360 117.547 -6.187 25439 13376 1 18 . 1 1 119 119 THR HA H 119 4.450 4.450 4.653 -0.203 25439 13377 1 18 . 1 1 119 119 THR CA C 119 61.215 61.215 60.964 0.251 25439 13378 1 18 . 1 1 119 119 THR CB C 119 70.569 70.569 71.568 -0.999 25439 13379 1 18 . 1 1 119 119 THR H H 119 8.044 8.044 8.180 -0.136 25439 13380 1 18 . 1 1 120 120 CYS N N 120 122.708 122.708 120.644 2.064 25439 13381 1 18 . 1 1 120 120 CYS HA H 120 4.255 4.255 4.788 -0.533 25439 13382 1 18 . 1 1 120 120 CYS CA C 120 61.469 61.469 57.303 4.166 25439 13383 1 18 . 1 1 120 120 CYS CB C 120 30.892 30.892 29.671 1.221 25439 13384 1 18 . 1 1 120 120 CYS H H 120 8.045 8.045 8.521 -0.476 25439 13385 1 18 . 1 1 121 121 ILE N N 121 132.463 132.463 123.718 8.745 25439 13386 1 18 . 1 1 121 121 ILE HA H 121 4.025 4.025 3.872 0.153 25439 13387 1 18 . 1 1 121 121 ILE CA C 121 63.353 63.353 63.021 0.332 25439 13388 1 18 . 1 1 121 121 ILE CB C 121 38.222 38.222 37.724 0.498 25439 13389 1 18 . 1 1 121 121 ILE H H 121 8.237 8.237 8.474 -0.237 25439 13390 1 18 . 1 1 122 122 CYS N N 122 123.931 123.931 117.598 6.333 25439 13391 1 18 . 1 1 122 122 CYS HA H 122 4.233 4.233 3.837 0.396 25439 13392 1 18 . 1 1 122 122 CYS CA C 122 60.230 60.230 60.438 -0.207 25439 13393 1 18 . 1 1 122 122 CYS CB C 122 30.602 30.602 25.873 4.729 25439 13394 1 18 . 1 1 122 122 CYS H H 122 9.355 9.355 7.509 1.846 25439 13395 1 18 . 1 1 123 123 ARG N N 123 119.561 119.561 121.336 -1.775 25439 13396 1 18 . 1 1 123 123 ARG HA H 123 4.150 4.150 4.298 -0.148 25439 13397 1 18 . 1 1 123 123 ARG CA C 123 53.177 53.177 58.311 -5.134 25439 13398 1 18 . 1 1 123 123 ARG CB C 123 27.961 27.961 30.551 -2.590 25439 13399 1 18 . 1 1 123 123 ARG H H 123 7.677 7.677 7.853 -0.176 25439 13400 1 18 . 1 1 124 124 VAL N N 124 122.794 122.794 120.744 2.050 25439 13401 1 18 . 1 1 124 124 VAL HA H 124 4.081 4.081 4.053 0.028 25439 13402 1 18 . 1 1 124 124 VAL CA C 124 60.647 60.647 60.872 -0.225 25439 13403 1 18 . 1 1 124 124 VAL CB C 124 32.857 32.857 31.849 1.008 25439 13404 1 18 . 1 1 124 124 VAL H H 124 7.578 7.578 7.210 0.368 25439 13405 1 18 . 1 1 125 125 PRO HA H 125 4.263 4.263 4.539 -0.276 25439 13406 1 18 . 1 1 125 125 PRO CA C 125 63.268 63.268 62.348 0.920 25439 13407 1 18 . 1 1 125 125 PRO CB C 125 32.379 32.379 32.797 -0.418 25439 13408 1 18 . 1 1 126 126 ARG N N 126 128.350 128.350 119.706 8.644 25439 13409 1 18 . 1 1 126 126 ARG HA H 126 3.912 3.912 4.033 -0.121 25439 13410 1 18 . 1 1 126 126 ARG CA C 126 59.653 59.653 59.008 0.645 25439 13411 1 18 . 1 1 126 126 ARG CB C 126 29.339 29.339 29.413 -0.074 25439 13412 1 18 . 1 1 126 126 ARG H H 126 9.534 9.534 8.872 0.662 25439 13413 1 18 . 1 1 127 127 ALA N N 127 119.169 119.169 121.594 -2.425 25439 13414 1 18 . 1 1 127 127 ALA HA H 127 4.192 4.192 4.141 0.051 25439 13415 1 18 . 1 1 127 127 ALA CA C 127 55.227 55.227 54.990 0.237 25439 13416 1 18 . 1 1 127 127 ALA CB C 127 18.363 18.363 17.910 0.453 25439 13417 1 18 . 1 1 127 127 ALA H H 127 9.263 9.263 8.495 0.768 25439 13418 1 18 . 1 1 128 128 GLN N N 128 117.345 117.345 118.488 -1.143 25439 13419 1 18 . 1 1 128 128 GLN HA H 128 4.209 4.209 4.098 0.111 25439 13420 1 18 . 1 1 128 128 GLN CA C 128 58.506 58.506 58.502 0.004 25439 13421 1 18 . 1 1 128 128 GLN CB C 128 28.220 28.220 28.149 0.071 25439 13422 1 18 . 1 1 128 128 GLN H H 128 7.448 7.448 8.459 -1.011 25439 13423 1 18 . 1 1 129 129 LEU N N 129 120.561 120.561 120.482 0.079 25439 13424 1 18 . 1 1 129 129 LEU HA H 129 4.088 4.088 4.213 -0.125 25439 13425 1 18 . 1 1 129 129 LEU CA C 129 57.952 57.952 57.742 0.210 25439 13426 1 18 . 1 1 129 129 LEU CB C 129 41.817 41.817 41.867 -0.050 25439 13427 1 18 . 1 1 129 129 LEU H H 129 7.622 7.622 7.654 -0.032 25439 13428 1 18 . 1 1 130 130 GLU N N 130 119.122 119.122 118.709 0.413 25439 13429 1 18 . 1 1 130 130 GLU HA H 130 3.956 3.956 3.897 0.059 25439 13430 1 18 . 1 1 130 130 GLU CA C 130 59.353 59.353 59.869 -0.516 25439 13431 1 18 . 1 1 130 130 GLU CB C 130 29.337 29.337 29.333 0.004 25439 13432 1 18 . 1 1 130 130 GLU H H 130 8.656 8.656 8.529 0.127 25439 13433 1 18 . 1 1 131 131 GLU N N 131 121.469 121.469 119.075 2.394 25439 13434 1 18 . 1 1 131 131 GLU HA H 131 4.163 4.163 3.989 0.174 25439 13435 1 18 . 1 1 131 131 GLU CA C 131 59.288 59.288 59.703 -0.415 25439 13436 1 18 . 1 1 131 131 GLU CB C 131 29.422 29.422 29.525 -0.103 25439 13437 1 18 . 1 1 131 131 GLU H H 131 7.922 7.922 7.793 0.129 25439 13438 1 18 . 1 1 132 132 GLU N N 132 119.241 119.241 118.834 0.407 25439 13439 1 18 . 1 1 132 132 GLU HA H 132 3.998 3.998 4.024 -0.026 25439 13440 1 18 . 1 1 132 132 GLU CA C 132 59.327 59.327 59.403 -0.076 25439 13441 1 18 . 1 1 132 132 GLU CB C 132 29.421 29.421 29.140 0.281 25439 13442 1 18 . 1 1 132 132 GLU H H 132 8.099 8.099 7.673 0.426 25439 13443 1 18 . 1 1 133 133 ALA N N 133 121.302 121.302 121.566 -0.264 25439 13444 1 18 . 1 1 133 133 ALA HA H 133 4.053 4.053 4.034 0.019 25439 13445 1 18 . 1 1 133 133 ALA CA C 133 54.973 54.973 54.967 0.006 25439 13446 1 18 . 1 1 133 133 ALA CB C 133 18.154 18.154 18.259 -0.105 25439 13447 1 18 . 1 1 133 133 ALA H H 133 7.795 7.795 7.424 0.371 25439 13448 1 18 . 1 1 134 134 ARG N N 134 118.757 118.757 117.987 0.770 25439 13449 1 18 . 1 1 134 134 ARG HA H 134 4.143 4.143 4.029 0.114 25439 13450 1 18 . 1 1 134 134 ARG CA C 134 59.438 59.438 58.752 0.686 25439 13451 1 18 . 1 1 134 134 ARG CB C 134 30.148 30.148 29.721 0.427 25439 13452 1 18 . 1 1 134 134 ARG H H 134 8.145 8.145 7.815 0.330 25439 13453 1 18 . 1 1 135 135 LYS N N 135 119.496 119.496 120.384 -0.888 25439 13454 1 18 . 1 1 135 135 LYS HA H 135 4.073 4.073 4.130 -0.057 25439 13455 1 18 . 1 1 135 135 LYS CA C 135 59.327 59.327 58.871 0.456 25439 13456 1 18 . 1 1 135 135 LYS CB C 135 32.539 32.539 32.476 0.063 25439 13457 1 18 . 1 1 135 135 LYS H H 135 8.036 8.036 7.788 0.248 25439 13458 1 18 . 1 1 136 136 LYS N N 136 116.645 116.645 116.879 -0.234 25439 13459 1 18 . 1 1 136 136 LYS HA H 136 4.362 4.362 4.454 -0.092 25439 13460 1 18 . 1 1 136 136 LYS CA C 136 56.575 56.575 55.165 1.410 25439 13461 1 18 . 1 1 136 136 LYS CB C 136 33.629 33.629 32.743 0.886 25439 13462 1 18 . 1 1 136 136 LYS H H 136 7.682 7.682 7.416 0.266 25439 13463 1 18 . 1 1 137 137 GLY N N 137 109.349 109.349 109.509 -0.160 25439 13464 1 18 . 1 1 137 137 GLY CA C 137 46.358 46.358 46.317 0.041 25439 13465 1 18 . 1 1 137 137 GLY H H 137 8.064 8.064 7.747 0.317 25439 13466 1 18 . 1 1 138 138 THR N N 138 112.870 112.870 113.594 -0.724 25439 13467 1 18 . 1 1 138 138 THR HA H 138 4.735 4.735 4.686 0.049 25439 13468 1 18 . 1 1 138 138 THR CA C 138 59.308 59.308 60.431 -1.123 25439 13469 1 18 . 1 1 138 138 THR CB C 138 70.755 70.755 70.824 -0.069 25439 13470 1 18 . 1 1 138 138 THR H H 138 8.111 8.111 8.132 -0.021 25439 13471 1 18 . 1 1 139 139 GLN N N 139 118.177 118.177 119.220 -1.043 25439 13472 1 18 . 1 1 139 139 GLN HA H 139 4.609 4.609 4.693 -0.084 25439 13473 1 18 . 1 1 139 139 GLN CA C 139 54.435 54.435 55.193 -0.758 25439 13474 1 18 . 1 1 139 139 GLN CB C 139 30.777 30.777 30.795 -0.018 25439 13475 1 18 . 1 1 139 139 GLN H H 139 8.227 8.227 8.247 -0.020 25439 13476 1 18 . 1 1 140 140 VAL N N 140 123.601 123.601 118.797 4.804 25439 13477 1 18 . 1 1 140 140 VAL HA H 140 3.790 3.790 4.419 -0.629 25439 13478 1 18 . 1 1 140 140 VAL CA C 140 63.934 63.934 61.573 2.361 25439 13479 1 18 . 1 1 140 140 VAL CB C 140 32.154 32.154 34.875 -2.721 25439 13480 1 18 . 1 1 140 140 VAL H H 140 8.839 8.839 8.278 0.561 25439 13481 1 18 . 1 1 141 141 SER HA H 141 4.524 4.524 4.739 -0.215 25439 13482 1 18 . 1 1 141 141 SER CA C 141 57.841 57.841 58.159 -0.318 25439 13483 1 18 . 1 1 141 141 SER CB C 141 64.174 64.174 63.866 0.308 25439 13484 1 18 . 1 1 142 142 PHE N N 142 123.726 123.726 126.939 -3.213 25439 13485 1 18 . 1 1 142 142 PHE HA H 142 4.458 4.458 4.912 -0.454 25439 13486 1 18 . 1 1 142 142 PHE CA C 142 58.673 58.673 57.832 0.841 25439 13487 1 18 . 1 1 142 142 PHE CB C 142 40.055 40.055 41.224 -1.169 25439 13488 1 18 . 1 1 142 142 PHE H H 142 7.534 7.534 8.422 -0.888 25439 13489 1 18 . 1 1 143 143 HIS N N 143 126.548 126.548 118.337 8.211 25439 13490 1 18 . 1 1 143 143 HIS HA H 143 4.336 4.336 4.448 -0.112 25439 13491 1 18 . 1 1 143 143 HIS CA C 143 56.837 56.837 55.492 1.345 25439 13492 1 18 . 1 1 143 143 HIS CB C 143 31.949 31.949 31.927 0.022 25439 13493 1 18 . 1 1 143 143 HIS H H 143 8.308 8.308 7.228 1.080 25439 13494 1 18 . 1 1 144 144 GLN N N 144 115.094 115.094 115.812 -0.718 25439 13495 1 18 . 1 1 144 144 GLN HA H 144 4.433 4.433 4.530 -0.097 25439 13496 1 18 . 1 1 144 144 GLN CA C 144 54.210 54.210 53.364 0.846 25439 13497 1 18 . 1 1 144 144 GLN CB C 144 32.925 32.925 31.960 0.965 25439 13498 1 18 . 1 1 144 144 GLN H H 144 7.203 7.203 6.960 0.243 25439 13499 1 18 . 1 1 145 145 CYS N N 145 123.088 123.088 119.340 3.748 25439 13500 1 18 . 1 1 145 145 CYS HA H 145 4.961 4.961 4.990 -0.029 25439 13501 1 18 . 1 1 145 145 CYS CA C 145 57.978 57.978 56.996 0.982 25439 13502 1 18 . 1 1 145 145 CYS CB C 145 33.555 33.555 29.897 3.658 25439 13503 1 18 . 1 1 145 145 CYS H H 145 8.668 8.668 8.616 0.052 25439 13504 1 18 . 1 1 146 146 VAL N N 146 113.265 113.265 118.618 -5.353 25439 13505 1 18 . 1 1 146 146 VAL HA H 146 4.238 4.238 4.214 0.024 25439 13506 1 18 . 1 1 146 146 VAL CA C 146 64.001 64.001 64.917 -0.916 25439 13507 1 18 . 1 1 146 146 VAL CB C 146 32.157 32.157 31.639 0.518 25439 13508 1 18 . 1 1 146 146 VAL H H 146 8.198 8.198 8.397 -0.199 25439 13509 1 18 . 1 1 147 147 HIS N N 147 120.556 120.556 120.056 0.500 25439 13510 1 18 . 1 1 147 147 HIS HA H 147 4.604 4.604 4.339 0.265 25439 13511 1 18 . 1 1 147 147 HIS CA C 147 58.708 58.708 58.537 0.171 25439 13512 1 18 . 1 1 147 147 HIS CB C 147 32.204 32.204 29.240 2.964 25439 13513 1 18 . 1 1 147 147 HIS H H 147 7.151 7.151 8.319 -1.168 25439 13514 1 18 . 1 1 148 148 CYS N N 148 112.110 112.110 112.181 -0.071 25439 13515 1 18 . 1 1 148 148 CYS HA H 148 4.889 4.889 4.855 0.034 25439 13516 1 18 . 1 1 148 148 CYS CA C 148 57.952 57.952 55.505 2.447 25439 13517 1 18 . 1 1 148 148 CYS CB C 148 32.956 32.956 30.218 2.737 25439 13518 1 18 . 1 1 148 148 CYS H H 148 7.413 7.413 7.287 0.126 25439 13519 1 18 . 1 1 149 149 GLY N N 149 112.797 112.797 108.207 4.590 25439 13520 1 18 . 1 1 149 149 GLY CA C 149 45.327 45.327 44.357 0.970 25439 13521 1 18 . 1 1 149 149 GLY H H 149 6.949 6.949 8.315 -1.366 25439 13522 1 18 . 1 1 150 150 CYS N N 150 127.277 127.277 120.799 6.478 25439 13523 1 18 . 1 1 150 150 CYS HA H 150 3.932 3.932 4.528 -0.596 25439 13524 1 18 . 1 1 150 150 CYS CA C 150 61.362 61.362 57.181 4.181 25439 13525 1 18 . 1 1 150 150 CYS CB C 150 30.632 30.632 29.965 0.667 25439 13526 1 18 . 1 1 150 150 CYS H H 150 8.240 8.240 7.118 1.122 25439 13527 1 18 . 1 1 151 151 ARG N N 151 125.476 125.476 127.749 -2.273 25439 13528 1 18 . 1 1 151 151 ARG HA H 151 4.775 4.775 4.237 0.538 25439 13529 1 18 . 1 1 151 151 ARG CA C 151 56.164 56.164 55.219 0.945 25439 13530 1 18 . 1 1 151 151 ARG CB C 151 30.354 30.354 29.219 1.135 25439 13531 1 18 . 1 1 151 151 ARG H H 151 8.492 8.492 8.584 -0.092 25439 13532 1 18 . 1 1 152 152 GLY N N 152 117.275 117.275 108.353 8.922 25439 13533 1 18 . 1 1 152 152 GLY CA C 152 45.523 45.523 45.404 0.119 25439 13534 1 18 . 1 1 152 152 GLY H H 152 9.812 9.812 7.638 2.174 25439 13535 1 18 . 1 1 153 153 CYS N N 153 126.187 126.187 118.722 7.465 25439 13536 1 18 . 1 1 153 153 CYS HA H 153 4.842 4.842 4.804 0.038 25439 13537 1 18 . 1 1 153 153 CYS CA C 153 57.130 57.130 55.790 1.340 25439 13538 1 18 . 1 1 153 153 CYS CB C 153 31.368 31.368 27.928 3.440 25439 13539 1 18 . 1 1 153 153 CYS H H 153 8.930 8.930 8.171 0.759 25439 13540 1 18 . 1 1 154 154 ALA N N 154 125.869 125.869 126.391 -0.522 25439 13541 1 18 . 1 1 154 154 ALA HA H 154 4.159 4.159 4.901 -0.742 25439 13542 1 18 . 1 1 154 154 ALA CA C 154 53.187 53.187 51.565 1.622 25439 13543 1 18 . 1 1 154 154 ALA CB C 154 18.937 18.937 21.252 -2.315 25439 13544 1 18 . 1 1 154 154 ALA H H 154 8.616 8.616 8.342 0.274 25439 13545 1 18 . 1 1 155 155 SER N N 155 116.724 116.724 117.951 -1.227 25439 13546 1 18 . 1 1 155 155 SER HA H 155 4.283 4.283 4.346 -0.063 25439 13547 1 18 . 1 1 155 155 SER CA C 155 60.136 60.136 60.105 0.031 25439 13548 1 18 . 1 1 155 155 SER CB C 155 63.575 63.575 63.718 -0.143 25439 13549 1 18 . 1 1 155 155 SER H H 155 9.358 9.358 8.799 0.559 25439 13550 1 18 . 1 1 156 156 THR N N 156 111.893 111.893 115.604 -3.711 25439 13551 1 18 . 1 1 156 156 THR HA H 156 4.358 4.358 4.098 0.260 25439 13552 1 18 . 1 1 156 156 THR CA C 156 61.264 61.264 64.264 -3.000 25439 13553 1 18 . 1 1 156 156 THR CB C 156 69.999 69.999 69.050 0.949 25439 13554 1 18 . 1 1 156 156 THR H H 156 7.638 7.638 8.236 -0.598 25439 13555 1 19 . 1 1 0 0 GLY CA C 0 43.750 43.750 45.021 -1.271 25439 13556 1 19 . 1 1 1 1 SER N N 1 117.201 117.201 115.841 1.360 25439 13557 1 19 . 1 1 1 1 SER HA H 1 4.809 4.809 5.022 -0.213 25439 13558 1 19 . 1 1 1 1 SER CA C 1 56.525 56.525 56.711 -0.185 25439 13559 1 19 . 1 1 1 1 SER CB C 1 63.385 63.385 65.016 -1.631 25439 13560 1 19 . 1 1 1 1 SER H H 1 8.381 8.381 8.564 -0.183 25439 13561 1 19 . 1 1 2 2 PRO HA H 2 4.468 4.468 4.563 -0.095 25439 13562 1 19 . 1 1 2 2 PRO CA C 2 63.292 63.292 62.874 0.418 25439 13563 1 19 . 1 1 2 2 PRO CB C 2 32.174 32.174 32.194 -0.020 25439 13564 1 19 . 1 1 3 3 ARG N N 3 121.649 121.649 117.996 3.653 25439 13565 1 19 . 1 1 3 3 ARG HA H 3 4.324 4.324 4.044 0.280 25439 13566 1 19 . 1 1 3 3 ARG CA C 3 56.226 56.226 56.569 -0.343 25439 13567 1 19 . 1 1 3 3 ARG CB C 3 30.732 30.732 29.844 0.888 25439 13568 1 19 . 1 1 3 3 ARG H H 3 8.428 8.428 8.323 0.105 25439 13569 1 19 . 1 1 4 4 ILE N N 4 122.500 122.500 120.324 2.176 25439 13570 1 19 . 1 1 4 4 ILE HA H 4 4.181 4.181 4.392 -0.211 25439 13571 1 19 . 1 1 4 4 ILE CA C 4 60.943 60.943 60.891 0.052 25439 13572 1 19 . 1 1 4 4 ILE CB C 4 38.751 38.751 39.963 -1.212 25439 13573 1 19 . 1 1 4 4 ILE H H 4 8.165 8.165 8.285 -0.120 25439 13574 1 19 . 1 1 5 5 LYS N N 5 126.237 126.237 126.204 0.033 25439 13575 1 19 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.738 -0.336 25439 13576 1 19 . 1 1 5 5 LYS CA C 5 56.422 56.422 55.468 0.954 25439 13577 1 19 . 1 1 5 5 LYS CB C 5 33.130 33.130 34.377 -1.247 25439 13578 1 19 . 1 1 5 5 LYS H H 5 8.500 8.500 8.338 0.162 25439 13579 1 19 . 1 1 6 6 THR N N 6 116.495 116.495 115.102 1.393 25439 13580 1 19 . 1 1 6 6 THR HA H 6 4.323 4.323 4.563 -0.240 25439 13581 1 19 . 1 1 6 6 THR CA C 6 61.918 61.918 61.747 0.171 25439 13582 1 19 . 1 1 6 6 THR CB C 6 69.963 69.963 68.679 1.284 25439 13583 1 19 . 1 1 6 6 THR H H 6 8.194 8.194 8.360 -0.166 25439 13584 1 19 . 1 1 7 7 ARG N N 7 124.128 124.128 123.091 1.037 25439 13585 1 19 . 1 1 7 7 ARG HA H 7 4.396 4.396 4.503 -0.107 25439 13586 1 19 . 1 1 7 7 ARG CA C 7 56.128 56.128 55.810 0.318 25439 13587 1 19 . 1 1 7 7 ARG CB C 7 30.953 30.953 32.416 -1.464 25439 13588 1 19 . 1 1 7 7 ARG H H 7 8.458 8.458 8.307 0.151 25439 13589 1 19 . 1 1 8 8 ARG N N 8 123.384 123.384 122.444 0.940 25439 13590 1 19 . 1 1 8 8 ARG HA H 8 4.424 4.424 4.633 -0.209 25439 13591 1 19 . 1 1 8 8 ARG CA C 8 56.011 56.011 55.727 0.284 25439 13592 1 19 . 1 1 8 8 ARG CB C 8 31.058 31.058 30.315 0.743 25439 13593 1 19 . 1 1 8 8 ARG H H 8 8.526 8.526 8.547 -0.021 25439 13594 1 19 . 1 1 9 9 SER N N 9 118.446 118.446 120.088 -1.642 25439 13595 1 19 . 1 1 9 9 SER HA H 9 4.473 4.473 4.578 -0.105 25439 13596 1 19 . 1 1 9 9 SER CA C 9 58.568 58.568 58.152 0.416 25439 13597 1 19 . 1 1 9 9 SER CB C 9 63.986 63.986 63.438 0.548 25439 13598 1 19 . 1 1 9 9 SER H H 9 8.450 8.450 8.592 -0.142 25439 13599 1 19 . 1 1 10 10 LYS N N 10 124.117 124.117 122.493 1.624 25439 13600 1 19 . 1 1 10 10 LYS HA H 10 4.673 4.673 4.117 0.556 25439 13601 1 19 . 1 1 10 10 LYS CA C 10 54.412 54.412 56.695 -2.283 25439 13602 1 19 . 1 1 10 10 LYS CB C 10 32.693 32.693 32.156 0.537 25439 13603 1 19 . 1 1 10 10 LYS H H 10 8.426 8.426 8.363 0.063 25439 13604 1 19 . 1 1 11 11 PRO HA H 11 4.360 4.360 4.339 0.021 25439 13605 1 19 . 1 1 11 11 PRO CA C 11 62.861 62.861 62.910 -0.049 25439 13606 1 19 . 1 1 11 11 PRO CB C 11 32.106 32.106 32.029 0.077 25439 13607 1 19 . 1 1 12 12 ALA N N 12 124.420 124.420 120.432 3.988 25439 13608 1 19 . 1 1 12 12 ALA HA H 12 2.889 2.889 2.784 0.105 25439 13609 1 19 . 1 1 12 12 ALA CA C 12 49.735 49.735 50.895 -1.160 25439 13610 1 19 . 1 1 12 12 ALA CB C 12 18.066 18.066 16.380 1.686 25439 13611 1 19 . 1 1 12 12 ALA H H 12 7.890 7.890 7.814 0.076 25439 13612 1 19 . 1 1 13 13 PRO HA H 13 4.207 4.207 4.449 -0.242 25439 13613 1 19 . 1 1 13 13 PRO CA C 13 62.111 62.111 61.840 0.271 25439 13614 1 19 . 1 1 13 13 PRO CB C 13 32.582 32.582 32.292 0.290 25439 13615 1 19 . 1 1 14 14 ASP N N 14 119.535 119.535 120.003 -0.468 25439 13616 1 19 . 1 1 14 14 ASP HA H 14 4.379 4.379 4.269 0.110 25439 13617 1 19 . 1 1 14 14 ASP CA C 14 56.427 56.427 57.444 -1.017 25439 13618 1 19 . 1 1 14 14 ASP CB C 14 41.177 41.177 39.828 1.349 25439 13619 1 19 . 1 1 14 14 ASP H H 14 8.206 8.206 8.692 -0.486 25439 13620 1 19 . 1 1 15 15 GLY N N 15 113.273 113.273 108.042 5.231 25439 13621 1 19 . 1 1 15 15 GLY CA C 15 45.146 45.146 46.618 -1.472 25439 13622 1 19 . 1 1 15 15 GLY H H 15 8.723 8.723 8.499 0.224 25439 13623 1 19 . 1 1 16 16 PHE N N 16 123.113 123.113 122.590 0.523 25439 13624 1 19 . 1 1 16 16 PHE HA H 16 4.125 4.125 4.252 -0.127 25439 13625 1 19 . 1 1 16 16 PHE CA C 16 60.715 60.715 59.610 1.105 25439 13626 1 19 . 1 1 16 16 PHE CB C 16 39.639 39.639 39.060 0.579 25439 13627 1 19 . 1 1 16 16 PHE H H 16 8.127 8.127 8.303 -0.176 25439 13628 1 19 . 1 1 17 17 GLU N N 17 115.695 115.695 119.323 -3.628 25439 13629 1 19 . 1 1 17 17 GLU HA H 17 3.768 3.768 3.833 -0.065 25439 13630 1 19 . 1 1 17 17 GLU CA C 17 59.234 59.234 59.517 -0.282 25439 13631 1 19 . 1 1 17 17 GLU CB C 17 28.495 28.495 29.152 -0.657 25439 13632 1 19 . 1 1 17 17 GLU H H 17 9.088 9.088 8.113 0.975 25439 13633 1 19 . 1 1 18 18 LYS N N 18 115.887 115.887 117.595 -1.708 25439 13634 1 19 . 1 1 18 18 LYS HA H 18 4.165 4.165 4.077 0.088 25439 13635 1 19 . 1 1 18 18 LYS CA C 18 58.249 58.249 58.827 -0.578 25439 13636 1 19 . 1 1 18 18 LYS CB C 18 32.725 32.725 32.802 -0.077 25439 13637 1 19 . 1 1 18 18 LYS H H 18 7.285 7.285 7.755 -0.470 25439 13638 1 19 . 1 1 19 19 ILE N N 19 110.277 110.277 111.233 -0.956 25439 13639 1 19 . 1 1 19 19 ILE HA H 19 4.722 4.722 4.667 0.055 25439 13640 1 19 . 1 1 19 19 ILE CA C 19 61.093 61.093 59.806 1.287 25439 13641 1 19 . 1 1 19 19 ILE CB C 19 39.139 39.139 38.145 0.994 25439 13642 1 19 . 1 1 19 19 ILE H H 19 7.031 7.031 7.482 -0.451 25439 13643 1 19 . 1 1 20 20 LYS N N 20 124.540 124.540 122.581 1.959 25439 13644 1 19 . 1 1 20 20 LYS HA H 20 3.603 3.603 3.753 -0.150 25439 13645 1 19 . 1 1 20 20 LYS CA C 20 60.917 60.917 59.742 1.175 25439 13646 1 19 . 1 1 20 20 LYS CB C 20 30.210 30.210 30.477 -0.267 25439 13647 1 19 . 1 1 20 20 LYS H H 20 7.666 7.666 7.441 0.225 25439 13648 1 19 . 1 1 21 21 PRO HA H 21 4.292 4.292 4.616 -0.324 25439 13649 1 19 . 1 1 21 21 PRO CA C 21 66.990 66.990 65.249 1.741 25439 13650 1 19 . 1 1 21 21 PRO CB C 21 30.779 30.779 31.554 -0.775 25439 13651 1 19 . 1 1 22 22 THR N N 22 114.917 114.917 115.032 -0.115 25439 13652 1 19 . 1 1 22 22 THR HA H 22 3.866 3.866 4.076 -0.210 25439 13653 1 19 . 1 1 22 22 THR CA C 22 66.575 66.575 66.573 0.002 25439 13654 1 19 . 1 1 22 22 THR CB C 22 68.731 68.731 68.201 0.530 25439 13655 1 19 . 1 1 22 22 THR H H 22 7.331 7.331 8.339 -1.008 25439 13656 1 19 . 1 1 23 23 LEU N N 23 120.152 120.152 120.193 -0.041 25439 13657 1 19 . 1 1 23 23 LEU HA H 23 4.397 4.397 4.064 0.333 25439 13658 1 19 . 1 1 23 23 LEU CA C 23 58.740 58.740 57.771 0.969 25439 13659 1 19 . 1 1 23 23 LEU CB C 23 40.489 40.489 41.932 -1.443 25439 13660 1 19 . 1 1 23 23 LEU H H 23 7.991 7.991 7.683 0.308 25439 13661 1 19 . 1 1 24 24 THR N N 24 119.365 119.365 116.124 3.241 25439 13662 1 19 . 1 1 24 24 THR HA H 24 4.095 4.095 3.913 0.182 25439 13663 1 19 . 1 1 24 24 THR CA C 24 66.834 66.834 67.198 -0.364 25439 13664 1 19 . 1 1 24 24 THR CB C 24 68.614 68.614 68.315 0.299 25439 13665 1 19 . 1 1 24 24 THR H H 24 9.175 9.175 7.566 1.609 25439 13666 1 19 . 1 1 25 25 ASP N N 25 122.865 122.865 121.409 1.456 25439 13667 1 19 . 1 1 25 25 ASP HA H 25 4.483 4.483 4.372 0.111 25439 13668 1 19 . 1 1 25 25 ASP CA C 25 58.158 58.158 57.366 0.792 25439 13669 1 19 . 1 1 25 25 ASP CB C 25 40.329 40.329 40.470 -0.141 25439 13670 1 19 . 1 1 25 25 ASP H H 25 7.714 7.714 7.676 0.038 25439 13671 1 19 . 1 1 26 26 PHE N N 26 116.182 116.182 118.648 -2.466 25439 13672 1 19 . 1 1 26 26 PHE HA H 26 4.457 4.457 4.070 0.387 25439 13673 1 19 . 1 1 26 26 PHE CA C 26 62.531 62.531 62.198 0.333 25439 13674 1 19 . 1 1 26 26 PHE CB C 26 39.468 39.468 38.733 0.735 25439 13675 1 19 . 1 1 26 26 PHE H H 26 7.816 7.816 7.967 -0.151 25439 13676 1 19 . 1 1 27 27 GLU N N 27 120.107 120.107 119.095 1.012 25439 13677 1 19 . 1 1 27 27 GLU HA H 27 4.113 4.113 4.022 0.091 25439 13678 1 19 . 1 1 27 27 GLU CA C 27 59.852 59.852 60.000 -0.148 25439 13679 1 19 . 1 1 27 27 GLU CB C 27 29.692 29.692 29.196 0.496 25439 13680 1 19 . 1 1 27 27 GLU H H 27 8.068 8.068 8.018 0.050 25439 13681 1 19 . 1 1 28 28 ILE N N 28 121.494 121.494 120.017 1.477 25439 13682 1 19 . 1 1 28 28 ILE HA H 28 3.718 3.718 3.747 -0.029 25439 13683 1 19 . 1 1 28 28 ILE CA C 28 65.002 65.002 65.103 -0.101 25439 13684 1 19 . 1 1 28 28 ILE CB C 28 38.023 38.023 37.859 0.164 25439 13685 1 19 . 1 1 28 28 ILE H H 28 8.531 8.531 7.346 1.185 25439 13686 1 19 . 1 1 29 29 GLN N N 29 118.941 118.941 119.930 -0.989 25439 13687 1 19 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.051 0.129 25439 13688 1 19 . 1 1 29 29 GLN CA C 29 59.507 59.507 58.962 0.545 25439 13689 1 19 . 1 1 29 29 GLN CB C 29 29.783 29.783 28.767 1.016 25439 13690 1 19 . 1 1 29 29 GLN H H 29 8.117 8.117 7.585 0.532 25439 13691 1 19 . 1 1 30 30 LEU N N 30 121.724 121.724 121.079 0.645 25439 13692 1 19 . 1 1 30 30 LEU HA H 30 4.032 4.032 4.070 -0.038 25439 13693 1 19 . 1 1 30 30 LEU CA C 30 58.333 58.333 57.979 0.354 25439 13694 1 19 . 1 1 30 30 LEU CB C 30 42.339 42.339 41.852 0.487 25439 13695 1 19 . 1 1 30 30 LEU H H 30 8.677 8.677 8.824 -0.147 25439 13696 1 19 . 1 1 31 31 ARG N N 31 120.629 120.629 119.180 1.449 25439 13697 1 19 . 1 1 31 31 ARG HA H 31 4.105 4.105 3.964 0.141 25439 13698 1 19 . 1 1 31 31 ARG CA C 31 59.340 59.340 60.206 -0.866 25439 13699 1 19 . 1 1 31 31 ARG CB C 31 30.044 30.044 29.674 0.370 25439 13700 1 19 . 1 1 31 31 ARG H H 31 8.227 8.227 8.578 -0.351 25439 13701 1 19 . 1 1 32 32 ASP N N 32 120.233 120.233 120.049 0.184 25439 13702 1 19 . 1 1 32 32 ASP HA H 32 4.484 4.484 4.380 0.104 25439 13703 1 19 . 1 1 32 32 ASP CA C 32 57.199 57.199 57.522 -0.323 25439 13704 1 19 . 1 1 32 32 ASP CB C 32 40.202 40.202 40.545 -0.343 25439 13705 1 19 . 1 1 32 32 ASP H H 32 8.407 8.407 7.676 0.731 25439 13706 1 19 . 1 1 33 33 ALA N N 33 121.939 121.939 122.529 -0.590 25439 13707 1 19 . 1 1 33 33 ALA HA H 33 4.321 4.321 3.895 0.426 25439 13708 1 19 . 1 1 33 33 ALA CA C 33 54.207 54.207 55.105 -0.898 25439 13709 1 19 . 1 1 33 33 ALA CB C 33 18.738 18.738 18.352 0.386 25439 13710 1 19 . 1 1 33 33 ALA H H 33 8.057 8.057 7.515 0.542 25439 13711 1 19 . 1 1 34 34 GLN N N 34 114.736 114.736 117.631 -2.895 25439 13712 1 19 . 1 1 34 34 GLN HA H 34 4.248 4.248 4.037 0.211 25439 13713 1 19 . 1 1 34 34 GLN CA C 34 56.567 56.567 58.908 -2.341 25439 13714 1 19 . 1 1 34 34 GLN CB C 34 29.743 29.743 28.773 0.970 25439 13715 1 19 . 1 1 34 34 GLN H H 34 7.746 7.746 8.637 -0.891 25439 13716 1 19 . 1 1 35 35 LYS N N 35 120.534 120.534 118.669 1.865 25439 13717 1 19 . 1 1 35 35 LYS HA H 35 4.232 4.232 4.158 0.074 25439 13718 1 19 . 1 1 35 35 LYS CA C 35 57.427 57.427 58.476 -1.049 25439 13719 1 19 . 1 1 35 35 LYS CB C 35 32.887 32.887 32.253 0.634 25439 13720 1 19 . 1 1 35 35 LYS H H 35 7.570 7.570 8.153 -0.583 25439 13721 1 19 . 1 1 36 36 ASP N N 36 120.943 120.943 120.594 0.349 25439 13722 1 19 . 1 1 36 36 ASP HA H 36 4.595 4.595 4.385 0.210 25439 13723 1 19 . 1 1 36 36 ASP CA C 36 54.983 54.983 57.276 -2.293 25439 13724 1 19 . 1 1 36 36 ASP CB C 36 41.129 41.129 40.916 0.213 25439 13725 1 19 . 1 1 36 36 ASP H H 36 8.375 8.375 8.312 0.063 25439 13726 1 19 . 1 1 37 37 LYS N N 37 122.598 122.598 119.086 3.512 25439 13727 1 19 . 1 1 37 37 LYS HA H 37 4.365 4.365 4.088 0.277 25439 13728 1 19 . 1 1 37 37 LYS CA C 37 56.725 56.725 58.682 -1.957 25439 13729 1 19 . 1 1 37 37 LYS CB C 37 32.823 32.823 32.657 0.167 25439 13730 1 19 . 1 1 37 37 LYS H H 37 8.446 8.446 7.516 0.930 25439 13731 1 19 . 1 1 38 38 SER N N 38 115.849 115.849 113.033 2.816 25439 13732 1 19 . 1 1 38 38 SER HA H 38 4.423 4.423 4.598 -0.175 25439 13733 1 19 . 1 1 38 38 SER CA C 38 59.193 59.193 57.853 1.340 25439 13734 1 19 . 1 1 38 38 SER CB C 38 63.744 63.744 63.555 0.189 25439 13735 1 19 . 1 1 38 38 SER H H 38 8.392 8.392 7.668 0.724 25439 13736 1 19 . 1 1 39 39 SER N N 39 117.258 117.258 116.479 0.779 25439 13737 1 19 . 1 1 39 39 SER HA H 39 4.445 4.445 4.655 -0.210 25439 13738 1 19 . 1 1 39 39 SER CA C 39 58.933 58.933 60.192 -1.259 25439 13739 1 19 . 1 1 39 39 SER CB C 39 63.711 63.711 64.235 -0.524 25439 13740 1 19 . 1 1 39 39 SER H H 39 8.283 8.283 7.970 0.313 25439 13741 1 19 . 1 1 40 40 LYS N N 40 122.427 122.427 120.814 1.613 25439 13742 1 19 . 1 1 40 40 LYS HA H 40 4.321 4.321 4.481 -0.160 25439 13743 1 19 . 1 1 40 40 LYS CA C 40 56.847 56.847 56.009 0.838 25439 13744 1 19 . 1 1 40 40 LYS CB C 40 32.764 32.764 33.888 -1.124 25439 13745 1 19 . 1 1 40 40 LYS H H 40 8.263 8.263 7.696 0.567 25439 13746 1 19 . 1 1 41 41 LEU N N 41 121.281 121.281 119.255 2.026 25439 13747 1 19 . 1 1 41 41 LEU HA H 41 4.308 4.308 3.953 0.355 25439 13748 1 19 . 1 1 41 41 LEU CA C 41 55.335 55.335 54.959 0.376 25439 13749 1 19 . 1 1 41 41 LEU CB C 41 42.212 42.212 40.962 1.250 25439 13750 1 19 . 1 1 41 41 LEU H H 41 8.068 8.068 8.397 -0.329 25439 13751 1 19 . 1 1 42 42 ALA N N 42 123.964 123.964 122.479 1.485 25439 13752 1 19 . 1 1 42 42 ALA HA H 42 4.274 4.274 4.320 -0.046 25439 13753 1 19 . 1 1 42 42 ALA CA C 42 52.851 52.851 52.529 0.322 25439 13754 1 19 . 1 1 42 42 ALA CB C 42 19.135 19.135 19.614 -0.479 25439 13755 1 19 . 1 1 42 42 ALA H H 42 8.111 8.111 8.289 -0.178 25439 13756 1 19 . 1 1 43 43 ALA N N 43 122.146 122.146 122.448 -0.302 25439 13757 1 19 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.397 -0.100 25439 13758 1 19 . 1 1 43 43 ALA CA C 43 52.727 52.727 51.430 1.297 25439 13759 1 19 . 1 1 43 43 ALA CB C 43 19.318 19.318 20.335 -1.018 25439 13760 1 19 . 1 1 43 43 ALA H H 43 8.101 8.101 7.873 0.228 25439 13761 1 19 . 1 1 44 44 LYS N N 44 119.454 119.454 121.427 -1.973 25439 13762 1 19 . 1 1 44 44 LYS HA H 44 4.349 4.349 4.001 0.348 25439 13763 1 19 . 1 1 44 44 LYS CA C 44 56.267 56.267 56.975 -0.708 25439 13764 1 19 . 1 1 44 44 LYS CB C 44 32.825 32.825 31.020 1.805 25439 13765 1 19 . 1 1 44 44 LYS H H 44 8.198 8.198 8.789 -0.591 25439 13766 1 19 . 1 1 45 45 SER N N 45 116.660 116.660 112.438 4.222 25439 13767 1 19 . 1 1 45 45 SER HA H 45 4.368 4.368 4.502 -0.134 25439 13768 1 19 . 1 1 45 45 SER CA C 45 58.477 58.477 58.539 -0.062 25439 13769 1 19 . 1 1 45 45 SER CB C 45 64.063 64.063 64.577 -0.514 25439 13770 1 19 . 1 1 45 45 SER H H 45 8.251 8.251 8.207 0.044 25439 13771 1 19 . 1 1 46 46 ASN N N 46 120.516 120.516 120.013 0.503 25439 13772 1 19 . 1 1 46 46 ASN HA H 46 4.361 4.361 4.209 0.152 25439 13773 1 19 . 1 1 46 46 ASN CA C 46 54.657 54.657 56.047 -1.390 25439 13774 1 19 . 1 1 46 46 ASN CB C 46 37.649 37.649 37.753 -0.104 25439 13775 1 19 . 1 1 46 46 ASN H H 46 8.498 8.498 8.566 -0.068 25439 13776 1 19 . 1 1 47 47 GLU N N 47 117.964 117.964 117.957 0.007 25439 13777 1 19 . 1 1 47 47 GLU HA H 47 3.350 3.350 3.061 0.289 25439 13778 1 19 . 1 1 47 47 GLU CA C 47 59.213 59.213 59.156 0.057 25439 13779 1 19 . 1 1 47 47 GLU CB C 47 28.998 28.998 28.979 0.019 25439 13780 1 19 . 1 1 47 47 GLU H H 47 8.016 8.016 8.268 -0.252 25439 13781 1 19 . 1 1 48 48 GLN N N 48 119.468 119.468 119.288 0.180 25439 13782 1 19 . 1 1 48 48 GLN HA H 48 4.250 4.250 4.077 0.173 25439 13783 1 19 . 1 1 48 48 GLN CA C 48 58.529 58.529 58.231 0.298 25439 13784 1 19 . 1 1 48 48 GLN CB C 48 28.902 28.902 27.879 1.023 25439 13785 1 19 . 1 1 48 48 GLN H H 48 7.892 7.892 7.348 0.544 25439 13786 1 19 . 1 1 49 49 LEU N N 49 120.145 120.145 119.964 0.181 25439 13787 1 19 . 1 1 49 49 LEU HA H 49 4.232 4.232 3.969 0.263 25439 13788 1 19 . 1 1 49 49 LEU CA C 49 57.479 57.479 57.585 -0.106 25439 13789 1 19 . 1 1 49 49 LEU CB C 49 41.391 41.391 41.685 -0.294 25439 13790 1 19 . 1 1 49 49 LEU H H 49 7.699 7.699 7.511 0.188 25439 13791 1 19 . 1 1 50 50 TRP N N 50 119.596 119.596 117.703 1.893 25439 13792 1 19 . 1 1 50 50 TRP HA H 50 4.520 4.520 4.493 0.027 25439 13793 1 19 . 1 1 50 50 TRP CA C 50 58.353 58.353 57.091 1.262 25439 13794 1 19 . 1 1 50 50 TRP CB C 50 28.880 28.880 28.016 0.864 25439 13795 1 19 . 1 1 50 50 TRP H H 50 8.385 8.385 7.577 0.808 25439 13796 1 19 . 1 1 51 51 GLU N N 51 119.362 119.362 119.562 -0.200 25439 13797 1 19 . 1 1 51 51 GLU HA H 51 4.145 4.145 4.155 -0.010 25439 13798 1 19 . 1 1 51 51 GLU CA C 51 60.035 60.035 59.560 0.475 25439 13799 1 19 . 1 1 51 51 GLU CB C 51 29.675 29.675 29.224 0.451 25439 13800 1 19 . 1 1 51 51 GLU H H 51 8.223 8.223 7.757 0.466 25439 13801 1 19 . 1 1 52 52 ILE N N 52 119.018 119.018 119.383 -0.365 25439 13802 1 19 . 1 1 52 52 ILE HA H 52 3.673 3.673 3.727 -0.054 25439 13803 1 19 . 1 1 52 52 ILE CA C 52 65.511 65.511 65.229 0.282 25439 13804 1 19 . 1 1 52 52 ILE CB C 52 38.532 38.532 38.013 0.519 25439 13805 1 19 . 1 1 52 52 ILE H H 52 7.801 7.801 7.730 0.071 25439 13806 1 19 . 1 1 53 53 MET N N 53 118.133 118.133 117.315 0.818 25439 13807 1 19 . 1 1 53 53 MET HA H 53 4.452 4.452 4.118 0.334 25439 13808 1 19 . 1 1 53 53 MET CA C 53 58.216 58.216 58.638 -0.422 25439 13809 1 19 . 1 1 53 53 MET CB C 53 31.838 31.838 31.939 -0.101 25439 13810 1 19 . 1 1 53 53 MET H H 53 8.411 8.411 7.565 0.846 25439 13811 1 19 . 1 1 54 54 GLN N N 54 120.855 120.855 119.258 1.597 25439 13812 1 19 . 1 1 54 54 GLN HA H 54 4.333 4.333 4.007 0.326 25439 13813 1 19 . 1 1 54 54 GLN CA C 54 59.004 59.004 58.316 0.689 25439 13814 1 19 . 1 1 54 54 GLN CB C 54 27.824 27.824 28.953 -1.129 25439 13815 1 19 . 1 1 54 54 GLN H H 54 8.860 8.860 8.453 0.407 25439 13816 1 19 . 1 1 55 55 LEU N N 55 122.788 122.788 119.900 2.888 25439 13817 1 19 . 1 1 55 55 LEU HA H 55 4.302 4.302 4.155 0.147 25439 13818 1 19 . 1 1 55 55 LEU CA C 55 58.685 58.685 58.225 0.460 25439 13819 1 19 . 1 1 55 55 LEU CB C 55 42.695 42.695 41.984 0.711 25439 13820 1 19 . 1 1 55 55 LEU H H 55 8.298 8.298 8.114 0.184 25439 13821 1 19 . 1 1 56 56 HIS N N 56 118.426 118.426 117.807 0.619 25439 13822 1 19 . 1 1 56 56 HIS HA H 56 4.317 4.317 4.187 0.130 25439 13823 1 19 . 1 1 56 56 HIS CA C 56 60.732 60.732 60.598 0.134 25439 13824 1 19 . 1 1 56 56 HIS CB C 56 30.530 30.530 29.737 0.793 25439 13825 1 19 . 1 1 56 56 HIS H H 56 8.416 8.416 7.817 0.599 25439 13826 1 19 . 1 1 57 57 HIS N N 57 121.197 121.197 119.610 1.587 25439 13827 1 19 . 1 1 57 57 HIS HA H 57 4.318 4.318 4.560 -0.242 25439 13828 1 19 . 1 1 57 57 HIS CA C 57 60.739 60.739 58.797 1.942 25439 13829 1 19 . 1 1 57 57 HIS CB C 57 28.726 28.726 30.129 -1.403 25439 13830 1 19 . 1 1 57 57 HIS H H 57 8.608 8.608 8.286 0.322 25439 13831 1 19 . 1 1 58 58 GLN N N 58 118.739 118.739 118.673 0.066 25439 13832 1 19 . 1 1 58 58 GLN HA H 58 4.202 4.202 4.209 -0.007 25439 13833 1 19 . 1 1 58 58 GLN CA C 58 59.507 59.507 59.238 0.269 25439 13834 1 19 . 1 1 58 58 GLN CB C 58 29.111 29.111 28.489 0.622 25439 13835 1 19 . 1 1 58 58 GLN H H 58 9.206 9.206 8.352 0.854 25439 13836 1 19 . 1 1 59 59 ARG N N 59 122.498 122.498 120.275 2.223 25439 13837 1 19 . 1 1 59 59 ARG HA H 59 3.437 3.437 3.698 -0.261 25439 13838 1 19 . 1 1 59 59 ARG CA C 59 60.361 60.361 59.766 0.595 25439 13839 1 19 . 1 1 59 59 ARG H H 59 8.623 8.623 8.196 0.427 25439 13840 1 19 . 1 1 60 60 SER N N 60 114.930 114.930 115.325 -0.395 25439 13841 1 19 . 1 1 60 60 SER HA H 60 4.515 4.515 4.275 0.240 25439 13842 1 19 . 1 1 60 60 SER CA C 60 64.832 64.832 61.734 3.098 25439 13843 1 19 . 1 1 60 60 SER CB C 60 63.583 63.583 63.329 0.254 25439 13844 1 19 . 1 1 60 60 SER H H 60 7.993 7.993 8.682 -0.689 25439 13845 1 19 . 1 1 61 61 ARG N N 61 124.417 124.417 122.498 1.919 25439 13846 1 19 . 1 1 61 61 ARG HA H 61 4.204 4.204 4.175 0.029 25439 13847 1 19 . 1 1 61 61 ARG CA C 61 58.852 58.852 59.733 -0.881 25439 13848 1 19 . 1 1 61 61 ARG CB C 61 29.077 29.077 30.235 -1.158 25439 13849 1 19 . 1 1 61 61 ARG H H 61 9.569 9.569 8.851 0.718 25439 13850 1 19 . 1 1 62 62 TYR N N 62 124.484 124.484 121.102 3.382 25439 13851 1 19 . 1 1 62 62 TYR HA H 62 4.676 4.676 4.274 0.402 25439 13852 1 19 . 1 1 62 62 TYR CA C 62 61.006 61.006 61.980 -0.974 25439 13853 1 19 . 1 1 62 62 TYR CB C 62 38.392 38.392 38.669 -0.277 25439 13854 1 19 . 1 1 62 62 TYR H H 62 8.622 8.622 8.319 0.302 25439 13855 1 19 . 1 1 63 63 ILE N N 63 119.789 119.789 119.078 0.711 25439 13856 1 19 . 1 1 63 63 ILE HA H 63 3.492 3.492 3.768 -0.276 25439 13857 1 19 . 1 1 63 63 ILE CA C 63 65.693 65.693 65.577 0.116 25439 13858 1 19 . 1 1 63 63 ILE CB C 63 38.023 38.023 38.297 -0.274 25439 13859 1 19 . 1 1 63 63 ILE H H 63 7.588 7.588 8.255 -0.667 25439 13860 1 19 . 1 1 64 64 TYR N N 64 120.485 120.485 120.995 -0.510 25439 13861 1 19 . 1 1 64 64 TYR HA H 64 4.577 4.577 4.318 0.259 25439 13862 1 19 . 1 1 64 64 TYR CA C 64 61.759 61.759 62.093 -0.334 25439 13863 1 19 . 1 1 64 64 TYR CB C 64 39.772 39.772 38.480 1.292 25439 13864 1 19 . 1 1 64 64 TYR H H 64 9.166 9.166 9.236 -0.070 25439 13865 1 19 . 1 1 65 65 THR N N 65 117.072 117.072 116.324 0.748 25439 13866 1 19 . 1 1 65 65 THR HA H 65 3.562 3.562 3.927 -0.365 25439 13867 1 19 . 1 1 65 65 THR CA C 65 67.016 67.016 67.245 -0.229 25439 13868 1 19 . 1 1 65 65 THR CB C 65 68.711 68.711 69.036 -0.325 25439 13869 1 19 . 1 1 65 65 THR H H 65 8.987 8.987 8.670 0.317 25439 13870 1 19 . 1 1 66 66 LEU N N 66 122.107 122.107 121.069 1.038 25439 13871 1 19 . 1 1 66 66 LEU HA H 66 3.782 3.782 4.241 -0.459 25439 13872 1 19 . 1 1 66 66 LEU CA C 66 58.476 58.476 57.958 0.518 25439 13873 1 19 . 1 1 66 66 LEU CB C 66 43.183 43.183 40.889 2.294 25439 13874 1 19 . 1 1 66 66 LEU H H 66 8.286 8.286 7.691 0.595 25439 13875 1 19 . 1 1 67 67 TYR N N 67 115.264 115.264 119.537 -4.273 25439 13876 1 19 . 1 1 67 67 TYR HA H 67 4.344 4.344 4.107 0.237 25439 13877 1 19 . 1 1 67 67 TYR CA C 67 60.830 60.830 61.657 -0.827 25439 13878 1 19 . 1 1 67 67 TYR CB C 67 40.376 40.376 39.473 0.903 25439 13879 1 19 . 1 1 67 67 TYR H H 67 7.983 7.983 8.436 -0.453 25439 13880 1 19 . 1 1 68 68 TYR N N 68 113.945 113.945 116.715 -2.770 25439 13881 1 19 . 1 1 68 68 TYR HA H 68 3.699 3.699 4.260 -0.561 25439 13882 1 19 . 1 1 68 68 TYR CA C 68 62.030 62.030 60.779 1.251 25439 13883 1 19 . 1 1 68 68 TYR CB C 68 38.046 38.046 39.030 -0.984 25439 13884 1 19 . 1 1 68 68 TYR H H 68 8.297 8.297 7.774 0.523 25439 13885 1 19 . 1 1 69 69 LYS N N 69 114.346 114.346 118.744 -4.398 25439 13886 1 19 . 1 1 69 69 LYS HA H 69 4.564 4.564 4.301 0.263 25439 13887 1 19 . 1 1 69 69 LYS CA C 69 56.821 56.821 56.900 -0.079 25439 13888 1 19 . 1 1 69 69 LYS CB C 69 31.980 31.980 33.249 -1.269 25439 13889 1 19 . 1 1 69 69 LYS H H 69 7.084 7.084 7.506 -0.422 25439 13890 1 19 . 1 1 70 70 ARG N N 70 114.676 114.676 119.417 -4.741 25439 13891 1 19 . 1 1 70 70 ARG HA H 70 4.251 4.251 4.107 0.144 25439 13892 1 19 . 1 1 70 70 ARG CA C 70 56.314 56.314 57.404 -1.090 25439 13893 1 19 . 1 1 70 70 ARG CB C 70 31.128 31.128 30.680 0.448 25439 13894 1 19 . 1 1 70 70 ARG H H 70 8.178 8.178 8.012 0.166 25439 13895 1 19 . 1 1 71 71 LYS N N 71 115.371 115.371 115.374 -0.003 25439 13896 1 19 . 1 1 71 71 LYS HA H 71 4.036 4.036 3.784 0.252 25439 13897 1 19 . 1 1 71 71 LYS CA C 71 57.121 57.121 57.141 -0.020 25439 13898 1 19 . 1 1 71 71 LYS CB C 71 28.897 28.897 30.305 -1.408 25439 13899 1 19 . 1 1 71 71 LYS H H 71 6.843 6.843 7.858 -1.015 25439 13900 1 19 . 1 1 72 72 ALA N N 72 117.701 117.701 121.448 -3.747 25439 13901 1 19 . 1 1 72 72 ALA HA H 72 4.395 4.395 4.451 -0.056 25439 13902 1 19 . 1 1 72 72 ALA CA C 72 52.597 52.597 51.785 0.812 25439 13903 1 19 . 1 1 72 72 ALA CB C 72 21.560 21.560 19.835 1.725 25439 13904 1 19 . 1 1 72 72 ALA H H 72 8.560 8.560 7.694 0.866 25439 13905 1 19 . 1 1 73 73 ILE N N 73 107.605 107.605 116.863 -9.258 25439 13906 1 19 . 1 1 73 73 ILE CB C 73 42.724 42.724 41.202 1.522 25439 13907 1 19 . 1 1 73 73 ILE H H 73 7.074 7.074 7.409 -0.335 25439 13908 1 19 . 1 1 74 74 SER N N 74 118.425 118.425 117.671 0.754 25439 13909 1 19 . 1 1 74 74 SER HA H 74 4.484 4.484 4.900 -0.416 25439 13910 1 19 . 1 1 74 74 SER CA C 74 57.082 57.082 56.215 0.867 25439 13911 1 19 . 1 1 74 74 SER CB C 74 65.396 65.396 64.592 0.804 25439 13912 1 19 . 1 1 74 74 SER H H 74 8.797 8.797 8.484 0.313 25439 13913 1 19 . 1 1 75 75 LYS N N 75 121.891 121.891 125.425 -3.534 25439 13914 1 19 . 1 1 75 75 LYS HA H 75 3.851 3.851 4.200 -0.349 25439 13915 1 19 . 1 1 75 75 LYS CA C 75 59.624 59.624 60.139 -0.515 25439 13916 1 19 . 1 1 75 75 LYS CB C 75 32.368 32.368 32.614 -0.246 25439 13917 1 19 . 1 1 75 75 LYS H H 75 9.024 9.024 9.112 -0.088 25439 13918 1 19 . 1 1 76 76 ASP N N 76 115.908 115.908 119.356 -3.448 25439 13919 1 19 . 1 1 76 76 ASP HA H 76 4.423 4.423 4.414 0.009 25439 13920 1 19 . 1 1 76 76 ASP CA C 76 57.362 57.362 57.768 -0.406 25439 13921 1 19 . 1 1 76 76 ASP CB C 76 40.391 40.391 40.341 0.050 25439 13922 1 19 . 1 1 76 76 ASP H H 76 8.161 8.161 8.308 -0.147 25439 13923 1 19 . 1 1 77 77 LEU N N 77 121.705 121.705 121.213 0.492 25439 13924 1 19 . 1 1 77 77 LEU HA H 77 4.180 4.180 4.109 0.071 25439 13925 1 19 . 1 1 77 77 LEU CA C 77 57.818 57.818 57.812 0.006 25439 13926 1 19 . 1 1 77 77 LEU H H 77 8.345 8.345 7.699 0.646 25439 13927 1 19 . 1 1 78 78 TYR N N 78 121.511 121.511 119.899 1.612 25439 13928 1 19 . 1 1 78 78 TYR HA H 78 3.789 3.789 4.014 -0.225 25439 13929 1 19 . 1 1 78 78 TYR CA C 78 62.857 62.857 60.556 2.301 25439 13930 1 19 . 1 1 78 78 TYR CB C 78 38.369 38.369 37.787 0.582 25439 13931 1 19 . 1 1 78 78 TYR H H 78 8.598 8.598 8.726 -0.128 25439 13932 1 19 . 1 1 79 79 ASP N N 79 117.189 117.189 119.715 -2.526 25439 13933 1 19 . 1 1 79 79 ASP HA H 79 4.066 4.066 4.022 0.044 25439 13934 1 19 . 1 1 79 79 ASP CA C 79 57.219 57.219 57.401 -0.182 25439 13935 1 19 . 1 1 79 79 ASP CB C 79 40.003 40.003 40.651 -0.648 25439 13936 1 19 . 1 1 79 79 ASP H H 79 9.106 9.106 8.653 0.453 25439 13937 1 19 . 1 1 80 80 TRP N N 80 123.400 123.400 121.686 1.714 25439 13938 1 19 . 1 1 80 80 TRP HA H 80 4.160 4.160 4.143 0.017 25439 13939 1 19 . 1 1 80 80 TRP CA C 80 62.368 62.368 61.428 0.939 25439 13940 1 19 . 1 1 80 80 TRP CB C 80 29.969 29.969 29.407 0.562 25439 13941 1 19 . 1 1 80 80 TRP H H 80 7.931 7.931 8.462 -0.531 25439 13942 1 19 . 1 1 81 81 LEU N N 81 119.674 119.674 119.058 0.616 25439 13943 1 19 . 1 1 81 81 LEU HA H 81 3.971 3.971 2.684 1.287 25439 13944 1 19 . 1 1 81 81 LEU CA C 81 58.294 58.294 57.713 0.581 25439 13945 1 19 . 1 1 81 81 LEU CB C 81 41.818 41.818 41.544 0.274 25439 13946 1 19 . 1 1 81 81 LEU H H 81 8.814 8.814 7.980 0.834 25439 13947 1 19 . 1 1 82 82 ILE N N 82 118.746 118.746 119.024 -0.278 25439 13948 1 19 . 1 1 82 82 ILE HA H 82 3.861 3.861 3.725 0.136 25439 13949 1 19 . 1 1 82 82 ILE CA C 82 62.734 62.734 64.985 -2.251 25439 13950 1 19 . 1 1 82 82 ILE CB C 82 36.236 36.236 37.815 -1.579 25439 13951 1 19 . 1 1 82 82 ILE H H 82 7.886 7.886 7.614 0.272 25439 13952 1 19 . 1 1 83 83 LYS N N 83 124.819 124.819 119.512 5.307 25439 13953 1 19 . 1 1 83 83 LYS HA H 83 3.911 3.911 4.087 -0.176 25439 13954 1 19 . 1 1 83 83 LYS CA C 83 59.643 59.643 58.023 1.620 25439 13955 1 19 . 1 1 83 83 LYS CB C 83 32.027 32.027 32.639 -0.612 25439 13956 1 19 . 1 1 83 83 LYS H H 83 8.224 8.224 7.912 0.312 25439 13957 1 19 . 1 1 84 84 GLU N N 84 115.404 115.404 118.000 -2.596 25439 13958 1 19 . 1 1 84 84 GLU HA H 84 3.841 3.841 4.330 -0.489 25439 13959 1 19 . 1 1 84 84 GLU CA C 84 55.582 55.582 54.505 1.077 25439 13960 1 19 . 1 1 84 84 GLU CB C 84 29.459 29.459 29.138 0.321 25439 13961 1 19 . 1 1 84 84 GLU H H 84 8.138 8.138 7.234 0.904 25439 13962 1 19 . 1 1 85 85 LYS N N 85 111.563 111.563 118.919 -7.356 25439 13963 1 19 . 1 1 85 85 LYS HA H 85 3.820 3.820 4.058 -0.238 25439 13964 1 19 . 1 1 85 85 LYS CA C 85 57.890 57.890 57.246 0.644 25439 13965 1 19 . 1 1 85 85 LYS CB C 85 28.005 28.005 31.109 -3.104 25439 13966 1 19 . 1 1 85 85 LYS H H 85 7.719 7.719 7.729 -0.010 25439 13967 1 19 . 1 1 86 86 TYR N N 86 116.916 116.916 120.687 -3.771 25439 13968 1 19 . 1 1 86 86 TYR HA H 86 4.137 4.137 4.443 -0.306 25439 13969 1 19 . 1 1 86 86 TYR CA C 86 61.228 61.228 58.842 2.386 25439 13970 1 19 . 1 1 86 86 TYR CB C 86 39.535 39.535 39.917 -0.382 25439 13971 1 19 . 1 1 86 86 TYR H H 86 8.521 8.521 8.274 0.247 25439 13972 1 19 . 1 1 87 87 ALA N N 87 113.715 113.715 119.112 -5.397 25439 13973 1 19 . 1 1 87 87 ALA HA H 87 4.738 4.738 4.274 0.464 25439 13974 1 19 . 1 1 87 87 ALA CA C 87 49.121 49.121 50.472 -1.351 25439 13975 1 19 . 1 1 87 87 ALA CB C 87 23.295 23.295 21.539 1.756 25439 13976 1 19 . 1 1 87 87 ALA H H 87 6.959 6.959 7.827 -0.868 25439 13977 1 19 . 1 1 88 88 ASP N N 88 119.344 119.344 119.551 -0.207 25439 13978 1 19 . 1 1 88 88 ASP HA H 88 4.544 4.544 4.931 -0.387 25439 13979 1 19 . 1 1 88 88 ASP CA C 88 52.714 52.714 53.325 -0.611 25439 13980 1 19 . 1 1 88 88 ASP CB C 88 41.845 41.845 42.151 -0.305 25439 13981 1 19 . 1 1 88 88 ASP H H 88 7.870 7.870 8.750 -0.880 25439 13982 1 19 . 1 1 89 89 LYS N N 89 125.312 125.312 126.087 -0.775 25439 13983 1 19 . 1 1 89 89 LYS HA H 89 3.834 3.834 4.070 -0.236 25439 13984 1 19 . 1 1 89 89 LYS CA C 89 59.409 59.409 59.763 -0.353 25439 13985 1 19 . 1 1 89 89 LYS CB C 89 32.848 32.848 32.544 0.304 25439 13986 1 19 . 1 1 89 89 LYS H H 89 8.467 8.467 8.739 -0.272 25439 13987 1 19 . 1 1 90 90 LEU N N 90 119.899 119.899 120.431 -0.532 25439 13988 1 19 . 1 1 90 90 LEU HA H 90 4.023 4.023 4.000 0.023 25439 13989 1 19 . 1 1 90 90 LEU CA C 90 57.049 57.049 57.824 -0.775 25439 13990 1 19 . 1 1 90 90 LEU CB C 90 41.099 41.099 41.595 -0.496 25439 13991 1 19 . 1 1 90 90 LEU H H 90 8.076 8.076 7.839 0.237 25439 13992 1 19 . 1 1 91 91 LEU N N 91 123.148 123.148 120.279 2.869 25439 13993 1 19 . 1 1 91 91 LEU HA H 91 3.498 3.498 3.692 -0.194 25439 13994 1 19 . 1 1 91 91 LEU CA C 91 56.971 56.971 57.712 -0.741 25439 13995 1 19 . 1 1 91 91 LEU CB C 91 41.823 41.823 41.554 0.269 25439 13996 1 19 . 1 1 91 91 LEU H H 91 7.120 7.120 7.907 -0.787 25439 13997 1 19 . 1 1 92 92 ILE N N 92 116.780 116.780 118.590 -1.810 25439 13998 1 19 . 1 1 92 92 ILE HA H 92 3.265 3.265 3.569 -0.304 25439 13999 1 19 . 1 1 92 92 ILE CA C 92 65.178 65.178 65.289 -0.111 25439 14000 1 19 . 1 1 92 92 ILE CB C 92 38.209 38.209 37.413 0.796 25439 14001 1 19 . 1 1 92 92 ILE H H 92 7.384 7.384 7.919 -0.535 25439 14002 1 19 . 1 1 93 93 ALA N N 93 117.061 117.061 122.268 -5.207 25439 14003 1 19 . 1 1 93 93 ALA HA H 93 3.930 3.930 3.939 -0.009 25439 14004 1 19 . 1 1 93 93 ALA CA C 93 54.839 54.839 55.480 -0.640 25439 14005 1 19 . 1 1 93 93 ALA CB C 93 18.125 18.125 18.038 0.087 25439 14006 1 19 . 1 1 93 93 ALA H H 93 7.437 7.437 8.402 -0.965 25439 14007 1 19 . 1 1 94 94 LYS N N 94 116.036 116.036 118.629 -2.593 25439 14008 1 19 . 1 1 94 94 LYS HA H 94 3.803 3.803 3.529 0.274 25439 14009 1 19 . 1 1 94 94 LYS CA C 94 56.945 56.945 58.371 -1.426 25439 14010 1 19 . 1 1 94 94 LYS CB C 94 31.047 31.047 31.521 -0.474 25439 14011 1 19 . 1 1 94 94 LYS H H 94 7.012 7.012 7.309 -0.297 25439 14012 1 19 . 1 1 95 95 TRP N N 95 118.700 118.700 116.946 1.754 25439 14013 1 19 . 1 1 95 95 TRP HA H 95 4.814 4.814 4.484 0.330 25439 14014 1 19 . 1 1 95 95 TRP CA C 95 57.136 57.136 59.307 -2.171 25439 14015 1 19 . 1 1 95 95 TRP CB C 95 28.171 28.171 28.883 -0.712 25439 14016 1 19 . 1 1 95 95 TRP H H 95 7.611 7.611 7.379 0.232 25439 14017 1 19 . 1 1 96 96 ARG N N 96 113.031 113.031 116.335 -3.304 25439 14018 1 19 . 1 1 96 96 ARG HA H 96 4.233 4.233 4.224 0.009 25439 14019 1 19 . 1 1 96 96 ARG CA C 96 56.234 56.234 58.206 -1.972 25439 14020 1 19 . 1 1 96 96 ARG CB C 96 30.245 30.245 30.629 -0.384 25439 14021 1 19 . 1 1 96 96 ARG H H 96 7.066 7.066 7.539 -0.473 25439 14022 1 19 . 1 1 97 97 LYS N N 97 123.252 123.252 118.952 4.300 25439 14023 1 19 . 1 1 97 97 LYS HA H 97 4.634 4.634 4.262 0.372 25439 14024 1 19 . 1 1 97 97 LYS CA C 97 54.937 54.937 57.064 -2.127 25439 14025 1 19 . 1 1 97 97 LYS CB C 97 34.166 34.166 32.771 1.395 25439 14026 1 19 . 1 1 97 97 LYS H H 97 8.467 8.467 7.980 0.487 25439 14027 1 19 . 1 1 98 98 THR N N 98 119.993 119.993 115.048 4.945 25439 14028 1 19 . 1 1 98 98 THR HA H 98 4.224 4.224 4.445 -0.221 25439 14029 1 19 . 1 1 98 98 THR CA C 98 64.670 64.670 62.522 2.148 25439 14030 1 19 . 1 1 98 98 THR CB C 98 69.200 69.200 69.281 -0.081 25439 14031 1 19 . 1 1 98 98 THR H H 98 8.329 8.329 8.266 0.063 25439 14032 1 19 . 1 1 99 99 GLY N N 99 116.645 116.645 113.320 3.325 25439 14033 1 19 . 1 1 99 99 GLY CA C 99 45.047 45.047 44.745 0.302 25439 14034 1 19 . 1 1 99 99 GLY H H 99 9.273 9.273 8.731 0.542 25439 14035 1 19 . 1 1 100 100 TYR N N 100 120.784 120.784 119.990 0.794 25439 14036 1 19 . 1 1 100 100 TYR HA H 100 4.704 4.704 4.776 -0.072 25439 14037 1 19 . 1 1 100 100 TYR CA C 100 57.697 57.697 56.751 0.946 25439 14038 1 19 . 1 1 100 100 TYR CB C 100 39.413 39.413 37.526 1.887 25439 14039 1 19 . 1 1 100 100 TYR H H 100 8.457 8.457 7.925 0.532 25439 14040 1 19 . 1 1 101 101 GLU N N 101 119.482 119.482 121.356 -1.874 25439 14041 1 19 . 1 1 101 101 GLU HA H 101 4.601 4.601 4.521 0.080 25439 14042 1 19 . 1 1 101 101 GLU CA C 101 61.207 61.207 57.689 3.518 25439 14043 1 19 . 1 1 101 101 GLU CB C 101 29.648 29.648 30.569 -0.921 25439 14044 1 19 . 1 1 101 101 GLU H H 101 9.836 9.836 8.767 1.069 25439 14045 1 19 . 1 1 102 102 LYS N N 102 115.179 115.179 120.470 -5.291 25439 14046 1 19 . 1 1 102 102 LYS HA H 102 4.295 4.295 4.616 -0.321 25439 14047 1 19 . 1 1 102 102 LYS CA C 102 54.207 54.207 55.523 -1.317 25439 14048 1 19 . 1 1 102 102 LYS CB C 102 32.489 32.489 32.558 -0.069 25439 14049 1 19 . 1 1 102 102 LYS H H 102 8.291 8.291 8.401 -0.110 25439 14050 1 19 . 1 1 103 103 LEU N N 103 119.637 119.637 117.902 1.735 25439 14051 1 19 . 1 1 103 103 LEU HA H 103 4.385 4.385 4.965 -0.580 25439 14052 1 19 . 1 1 103 103 LEU CA C 103 56.549 56.549 53.870 2.679 25439 14053 1 19 . 1 1 103 103 LEU CB C 103 43.864 43.864 44.881 -1.017 25439 14054 1 19 . 1 1 103 103 LEU H H 103 7.642 7.642 7.857 -0.215 25439 14055 1 19 . 1 1 104 104 CYS N N 104 129.651 129.651 115.693 13.958 25439 14056 1 19 . 1 1 104 104 CYS HA H 104 4.498 4.498 5.172 -0.674 25439 14057 1 19 . 1 1 104 104 CYS CA C 104 58.076 58.076 58.550 -0.474 25439 14058 1 19 . 1 1 104 104 CYS CB C 104 32.301 32.301 28.374 3.927 25439 14059 1 19 . 1 1 104 104 CYS H H 104 8.638 8.638 8.825 -0.187 25439 14060 1 19 . 1 1 105 105 CYS N N 105 120.206 120.206 118.407 1.799 25439 14061 1 19 . 1 1 105 105 CYS HA H 105 4.806 4.806 4.802 0.004 25439 14062 1 19 . 1 1 105 105 CYS CA C 105 58.271 58.271 56.952 1.319 25439 14063 1 19 . 1 1 105 105 CYS CB C 105 32.062 32.062 30.160 1.901 25439 14064 1 19 . 1 1 105 105 CYS H H 105 8.158 8.158 8.051 0.107 25439 14065 1 19 . 1 1 106 106 LEU N N 106 115.513 115.513 121.092 -5.579 25439 14066 1 19 . 1 1 106 106 LEU HA H 106 4.054 4.054 4.260 -0.206 25439 14067 1 19 . 1 1 106 106 LEU CA C 106 56.110 56.110 56.618 -0.508 25439 14068 1 19 . 1 1 106 106 LEU CB C 106 41.227 41.227 42.459 -1.232 25439 14069 1 19 . 1 1 106 106 LEU H H 106 8.466 8.466 8.306 0.160 25439 14070 1 19 . 1 1 107 107 ARG N N 107 122.711 122.711 118.754 3.957 25439 14071 1 19 . 1 1 107 107 ARG HA H 107 3.993 3.993 4.273 -0.280 25439 14072 1 19 . 1 1 107 107 ARG CA C 107 58.311 58.311 56.711 1.600 25439 14073 1 19 . 1 1 107 107 ARG CB C 107 28.965 28.965 29.642 -0.677 25439 14074 1 19 . 1 1 107 107 ARG H H 107 8.131 8.131 8.022 0.109 25439 14075 1 19 . 1 1 108 108 CYS N N 108 119.055 119.055 117.943 1.112 25439 14076 1 19 . 1 1 108 108 CYS HA H 108 4.101 4.101 4.723 -0.622 25439 14077 1 19 . 1 1 108 108 CYS CA C 108 63.936 63.936 58.102 5.834 25439 14078 1 19 . 1 1 108 108 CYS CB C 108 30.934 30.934 26.695 4.239 25439 14079 1 19 . 1 1 108 108 CYS H H 108 8.010 8.010 8.269 -0.259 25439 14080 1 19 . 1 1 109 109 ILE N N 109 107.315 107.315 113.469 -6.154 25439 14081 1 19 . 1 1 109 109 ILE HA H 109 4.684 4.684 4.463 0.221 25439 14082 1 19 . 1 1 109 109 ILE CA C 109 60.483 60.483 61.000 -0.517 25439 14083 1 19 . 1 1 109 109 ILE CB C 109 38.320 38.320 38.845 -0.525 25439 14084 1 19 . 1 1 109 109 ILE H H 109 7.105 7.105 7.497 -0.392 25439 14085 1 19 . 1 1 110 110 GLN N N 110 122.468 122.468 119.946 2.522 25439 14086 1 19 . 1 1 110 110 GLN HA H 110 4.268 4.268 4.647 -0.379 25439 14087 1 19 . 1 1 110 110 GLN CA C 110 55.981 55.981 54.718 1.263 25439 14088 1 19 . 1 1 110 110 GLN CB C 110 29.656 29.656 33.134 -3.478 25439 14089 1 19 . 1 1 110 110 GLN H H 110 7.156 7.156 8.017 -0.861 25439 14090 1 19 . 1 1 111 111 LYS N N 111 124.650 124.650 119.510 5.140 25439 14091 1 19 . 1 1 111 111 LYS HA H 111 4.246 4.246 4.840 -0.594 25439 14092 1 19 . 1 1 111 111 LYS CA C 111 56.546 56.546 54.354 2.192 25439 14093 1 19 . 1 1 111 111 LYS CB C 111 32.846 32.846 34.706 -1.860 25439 14094 1 19 . 1 1 111 111 LYS H H 111 8.522 8.522 8.374 0.148 25439 14095 1 19 . 1 1 112 112 ASN N N 112 120.972 120.972 118.203 2.769 25439 14096 1 19 . 1 1 112 112 ASN HA H 112 4.778 4.778 5.038 -0.260 25439 14097 1 19 . 1 1 112 112 ASN CA C 112 52.902 52.902 52.310 0.592 25439 14098 1 19 . 1 1 112 112 ASN CB C 112 39.328 39.328 40.574 -1.246 25439 14099 1 19 . 1 1 112 112 ASN H H 112 8.360 8.360 8.500 -0.140 25439 14100 1 19 . 1 1 113 113 GLU N N 113 121.710 121.710 119.609 2.101 25439 14101 1 19 . 1 1 113 113 GLU HA H 113 4.248 4.248 4.590 -0.342 25439 14102 1 19 . 1 1 113 113 GLU CA C 113 58.611 58.611 55.640 2.971 25439 14103 1 19 . 1 1 113 113 GLU CB C 113 29.590 29.590 31.793 -2.203 25439 14104 1 19 . 1 1 113 113 GLU H H 113 9.023 9.023 8.598 0.425 25439 14105 1 19 . 1 1 114 114 THR N N 114 112.186 112.186 117.698 -5.512 25439 14106 1 19 . 1 1 114 114 THR HA H 114 4.321 4.321 3.876 0.445 25439 14107 1 19 . 1 1 114 114 THR CA C 114 63.161 63.161 64.461 -1.300 25439 14108 1 19 . 1 1 114 114 THR CB C 114 69.481 69.481 68.039 1.442 25439 14109 1 19 . 1 1 114 114 THR H H 114 8.112 8.112 8.756 -0.644 25439 14110 1 19 . 1 1 115 115 ASN N N 115 119.112 119.112 120.019 -0.907 25439 14111 1 19 . 1 1 115 115 ASN HA H 115 4.829 4.829 4.835 -0.006 25439 14112 1 19 . 1 1 115 115 ASN CA C 115 53.110 53.110 52.920 0.190 25439 14113 1 19 . 1 1 115 115 ASN CB C 115 38.659 38.659 40.391 -1.732 25439 14114 1 19 . 1 1 115 115 ASN H H 115 8.047 8.047 8.419 -0.372 25439 14115 1 19 . 1 1 116 116 ASN N N 116 117.175 117.175 116.584 0.591 25439 14116 1 19 . 1 1 116 116 ASN HA H 116 4.615 4.615 4.398 0.217 25439 14117 1 19 . 1 1 116 116 ASN CA C 116 53.965 53.965 53.687 0.278 25439 14118 1 19 . 1 1 116 116 ASN CB C 116 38.173 38.173 38.043 0.130 25439 14119 1 19 . 1 1 116 116 ASN H H 116 8.364 8.364 8.633 -0.269 25439 14120 1 19 . 1 1 117 117 GLY N N 117 107.294 107.294 106.596 0.698 25439 14121 1 19 . 1 1 117 117 GLY CA C 117 45.882 45.882 44.865 1.017 25439 14122 1 19 . 1 1 117 117 GLY H H 117 8.264 8.264 8.087 0.177 25439 14123 1 19 . 1 1 118 118 SER N N 118 115.475 115.475 119.648 -4.173 25439 14124 1 19 . 1 1 118 118 SER HA H 118 4.586 4.586 4.666 -0.080 25439 14125 1 19 . 1 1 118 118 SER CA C 118 57.974 57.974 58.341 -0.367 25439 14126 1 19 . 1 1 118 118 SER CB C 118 64.479 64.479 64.830 -0.351 25439 14127 1 19 . 1 1 118 118 SER H H 118 7.905 7.905 8.461 -0.556 25439 14128 1 19 . 1 1 119 119 THR N N 119 111.360 111.360 116.471 -5.111 25439 14129 1 19 . 1 1 119 119 THR HA H 119 4.450 4.450 4.783 -0.333 25439 14130 1 19 . 1 1 119 119 THR CA C 119 61.215 61.215 60.759 0.456 25439 14131 1 19 . 1 1 119 119 THR CB C 119 70.569 70.569 71.728 -1.159 25439 14132 1 19 . 1 1 119 119 THR H H 119 8.044 8.044 7.805 0.239 25439 14133 1 19 . 1 1 120 120 CYS N N 120 122.708 122.708 121.211 1.497 25439 14134 1 19 . 1 1 120 120 CYS HA H 120 4.255 4.255 4.753 -0.498 25439 14135 1 19 . 1 1 120 120 CYS CA C 120 61.469 61.469 57.562 3.906 25439 14136 1 19 . 1 1 120 120 CYS CB C 120 30.892 30.892 29.225 1.667 25439 14137 1 19 . 1 1 120 120 CYS H H 120 8.045 8.045 8.552 -0.507 25439 14138 1 19 . 1 1 121 121 ILE N N 121 132.463 132.463 123.767 8.696 25439 14139 1 19 . 1 1 121 121 ILE HA H 121 4.025 4.025 3.825 0.200 25439 14140 1 19 . 1 1 121 121 ILE CA C 121 63.353 63.353 63.113 0.240 25439 14141 1 19 . 1 1 121 121 ILE CB C 121 38.222 38.222 37.642 0.580 25439 14142 1 19 . 1 1 121 121 ILE H H 121 8.237 8.237 8.383 -0.146 25439 14143 1 19 . 1 1 122 122 CYS N N 122 123.931 123.931 117.977 5.954 25439 14144 1 19 . 1 1 122 122 CYS HA H 122 4.233 4.233 4.144 0.089 25439 14145 1 19 . 1 1 122 122 CYS CA C 122 60.230 60.230 60.328 -0.098 25439 14146 1 19 . 1 1 122 122 CYS CB C 122 30.602 30.602 25.877 4.725 25439 14147 1 19 . 1 1 122 122 CYS H H 122 9.355 9.355 7.563 1.792 25439 14148 1 19 . 1 1 123 123 ARG N N 123 119.561 119.561 121.198 -1.637 25439 14149 1 19 . 1 1 123 123 ARG HA H 123 4.150 4.150 4.308 -0.158 25439 14150 1 19 . 1 1 123 123 ARG CA C 123 53.177 53.177 57.633 -4.457 25439 14151 1 19 . 1 1 123 123 ARG CB C 123 27.961 27.961 30.147 -2.186 25439 14152 1 19 . 1 1 123 123 ARG H H 123 7.677 7.677 7.556 0.121 25439 14153 1 19 . 1 1 124 124 VAL N N 124 122.794 122.794 121.609 1.185 25439 14154 1 19 . 1 1 124 124 VAL HA H 124 4.081 4.081 4.477 -0.396 25439 14155 1 19 . 1 1 124 124 VAL CA C 124 60.647 60.647 60.612 0.035 25439 14156 1 19 . 1 1 124 124 VAL CB C 124 32.857 32.857 31.542 1.315 25439 14157 1 19 . 1 1 124 124 VAL H H 124 7.578 7.578 7.569 0.009 25439 14158 1 19 . 1 1 125 125 PRO HA H 125 4.263 4.263 4.531 -0.268 25439 14159 1 19 . 1 1 125 125 PRO CA C 125 63.268 63.268 62.276 0.992 25439 14160 1 19 . 1 1 125 125 PRO CB C 125 32.379 32.379 32.806 -0.427 25439 14161 1 19 . 1 1 126 126 ARG N N 126 128.350 128.350 120.831 7.519 25439 14162 1 19 . 1 1 126 126 ARG HA H 126 3.912 3.912 4.023 -0.111 25439 14163 1 19 . 1 1 126 126 ARG CA C 126 59.653 59.653 59.097 0.556 25439 14164 1 19 . 1 1 126 126 ARG CB C 126 29.339 29.339 29.446 -0.107 25439 14165 1 19 . 1 1 126 126 ARG H H 126 9.534 9.534 8.721 0.813 25439 14166 1 19 . 1 1 127 127 ALA N N 127 119.169 119.169 122.130 -2.961 25439 14167 1 19 . 1 1 127 127 ALA HA H 127 4.192 4.192 4.049 0.143 25439 14168 1 19 . 1 1 127 127 ALA CA C 127 55.227 55.227 55.159 0.068 25439 14169 1 19 . 1 1 127 127 ALA CB C 127 18.363 18.363 17.876 0.487 25439 14170 1 19 . 1 1 127 127 ALA H H 127 9.263 9.263 8.542 0.721 25439 14171 1 19 . 1 1 128 128 GLN N N 128 117.345 117.345 118.280 -0.935 25439 14172 1 19 . 1 1 128 128 GLN HA H 128 4.209 4.209 4.163 0.046 25439 14173 1 19 . 1 1 128 128 GLN CA C 128 58.506 58.506 58.525 -0.019 25439 14174 1 19 . 1 1 128 128 GLN CB C 128 28.220 28.220 28.121 0.099 25439 14175 1 19 . 1 1 128 128 GLN H H 128 7.448 7.448 8.434 -0.986 25439 14176 1 19 . 1 1 129 129 LEU N N 129 120.561 120.561 120.548 0.013 25439 14177 1 19 . 1 1 129 129 LEU HA H 129 4.088 4.088 3.948 0.140 25439 14178 1 19 . 1 1 129 129 LEU CA C 129 57.952 57.952 58.063 -0.111 25439 14179 1 19 . 1 1 129 129 LEU CB C 129 41.817 41.817 41.836 -0.019 25439 14180 1 19 . 1 1 129 129 LEU H H 129 7.622 7.622 7.549 0.073 25439 14181 1 19 . 1 1 130 130 GLU N N 130 119.122 119.122 118.751 0.371 25439 14182 1 19 . 1 1 130 130 GLU HA H 130 3.956 3.956 3.991 -0.035 25439 14183 1 19 . 1 1 130 130 GLU CA C 130 59.353 59.353 59.828 -0.475 25439 14184 1 19 . 1 1 130 130 GLU CB C 130 29.337 29.337 29.362 -0.025 25439 14185 1 19 . 1 1 130 130 GLU H H 130 8.656 8.656 8.642 0.014 25439 14186 1 19 . 1 1 131 131 GLU N N 131 121.469 121.469 119.868 1.601 25439 14187 1 19 . 1 1 131 131 GLU HA H 131 4.163 4.163 4.041 0.122 25439 14188 1 19 . 1 1 131 131 GLU CA C 131 59.288 59.288 59.484 -0.196 25439 14189 1 19 . 1 1 131 131 GLU CB C 131 29.422 29.422 29.509 -0.087 25439 14190 1 19 . 1 1 131 131 GLU H H 131 7.922 7.922 8.018 -0.096 25439 14191 1 19 . 1 1 132 132 GLU N N 132 119.241 119.241 118.907 0.334 25439 14192 1 19 . 1 1 132 132 GLU HA H 132 3.998 3.998 4.014 -0.016 25439 14193 1 19 . 1 1 132 132 GLU CA C 132 59.327 59.327 59.316 0.011 25439 14194 1 19 . 1 1 132 132 GLU CB C 132 29.421 29.421 29.508 -0.087 25439 14195 1 19 . 1 1 132 132 GLU H H 132 8.099 8.099 7.811 0.288 25439 14196 1 19 . 1 1 133 133 ALA N N 133 121.302 121.302 121.508 -0.206 25439 14197 1 19 . 1 1 133 133 ALA HA H 133 4.053 4.053 4.063 -0.010 25439 14198 1 19 . 1 1 133 133 ALA CA C 133 54.973 54.973 55.065 -0.092 25439 14199 1 19 . 1 1 133 133 ALA CB C 133 18.154 18.154 18.381 -0.227 25439 14200 1 19 . 1 1 133 133 ALA H H 133 7.795 7.795 7.715 0.080 25439 14201 1 19 . 1 1 134 134 ARG N N 134 118.757 118.757 118.821 -0.064 25439 14202 1 19 . 1 1 134 134 ARG HA H 134 4.143 4.143 4.059 0.084 25439 14203 1 19 . 1 1 134 134 ARG CA C 134 59.438 59.438 59.011 0.427 25439 14204 1 19 . 1 1 134 134 ARG CB C 134 30.148 30.148 30.055 0.093 25439 14205 1 19 . 1 1 134 134 ARG H H 134 8.145 8.145 7.811 0.334 25439 14206 1 19 . 1 1 135 135 LYS N N 135 119.496 119.496 119.982 -0.486 25439 14207 1 19 . 1 1 135 135 LYS HA H 135 4.073 4.073 4.130 -0.057 25439 14208 1 19 . 1 1 135 135 LYS CA C 135 59.327 59.327 58.761 0.566 25439 14209 1 19 . 1 1 135 135 LYS CB C 135 32.539 32.539 32.396 0.143 25439 14210 1 19 . 1 1 135 135 LYS H H 135 8.036 8.036 7.602 0.434 25439 14211 1 19 . 1 1 136 136 LYS N N 136 116.645 116.645 117.087 -0.442 25439 14212 1 19 . 1 1 136 136 LYS HA H 136 4.362 4.362 4.497 -0.135 25439 14213 1 19 . 1 1 136 136 LYS CA C 136 56.575 56.575 55.018 1.557 25439 14214 1 19 . 1 1 136 136 LYS CB C 136 33.629 33.629 32.182 1.447 25439 14215 1 19 . 1 1 136 136 LYS H H 136 7.682 7.682 7.428 0.254 25439 14216 1 19 . 1 1 137 137 GLY N N 137 109.349 109.349 108.741 0.608 25439 14217 1 19 . 1 1 137 137 GLY CA C 137 46.358 46.358 46.273 0.085 25439 14218 1 19 . 1 1 137 137 GLY H H 137 8.064 8.064 7.607 0.457 25439 14219 1 19 . 1 1 138 138 THR N N 138 112.870 112.870 113.586 -0.716 25439 14220 1 19 . 1 1 138 138 THR HA H 138 4.735 4.735 4.628 0.107 25439 14221 1 19 . 1 1 138 138 THR CA C 138 59.308 59.308 60.649 -1.341 25439 14222 1 19 . 1 1 138 138 THR CB C 138 70.755 70.755 70.638 0.117 25439 14223 1 19 . 1 1 138 138 THR H H 138 8.111 8.111 8.187 -0.076 25439 14224 1 19 . 1 1 139 139 GLN N N 139 118.177 118.177 119.927 -1.750 25439 14225 1 19 . 1 1 139 139 GLN HA H 139 4.609 4.609 4.623 -0.014 25439 14226 1 19 . 1 1 139 139 GLN CA C 139 54.435 54.435 54.907 -0.472 25439 14227 1 19 . 1 1 139 139 GLN CB C 139 30.777 30.777 31.447 -0.670 25439 14228 1 19 . 1 1 139 139 GLN H H 139 8.227 8.227 8.447 -0.220 25439 14229 1 19 . 1 1 140 140 VAL N N 140 123.601 123.601 122.318 1.283 25439 14230 1 19 . 1 1 140 140 VAL HA H 140 3.790 3.790 4.597 -0.807 25439 14231 1 19 . 1 1 140 140 VAL CA C 140 63.934 63.934 60.816 3.118 25439 14232 1 19 . 1 1 140 140 VAL CB C 140 32.154 32.154 33.864 -1.710 25439 14233 1 19 . 1 1 140 140 VAL H H 140 8.839 8.839 8.630 0.209 25439 14234 1 19 . 1 1 141 141 SER HA H 141 4.524 4.524 4.682 -0.158 25439 14235 1 19 . 1 1 141 141 SER CA C 141 57.841 57.841 58.010 -0.169 25439 14236 1 19 . 1 1 141 141 SER CB C 141 64.174 64.174 63.597 0.577 25439 14237 1 19 . 1 1 142 142 PHE N N 142 123.726 123.726 124.831 -1.105 25439 14238 1 19 . 1 1 142 142 PHE HA H 142 4.458 4.458 4.801 -0.343 25439 14239 1 19 . 1 1 142 142 PHE CA C 142 58.673 58.673 58.237 0.436 25439 14240 1 19 . 1 1 142 142 PHE CB C 142 40.055 40.055 40.325 -0.270 25439 14241 1 19 . 1 1 142 142 PHE H H 142 7.534 7.534 8.286 -0.752 25439 14242 1 19 . 1 1 143 143 HIS N N 143 126.548 126.548 118.858 7.690 25439 14243 1 19 . 1 1 143 143 HIS HA H 143 4.336 4.336 4.334 0.002 25439 14244 1 19 . 1 1 143 143 HIS CA C 143 56.837 56.837 56.037 0.800 25439 14245 1 19 . 1 1 143 143 HIS CB C 143 31.949 31.949 31.767 0.182 25439 14246 1 19 . 1 1 143 143 HIS H H 143 8.308 8.308 7.295 1.013 25439 14247 1 19 . 1 1 144 144 GLN N N 144 115.094 115.094 116.153 -1.059 25439 14248 1 19 . 1 1 144 144 GLN HA H 144 4.433 4.433 4.445 -0.012 25439 14249 1 19 . 1 1 144 144 GLN CA C 144 54.210 54.210 53.192 1.018 25439 14250 1 19 . 1 1 144 144 GLN CB C 144 32.925 32.925 32.051 0.874 25439 14251 1 19 . 1 1 144 144 GLN H H 144 7.203 7.203 7.006 0.197 25439 14252 1 19 . 1 1 145 145 CYS N N 145 123.088 123.088 118.039 5.049 25439 14253 1 19 . 1 1 145 145 CYS HA H 145 4.961 4.961 5.076 -0.115 25439 14254 1 19 . 1 1 145 145 CYS CA C 145 57.978 57.978 57.083 0.895 25439 14255 1 19 . 1 1 145 145 CYS CB C 145 33.555 33.555 29.872 3.683 25439 14256 1 19 . 1 1 145 145 CYS H H 145 8.668 8.668 8.489 0.179 25439 14257 1 19 . 1 1 146 146 VAL N N 146 113.265 113.265 120.988 -7.723 25439 14258 1 19 . 1 1 146 146 VAL HA H 146 4.238 4.238 4.218 0.020 25439 14259 1 19 . 1 1 146 146 VAL CA C 146 64.001 64.001 64.945 -0.944 25439 14260 1 19 . 1 1 146 146 VAL CB C 146 32.157 32.157 32.514 -0.357 25439 14261 1 19 . 1 1 146 146 VAL H H 146 8.198 8.198 8.459 -0.261 25439 14262 1 19 . 1 1 147 147 HIS N N 147 120.556 120.556 118.379 2.177 25439 14263 1 19 . 1 1 147 147 HIS HA H 147 4.604 4.604 4.327 0.277 25439 14264 1 19 . 1 1 147 147 HIS CA C 147 58.708 58.708 58.079 0.629 25439 14265 1 19 . 1 1 147 147 HIS CB C 147 32.204 32.204 29.189 3.014 25439 14266 1 19 . 1 1 147 147 HIS H H 147 7.151 7.151 8.365 -1.214 25439 14267 1 19 . 1 1 148 148 CYS N N 148 112.110 112.110 112.205 -0.095 25439 14268 1 19 . 1 1 148 148 CYS HA H 148 4.889 4.889 4.832 0.057 25439 14269 1 19 . 1 1 148 148 CYS CA C 148 57.952 57.952 55.589 2.363 25439 14270 1 19 . 1 1 148 148 CYS CB C 148 32.956 32.956 30.222 2.734 25439 14271 1 19 . 1 1 148 148 CYS H H 148 7.413 7.413 7.286 0.127 25439 14272 1 19 . 1 1 149 149 GLY N N 149 112.797 112.797 108.247 4.550 25439 14273 1 19 . 1 1 149 149 GLY CA C 149 45.327 45.327 44.333 0.994 25439 14274 1 19 . 1 1 149 149 GLY H H 149 6.949 6.949 8.275 -1.326 25439 14275 1 19 . 1 1 150 150 CYS N N 150 127.277 127.277 120.038 7.239 25439 14276 1 19 . 1 1 150 150 CYS HA H 150 3.932 3.932 4.568 -0.636 25439 14277 1 19 . 1 1 150 150 CYS CA C 150 61.362 61.362 56.996 4.366 25439 14278 1 19 . 1 1 150 150 CYS CB C 150 30.632 30.632 29.863 0.769 25439 14279 1 19 . 1 1 150 150 CYS H H 150 8.240 8.240 7.130 1.110 25439 14280 1 19 . 1 1 151 151 ARG N N 151 125.476 125.476 126.549 -1.073 25439 14281 1 19 . 1 1 151 151 ARG HA H 151 4.775 4.775 4.308 0.467 25439 14282 1 19 . 1 1 151 151 ARG CA C 151 56.164 56.164 55.300 0.864 25439 14283 1 19 . 1 1 151 151 ARG CB C 151 30.354 30.354 29.711 0.643 25439 14284 1 19 . 1 1 151 151 ARG H H 151 8.492 8.492 8.628 -0.136 25439 14285 1 19 . 1 1 152 152 GLY N N 152 117.275 117.275 108.398 8.877 25439 14286 1 19 . 1 1 152 152 GLY CA C 152 45.523 45.523 45.160 0.363 25439 14287 1 19 . 1 1 152 152 GLY H H 152 9.812 9.812 7.854 1.958 25439 14288 1 19 . 1 1 153 153 CYS N N 153 126.187 126.187 118.688 7.499 25439 14289 1 19 . 1 1 153 153 CYS HA H 153 4.842 4.842 4.819 0.023 25439 14290 1 19 . 1 1 153 153 CYS CA C 153 57.130 57.130 55.799 1.331 25439 14291 1 19 . 1 1 153 153 CYS CB C 153 31.368 31.368 28.241 3.127 25439 14292 1 19 . 1 1 153 153 CYS H H 153 8.930 8.930 8.215 0.715 25439 14293 1 19 . 1 1 154 154 ALA N N 154 125.869 125.869 126.180 -0.311 25439 14294 1 19 . 1 1 154 154 ALA HA H 154 4.159 4.159 4.884 -0.725 25439 14295 1 19 . 1 1 154 154 ALA CA C 154 53.187 53.187 51.974 1.214 25439 14296 1 19 . 1 1 154 154 ALA CB C 154 18.937 18.937 21.488 -2.551 25439 14297 1 19 . 1 1 154 154 ALA H H 154 8.616 8.616 8.283 0.333 25439 14298 1 19 . 1 1 155 155 SER N N 155 116.724 116.724 116.718 0.006 25439 14299 1 19 . 1 1 155 155 SER HA H 155 4.283 4.283 4.563 -0.280 25439 14300 1 19 . 1 1 155 155 SER CA C 155 60.136 60.136 59.564 0.572 25439 14301 1 19 . 1 1 155 155 SER CB C 155 63.575 63.575 64.356 -0.781 25439 14302 1 19 . 1 1 155 155 SER H H 155 9.358 9.358 9.007 0.351 25439 14303 1 19 . 1 1 156 156 THR N N 156 111.893 111.893 112.009 -0.116 25439 14304 1 19 . 1 1 156 156 THR HA H 156 4.358 4.358 4.501 -0.143 25439 14305 1 19 . 1 1 156 156 THR CA C 156 61.264 61.264 62.391 -1.127 25439 14306 1 19 . 1 1 156 156 THR CB C 156 69.999 69.999 69.097 0.902 25439 14307 1 19 . 1 1 156 156 THR H H 156 7.638 7.638 7.947 -0.309 25439 14308 1 20 . 1 1 0 0 GLY CA C 0 43.750 43.750 45.091 -1.341 25439 14309 1 20 . 1 1 1 1 SER N N 1 117.201 117.201 118.443 -1.242 25439 14310 1 20 . 1 1 1 1 SER HA H 1 4.809 4.809 4.666 0.143 25439 14311 1 20 . 1 1 1 1 SER CA C 1 56.525 56.525 56.102 0.423 25439 14312 1 20 . 1 1 1 1 SER CB C 1 63.385 63.385 64.370 -0.985 25439 14313 1 20 . 1 1 1 1 SER H H 1 8.381 8.381 8.255 0.126 25439 14314 1 20 . 1 1 2 2 PRO HA H 2 4.468 4.468 4.538 -0.070 25439 14315 1 20 . 1 1 2 2 PRO CA C 2 63.292 63.292 63.203 0.090 25439 14316 1 20 . 1 1 2 2 PRO CB C 2 32.174 32.174 32.168 0.006 25439 14317 1 20 . 1 1 3 3 ARG N N 3 121.649 121.649 124.512 -2.863 25439 14318 1 20 . 1 1 3 3 ARG HA H 3 4.324 4.324 4.591 -0.267 25439 14319 1 20 . 1 1 3 3 ARG CA C 3 56.226 56.226 55.779 0.447 25439 14320 1 20 . 1 1 3 3 ARG CB C 3 30.732 30.732 30.556 0.176 25439 14321 1 20 . 1 1 3 3 ARG H H 3 8.428 8.428 8.541 -0.113 25439 14322 1 20 . 1 1 4 4 ILE N N 4 122.500 122.500 121.026 1.474 25439 14323 1 20 . 1 1 4 4 ILE HA H 4 4.181 4.181 4.389 -0.208 25439 14324 1 20 . 1 1 4 4 ILE CA C 4 60.943 60.943 60.897 0.046 25439 14325 1 20 . 1 1 4 4 ILE CB C 4 38.751 38.751 39.690 -0.939 25439 14326 1 20 . 1 1 4 4 ILE H H 4 8.165 8.165 7.867 0.298 25439 14327 1 20 . 1 1 5 5 LYS N N 5 126.237 126.237 125.873 0.364 25439 14328 1 20 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.612 -0.210 25439 14329 1 20 . 1 1 5 5 LYS CA C 5 56.422 56.422 55.880 0.542 25439 14330 1 20 . 1 1 5 5 LYS CB C 5 33.130 33.130 34.377 -1.247 25439 14331 1 20 . 1 1 5 5 LYS H H 5 8.500 8.500 8.396 0.104 25439 14332 1 20 . 1 1 6 6 THR N N 6 116.495 116.495 116.361 0.134 25439 14333 1 20 . 1 1 6 6 THR HA H 6 4.323 4.323 4.501 -0.178 25439 14334 1 20 . 1 1 6 6 THR CA C 6 61.918 61.918 61.765 0.153 25439 14335 1 20 . 1 1 6 6 THR CB C 6 69.963 69.963 70.113 -0.150 25439 14336 1 20 . 1 1 6 6 THR H H 6 8.194 8.194 8.359 -0.165 25439 14337 1 20 . 1 1 7 7 ARG N N 7 124.128 124.128 124.644 -0.516 25439 14338 1 20 . 1 1 7 7 ARG HA H 7 4.396 4.396 4.626 -0.230 25439 14339 1 20 . 1 1 7 7 ARG CA C 7 56.128 56.128 56.010 0.118 25439 14340 1 20 . 1 1 7 7 ARG CB C 7 30.953 30.953 31.122 -0.169 25439 14341 1 20 . 1 1 7 7 ARG H H 7 8.458 8.458 8.703 -0.245 25439 14342 1 20 . 1 1 8 8 ARG N N 8 123.384 123.384 122.736 0.648 25439 14343 1 20 . 1 1 8 8 ARG HA H 8 4.424 4.424 4.421 0.003 25439 14344 1 20 . 1 1 8 8 ARG CA C 8 56.011 56.011 56.364 -0.352 25439 14345 1 20 . 1 1 8 8 ARG CB C 8 31.058 31.058 31.199 -0.141 25439 14346 1 20 . 1 1 8 8 ARG H H 8 8.526 8.526 8.877 -0.351 25439 14347 1 20 . 1 1 9 9 SER N N 9 118.446 118.446 113.511 4.935 25439 14348 1 20 . 1 1 9 9 SER HA H 9 4.473 4.473 4.605 -0.132 25439 14349 1 20 . 1 1 9 9 SER CA C 9 58.568 58.568 57.763 0.805 25439 14350 1 20 . 1 1 9 9 SER CB C 9 63.986 63.986 64.001 -0.016 25439 14351 1 20 . 1 1 9 9 SER H H 9 8.450 8.450 8.097 0.353 25439 14352 1 20 . 1 1 10 10 LYS N N 10 124.117 124.117 123.417 0.700 25439 14353 1 20 . 1 1 10 10 LYS HA H 10 4.673 4.673 4.685 -0.012 25439 14354 1 20 . 1 1 10 10 LYS CA C 10 54.412 54.412 53.667 0.744 25439 14355 1 20 . 1 1 10 10 LYS CB C 10 32.693 32.693 33.171 -0.478 25439 14356 1 20 . 1 1 10 10 LYS H H 10 8.426 8.426 8.466 -0.040 25439 14357 1 20 . 1 1 11 11 PRO HA H 11 4.360 4.360 4.484 -0.124 25439 14358 1 20 . 1 1 11 11 PRO CA C 11 62.861 62.861 62.269 0.592 25439 14359 1 20 . 1 1 11 11 PRO CB C 11 32.106 32.106 32.723 -0.617 25439 14360 1 20 . 1 1 12 12 ALA N N 12 124.420 124.420 122.860 1.560 25439 14361 1 20 . 1 1 12 12 ALA HA H 12 2.889 2.889 3.116 -0.227 25439 14362 1 20 . 1 1 12 12 ALA CA C 12 49.735 49.735 49.836 -0.101 25439 14363 1 20 . 1 1 12 12 ALA CB C 12 18.066 18.066 17.025 1.041 25439 14364 1 20 . 1 1 12 12 ALA H H 12 7.890 7.890 7.670 0.220 25439 14365 1 20 . 1 1 13 13 PRO HA H 13 4.207 4.207 4.425 -0.218 25439 14366 1 20 . 1 1 13 13 PRO CA C 13 62.111 62.111 61.864 0.247 25439 14367 1 20 . 1 1 13 13 PRO CB C 13 32.582 32.582 32.358 0.224 25439 14368 1 20 . 1 1 14 14 ASP N N 14 119.535 119.535 120.595 -1.060 25439 14369 1 20 . 1 1 14 14 ASP HA H 14 4.379 4.379 4.289 0.090 25439 14370 1 20 . 1 1 14 14 ASP CA C 14 56.427 56.427 58.011 -1.584 25439 14371 1 20 . 1 1 14 14 ASP CB C 14 41.177 41.177 40.433 0.744 25439 14372 1 20 . 1 1 14 14 ASP H H 14 8.206 8.206 8.694 -0.488 25439 14373 1 20 . 1 1 15 15 GLY N N 15 113.273 113.273 108.368 4.905 25439 14374 1 20 . 1 1 15 15 GLY CA C 15 45.146 45.146 46.843 -1.697 25439 14375 1 20 . 1 1 15 15 GLY H H 15 8.723 8.723 8.526 0.197 25439 14376 1 20 . 1 1 16 16 PHE N N 16 123.113 123.113 122.657 0.456 25439 14377 1 20 . 1 1 16 16 PHE HA H 16 4.125 4.125 4.264 -0.139 25439 14378 1 20 . 1 1 16 16 PHE CA C 16 60.715 60.715 59.479 1.236 25439 14379 1 20 . 1 1 16 16 PHE CB C 16 39.639 39.639 39.111 0.528 25439 14380 1 20 . 1 1 16 16 PHE H H 16 8.127 8.127 8.305 -0.178 25439 14381 1 20 . 1 1 17 17 GLU N N 17 115.695 115.695 119.440 -3.745 25439 14382 1 20 . 1 1 17 17 GLU HA H 17 3.768 3.768 3.824 -0.056 25439 14383 1 20 . 1 1 17 17 GLU CA C 17 59.234 59.234 59.371 -0.137 25439 14384 1 20 . 1 1 17 17 GLU CB C 17 28.495 28.495 29.365 -0.870 25439 14385 1 20 . 1 1 17 17 GLU H H 17 9.088 9.088 8.158 0.930 25439 14386 1 20 . 1 1 18 18 LYS N N 18 115.887 115.887 117.528 -1.641 25439 14387 1 20 . 1 1 18 18 LYS HA H 18 4.165 4.165 4.077 0.088 25439 14388 1 20 . 1 1 18 18 LYS CA C 18 58.249 58.249 58.633 -0.384 25439 14389 1 20 . 1 1 18 18 LYS CB C 18 32.725 32.725 32.913 -0.188 25439 14390 1 20 . 1 1 18 18 LYS H H 18 7.285 7.285 7.806 -0.521 25439 14391 1 20 . 1 1 19 19 ILE N N 19 110.277 110.277 110.395 -0.118 25439 14392 1 20 . 1 1 19 19 ILE HA H 19 4.722 4.722 4.693 0.029 25439 14393 1 20 . 1 1 19 19 ILE CA C 19 61.093 61.093 59.866 1.227 25439 14394 1 20 . 1 1 19 19 ILE CB C 19 39.139 39.139 38.353 0.785 25439 14395 1 20 . 1 1 19 19 ILE H H 19 7.031 7.031 7.514 -0.483 25439 14396 1 20 . 1 1 20 20 LYS N N 20 124.540 124.540 122.601 1.939 25439 14397 1 20 . 1 1 20 20 LYS HA H 20 3.603 3.603 3.551 0.052 25439 14398 1 20 . 1 1 20 20 LYS CA C 20 60.917 60.917 59.322 1.595 25439 14399 1 20 . 1 1 20 20 LYS CB C 20 30.210 30.210 30.500 -0.290 25439 14400 1 20 . 1 1 20 20 LYS H H 20 7.666 7.666 7.263 0.403 25439 14401 1 20 . 1 1 21 21 PRO HA H 21 4.292 4.292 4.509 -0.217 25439 14402 1 20 . 1 1 21 21 PRO CA C 21 66.990 66.990 65.135 1.855 25439 14403 1 20 . 1 1 21 21 PRO CB C 21 30.779 30.779 31.421 -0.642 25439 14404 1 20 . 1 1 22 22 THR N N 22 114.917 114.917 115.195 -0.278 25439 14405 1 20 . 1 1 22 22 THR HA H 22 3.866 3.866 4.084 -0.218 25439 14406 1 20 . 1 1 22 22 THR CA C 22 66.575 66.575 66.973 -0.398 25439 14407 1 20 . 1 1 22 22 THR CB C 22 68.731 68.731 68.402 0.329 25439 14408 1 20 . 1 1 22 22 THR H H 22 7.331 7.331 8.328 -0.997 25439 14409 1 20 . 1 1 23 23 LEU N N 23 120.152 120.152 120.748 -0.596 25439 14410 1 20 . 1 1 23 23 LEU HA H 23 4.397 4.397 3.892 0.505 25439 14411 1 20 . 1 1 23 23 LEU CA C 23 58.740 58.740 57.939 0.801 25439 14412 1 20 . 1 1 23 23 LEU CB C 23 40.489 40.489 41.629 -1.140 25439 14413 1 20 . 1 1 23 23 LEU H H 23 7.991 7.991 7.686 0.305 25439 14414 1 20 . 1 1 24 24 THR N N 24 119.365 119.365 113.913 5.452 25439 14415 1 20 . 1 1 24 24 THR HA H 24 4.095 4.095 3.930 0.165 25439 14416 1 20 . 1 1 24 24 THR CA C 24 66.834 66.834 67.056 -0.222 25439 14417 1 20 . 1 1 24 24 THR CB C 24 68.614 68.614 68.442 0.172 25439 14418 1 20 . 1 1 24 24 THR H H 24 9.175 9.175 7.482 1.693 25439 14419 1 20 . 1 1 25 25 ASP N N 25 122.865 122.865 121.319 1.546 25439 14420 1 20 . 1 1 25 25 ASP HA H 25 4.483 4.483 4.366 0.117 25439 14421 1 20 . 1 1 25 25 ASP CA C 25 58.158 58.158 57.137 1.021 25439 14422 1 20 . 1 1 25 25 ASP CB C 25 40.329 40.329 40.744 -0.415 25439 14423 1 20 . 1 1 25 25 ASP H H 25 7.714 7.714 7.698 0.016 25439 14424 1 20 . 1 1 26 26 PHE N N 26 116.182 116.182 119.191 -3.009 25439 14425 1 20 . 1 1 26 26 PHE HA H 26 4.457 4.457 4.129 0.328 25439 14426 1 20 . 1 1 26 26 PHE CA C 26 62.531 62.531 61.833 0.698 25439 14427 1 20 . 1 1 26 26 PHE CB C 26 39.468 39.468 38.824 0.644 25439 14428 1 20 . 1 1 26 26 PHE H H 26 7.816 7.816 7.856 -0.040 25439 14429 1 20 . 1 1 27 27 GLU N N 27 120.107 120.107 118.490 1.617 25439 14430 1 20 . 1 1 27 27 GLU HA H 27 4.113 4.113 4.048 0.065 25439 14431 1 20 . 1 1 27 27 GLU CA C 27 59.852 59.852 59.546 0.306 25439 14432 1 20 . 1 1 27 27 GLU CB C 27 29.692 29.692 29.061 0.631 25439 14433 1 20 . 1 1 27 27 GLU H H 27 8.068 8.068 7.919 0.149 25439 14434 1 20 . 1 1 28 28 ILE N N 28 121.494 121.494 118.873 2.621 25439 14435 1 20 . 1 1 28 28 ILE HA H 28 3.718 3.718 3.871 -0.153 25439 14436 1 20 . 1 1 28 28 ILE CA C 28 65.002 65.002 64.738 0.264 25439 14437 1 20 . 1 1 28 28 ILE CB C 28 38.023 38.023 38.301 -0.278 25439 14438 1 20 . 1 1 28 28 ILE H H 28 8.531 8.531 7.727 0.804 25439 14439 1 20 . 1 1 29 29 GLN N N 29 118.941 118.941 120.135 -1.194 25439 14440 1 20 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.133 0.047 25439 14441 1 20 . 1 1 29 29 GLN CA C 29 59.507 59.507 58.868 0.639 25439 14442 1 20 . 1 1 29 29 GLN CB C 29 29.783 29.783 28.692 1.091 25439 14443 1 20 . 1 1 29 29 GLN H H 29 8.117 8.117 7.492 0.625 25439 14444 1 20 . 1 1 30 30 LEU N N 30 121.724 121.724 120.304 1.420 25439 14445 1 20 . 1 1 30 30 LEU HA H 30 4.032 4.032 4.150 -0.118 25439 14446 1 20 . 1 1 30 30 LEU CA C 30 58.333 58.333 57.737 0.596 25439 14447 1 20 . 1 1 30 30 LEU CB C 30 42.339 42.339 42.153 0.186 25439 14448 1 20 . 1 1 30 30 LEU H H 30 8.677 8.677 8.673 0.004 25439 14449 1 20 . 1 1 31 31 ARG N N 31 120.629 120.629 118.821 1.808 25439 14450 1 20 . 1 1 31 31 ARG HA H 31 4.105 4.105 4.036 0.069 25439 14451 1 20 . 1 1 31 31 ARG CA C 31 59.340 59.340 59.453 -0.113 25439 14452 1 20 . 1 1 31 31 ARG CB C 31 30.044 30.044 29.377 0.667 25439 14453 1 20 . 1 1 31 31 ARG H H 31 8.227 8.227 8.058 0.169 25439 14454 1 20 . 1 1 32 32 ASP N N 32 120.233 120.233 121.201 -0.968 25439 14455 1 20 . 1 1 32 32 ASP HA H 32 4.484 4.484 4.390 0.094 25439 14456 1 20 . 1 1 32 32 ASP CA C 32 57.199 57.199 57.673 -0.474 25439 14457 1 20 . 1 1 32 32 ASP CB C 32 40.202 40.202 40.310 -0.108 25439 14458 1 20 . 1 1 32 32 ASP H H 32 8.407 8.407 7.766 0.641 25439 14459 1 20 . 1 1 33 33 ALA N N 33 121.939 121.939 121.676 0.263 25439 14460 1 20 . 1 1 33 33 ALA HA H 33 4.321 4.321 3.936 0.385 25439 14461 1 20 . 1 1 33 33 ALA CA C 33 54.207 54.207 55.019 -0.812 25439 14462 1 20 . 1 1 33 33 ALA CB C 33 18.738 18.738 18.565 0.173 25439 14463 1 20 . 1 1 33 33 ALA H H 33 8.057 8.057 7.404 0.653 25439 14464 1 20 . 1 1 34 34 GLN N N 34 114.736 114.736 117.807 -3.071 25439 14465 1 20 . 1 1 34 34 GLN HA H 34 4.248 4.248 4.012 0.236 25439 14466 1 20 . 1 1 34 34 GLN CA C 34 56.567 56.567 58.833 -2.266 25439 14467 1 20 . 1 1 34 34 GLN CB C 34 29.743 29.743 28.589 1.154 25439 14468 1 20 . 1 1 34 34 GLN H H 34 7.746 7.746 8.044 -0.298 25439 14469 1 20 . 1 1 35 35 LYS N N 35 120.534 120.534 118.755 1.779 25439 14470 1 20 . 1 1 35 35 LYS HA H 35 4.232 4.232 4.029 0.203 25439 14471 1 20 . 1 1 35 35 LYS CA C 35 57.427 57.427 59.362 -1.935 25439 14472 1 20 . 1 1 35 35 LYS CB C 35 32.887 32.887 32.052 0.835 25439 14473 1 20 . 1 1 35 35 LYS H H 35 7.570 7.570 8.286 -0.716 25439 14474 1 20 . 1 1 36 36 ASP N N 36 120.943 120.943 119.370 1.573 25439 14475 1 20 . 1 1 36 36 ASP HA H 36 4.595 4.595 4.530 0.065 25439 14476 1 20 . 1 1 36 36 ASP CA C 36 54.983 54.983 57.141 -2.158 25439 14477 1 20 . 1 1 36 36 ASP CB C 36 41.129 41.129 40.692 0.437 25439 14478 1 20 . 1 1 36 36 ASP H H 36 8.375 8.375 7.742 0.633 25439 14479 1 20 . 1 1 37 37 LYS N N 37 122.598 122.598 118.953 3.645 25439 14480 1 20 . 1 1 37 37 LYS HA H 37 4.365 4.365 4.093 0.272 25439 14481 1 20 . 1 1 37 37 LYS CA C 37 56.725 56.725 58.571 -1.846 25439 14482 1 20 . 1 1 37 37 LYS CB C 37 32.823 32.823 32.545 0.278 25439 14483 1 20 . 1 1 37 37 LYS H H 37 8.446 8.446 7.664 0.782 25439 14484 1 20 . 1 1 38 38 SER N N 38 115.849 115.849 112.728 3.121 25439 14485 1 20 . 1 1 38 38 SER HA H 38 4.423 4.423 4.592 -0.169 25439 14486 1 20 . 1 1 38 38 SER CA C 38 59.193 59.193 57.656 1.537 25439 14487 1 20 . 1 1 38 38 SER CB C 38 63.744 63.744 63.078 0.666 25439 14488 1 20 . 1 1 38 38 SER H H 38 8.392 8.392 7.654 0.738 25439 14489 1 20 . 1 1 39 39 SER N N 39 117.258 117.258 115.797 1.461 25439 14490 1 20 . 1 1 39 39 SER HA H 39 4.445 4.445 4.452 -0.007 25439 14491 1 20 . 1 1 39 39 SER CA C 39 58.933 58.933 58.316 0.616 25439 14492 1 20 . 1 1 39 39 SER CB C 39 63.711 63.711 63.906 -0.195 25439 14493 1 20 . 1 1 39 39 SER H H 39 8.283 8.283 7.781 0.502 25439 14494 1 20 . 1 1 40 40 LYS N N 40 122.427 122.427 124.029 -1.602 25439 14495 1 20 . 1 1 40 40 LYS HA H 40 4.321 4.321 4.039 0.282 25439 14496 1 20 . 1 1 40 40 LYS CA C 40 56.847 56.847 57.133 -0.286 25439 14497 1 20 . 1 1 40 40 LYS CB C 40 32.764 32.764 31.992 0.771 25439 14498 1 20 . 1 1 40 40 LYS H H 40 8.263 8.263 8.665 -0.402 25439 14499 1 20 . 1 1 41 41 LEU N N 41 121.281 121.281 118.982 2.299 25439 14500 1 20 . 1 1 41 41 LEU HA H 41 4.308 4.308 4.922 -0.614 25439 14501 1 20 . 1 1 41 41 LEU CA C 41 55.335 55.335 54.621 0.714 25439 14502 1 20 . 1 1 41 41 LEU CB C 41 42.212 42.212 41.762 0.450 25439 14503 1 20 . 1 1 41 41 LEU H H 41 8.068 8.068 8.077 -0.009 25439 14504 1 20 . 1 1 42 42 ALA N N 42 123.964 123.964 124.435 -0.471 25439 14505 1 20 . 1 1 42 42 ALA HA H 42 4.274 4.274 4.482 -0.208 25439 14506 1 20 . 1 1 42 42 ALA CA C 42 52.851 52.851 52.432 0.419 25439 14507 1 20 . 1 1 42 42 ALA CB C 42 19.135 19.135 19.171 -0.035 25439 14508 1 20 . 1 1 42 42 ALA H H 42 8.111 8.111 8.478 -0.367 25439 14509 1 20 . 1 1 43 43 ALA N N 43 122.146 122.146 121.989 0.157 25439 14510 1 20 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.611 -0.314 25439 14511 1 20 . 1 1 43 43 ALA CA C 43 52.727 52.727 51.533 1.194 25439 14512 1 20 . 1 1 43 43 ALA CB C 43 19.318 19.318 20.041 -0.723 25439 14513 1 20 . 1 1 43 43 ALA H H 43 8.101 8.101 7.473 0.628 25439 14514 1 20 . 1 1 44 44 LYS N N 44 119.454 119.454 120.414 -0.960 25439 14515 1 20 . 1 1 44 44 LYS HA H 44 4.349 4.349 3.948 0.401 25439 14516 1 20 . 1 1 44 44 LYS CA C 44 56.267 56.267 56.686 -0.419 25439 14517 1 20 . 1 1 44 44 LYS CB C 44 32.825 32.825 31.608 1.217 25439 14518 1 20 . 1 1 44 44 LYS H H 44 8.198 8.198 8.348 -0.150 25439 14519 1 20 . 1 1 45 45 SER N N 45 116.660 116.660 113.912 2.748 25439 14520 1 20 . 1 1 45 45 SER HA H 45 4.368 4.368 4.626 -0.258 25439 14521 1 20 . 1 1 45 45 SER CA C 45 58.477 58.477 59.758 -1.281 25439 14522 1 20 . 1 1 45 45 SER CB C 45 64.063 64.063 64.373 -0.310 25439 14523 1 20 . 1 1 45 45 SER H H 45 8.251 8.251 8.385 -0.134 25439 14524 1 20 . 1 1 46 46 ASN N N 46 120.516 120.516 120.156 0.360 25439 14525 1 20 . 1 1 46 46 ASN HA H 46 4.361 4.361 4.161 0.200 25439 14526 1 20 . 1 1 46 46 ASN CA C 46 54.657 54.657 56.482 -1.825 25439 14527 1 20 . 1 1 46 46 ASN CB C 46 37.649 37.649 37.899 -0.250 25439 14528 1 20 . 1 1 46 46 ASN H H 46 8.498 8.498 8.509 -0.011 25439 14529 1 20 . 1 1 47 47 GLU N N 47 117.964 117.964 117.351 0.613 25439 14530 1 20 . 1 1 47 47 GLU HA H 47 3.350 3.350 2.963 0.387 25439 14531 1 20 . 1 1 47 47 GLU CA C 47 59.213 59.213 58.896 0.317 25439 14532 1 20 . 1 1 47 47 GLU CB C 47 28.998 28.998 28.913 0.085 25439 14533 1 20 . 1 1 47 47 GLU H H 47 8.016 8.016 8.343 -0.327 25439 14534 1 20 . 1 1 48 48 GLN N N 48 119.468 119.468 119.205 0.263 25439 14535 1 20 . 1 1 48 48 GLN HA H 48 4.250 4.250 4.043 0.207 25439 14536 1 20 . 1 1 48 48 GLN CA C 48 58.529 58.529 58.256 0.273 25439 14537 1 20 . 1 1 48 48 GLN CB C 48 28.902 28.902 28.183 0.719 25439 14538 1 20 . 1 1 48 48 GLN H H 48 7.892 7.892 7.381 0.511 25439 14539 1 20 . 1 1 49 49 LEU N N 49 120.145 120.145 120.109 0.036 25439 14540 1 20 . 1 1 49 49 LEU HA H 49 4.232 4.232 3.966 0.266 25439 14541 1 20 . 1 1 49 49 LEU CA C 49 57.479 57.479 57.934 -0.455 25439 14542 1 20 . 1 1 49 49 LEU CB C 49 41.391 41.391 41.876 -0.485 25439 14543 1 20 . 1 1 49 49 LEU H H 49 7.699 7.699 7.428 0.271 25439 14544 1 20 . 1 1 50 50 TRP N N 50 119.596 119.596 117.996 1.600 25439 14545 1 20 . 1 1 50 50 TRP HA H 50 4.520 4.520 4.437 0.083 25439 14546 1 20 . 1 1 50 50 TRP CA C 50 58.353 58.353 57.849 0.504 25439 14547 1 20 . 1 1 50 50 TRP CB C 50 28.880 28.880 27.978 0.902 25439 14548 1 20 . 1 1 50 50 TRP H H 50 8.385 8.385 7.601 0.784 25439 14549 1 20 . 1 1 51 51 GLU N N 51 119.362 119.362 118.485 0.877 25439 14550 1 20 . 1 1 51 51 GLU HA H 51 4.145 4.145 4.086 0.059 25439 14551 1 20 . 1 1 51 51 GLU CA C 51 60.035 60.035 59.320 0.715 25439 14552 1 20 . 1 1 51 51 GLU CB C 51 29.675 29.675 29.296 0.379 25439 14553 1 20 . 1 1 51 51 GLU H H 51 8.223 8.223 7.799 0.424 25439 14554 1 20 . 1 1 52 52 ILE N N 52 119.018 119.018 120.208 -1.190 25439 14555 1 20 . 1 1 52 52 ILE HA H 52 3.673 3.673 3.722 -0.049 25439 14556 1 20 . 1 1 52 52 ILE CA C 52 65.511 65.511 65.294 0.217 25439 14557 1 20 . 1 1 52 52 ILE CB C 52 38.532 38.532 38.146 0.386 25439 14558 1 20 . 1 1 52 52 ILE H H 52 7.801 7.801 7.626 0.175 25439 14559 1 20 . 1 1 53 53 MET N N 53 118.133 118.133 116.854 1.279 25439 14560 1 20 . 1 1 53 53 MET HA H 53 4.452 4.452 4.114 0.338 25439 14561 1 20 . 1 1 53 53 MET CA C 53 58.216 58.216 58.579 -0.363 25439 14562 1 20 . 1 1 53 53 MET CB C 53 31.838 31.838 31.816 0.022 25439 14563 1 20 . 1 1 53 53 MET H H 53 8.411 8.411 7.651 0.760 25439 14564 1 20 . 1 1 54 54 GLN N N 54 120.855 120.855 118.788 2.067 25439 14565 1 20 . 1 1 54 54 GLN HA H 54 4.333 4.333 4.067 0.266 25439 14566 1 20 . 1 1 54 54 GLN CA C 54 59.004 59.004 58.714 0.290 25439 14567 1 20 . 1 1 54 54 GLN CB C 54 27.824 27.824 28.885 -1.061 25439 14568 1 20 . 1 1 54 54 GLN H H 54 8.860 8.860 8.486 0.374 25439 14569 1 20 . 1 1 55 55 LEU N N 55 122.788 122.788 120.169 2.619 25439 14570 1 20 . 1 1 55 55 LEU HA H 55 4.302 4.302 4.188 0.114 25439 14571 1 20 . 1 1 55 55 LEU CA C 55 58.685 58.685 58.198 0.487 25439 14572 1 20 . 1 1 55 55 LEU CB C 55 42.695 42.695 41.834 0.861 25439 14573 1 20 . 1 1 55 55 LEU H H 55 8.298 8.298 8.146 0.152 25439 14574 1 20 . 1 1 56 56 HIS N N 56 118.426 118.426 117.776 0.650 25439 14575 1 20 . 1 1 56 56 HIS HA H 56 4.317 4.317 4.220 0.097 25439 14576 1 20 . 1 1 56 56 HIS CA C 56 60.732 60.732 60.498 0.234 25439 14577 1 20 . 1 1 56 56 HIS CB C 56 30.530 30.530 29.707 0.823 25439 14578 1 20 . 1 1 56 56 HIS H H 56 8.416 8.416 7.880 0.536 25439 14579 1 20 . 1 1 57 57 HIS N N 57 121.197 121.197 119.817 1.380 25439 14580 1 20 . 1 1 57 57 HIS HA H 57 4.318 4.318 4.603 -0.285 25439 14581 1 20 . 1 1 57 57 HIS CA C 57 60.739 60.739 58.939 1.800 25439 14582 1 20 . 1 1 57 57 HIS CB C 57 28.726 28.726 30.171 -1.444 25439 14583 1 20 . 1 1 57 57 HIS H H 57 8.608 8.608 8.193 0.415 25439 14584 1 20 . 1 1 58 58 GLN N N 58 118.739 118.739 118.914 -0.175 25439 14585 1 20 . 1 1 58 58 GLN HA H 58 4.202 4.202 4.101 0.101 25439 14586 1 20 . 1 1 58 58 GLN CA C 58 59.507 59.507 59.760 -0.252 25439 14587 1 20 . 1 1 58 58 GLN CB C 58 29.111 29.111 28.915 0.196 25439 14588 1 20 . 1 1 58 58 GLN H H 58 9.206 9.206 8.227 0.979 25439 14589 1 20 . 1 1 59 59 ARG N N 59 122.498 122.498 120.069 2.429 25439 14590 1 20 . 1 1 59 59 ARG HA H 59 3.437 3.437 3.586 -0.149 25439 14591 1 20 . 1 1 59 59 ARG CA C 59 60.361 60.361 59.687 0.674 25439 14592 1 20 . 1 1 59 59 ARG H H 59 8.623 8.623 8.408 0.215 25439 14593 1 20 . 1 1 60 60 SER N N 60 114.930 114.930 115.550 -0.620 25439 14594 1 20 . 1 1 60 60 SER HA H 60 4.515 4.515 4.244 0.271 25439 14595 1 20 . 1 1 60 60 SER CA C 60 64.832 64.832 61.560 3.272 25439 14596 1 20 . 1 1 60 60 SER CB C 60 63.583 63.583 63.159 0.424 25439 14597 1 20 . 1 1 60 60 SER H H 60 7.993 7.993 8.669 -0.676 25439 14598 1 20 . 1 1 61 61 ARG N N 61 124.417 124.417 122.642 1.775 25439 14599 1 20 . 1 1 61 61 ARG HA H 61 4.204 4.204 4.165 0.039 25439 14600 1 20 . 1 1 61 61 ARG CA C 61 58.852 58.852 59.141 -0.289 25439 14601 1 20 . 1 1 61 61 ARG CB C 61 29.077 29.077 29.893 -0.816 25439 14602 1 20 . 1 1 61 61 ARG H H 61 9.569 9.569 8.560 1.009 25439 14603 1 20 . 1 1 62 62 TYR N N 62 124.484 124.484 120.967 3.517 25439 14604 1 20 . 1 1 62 62 TYR HA H 62 4.676 4.676 4.286 0.390 25439 14605 1 20 . 1 1 62 62 TYR CA C 62 61.006 61.006 62.062 -1.056 25439 14606 1 20 . 1 1 62 62 TYR CB C 62 38.392 38.392 38.623 -0.231 25439 14607 1 20 . 1 1 62 62 TYR H H 62 8.622 8.622 8.191 0.431 25439 14608 1 20 . 1 1 63 63 ILE N N 63 119.789 119.789 119.123 0.666 25439 14609 1 20 . 1 1 63 63 ILE HA H 63 3.492 3.492 3.783 -0.291 25439 14610 1 20 . 1 1 63 63 ILE CA C 63 65.693 65.693 65.714 -0.021 25439 14611 1 20 . 1 1 63 63 ILE CB C 63 38.023 38.023 38.269 -0.246 25439 14612 1 20 . 1 1 63 63 ILE H H 63 7.588 7.588 8.209 -0.621 25439 14613 1 20 . 1 1 64 64 TYR N N 64 120.485 120.485 121.464 -0.979 25439 14614 1 20 . 1 1 64 64 TYR HA H 64 4.577 4.577 4.264 0.313 25439 14615 1 20 . 1 1 64 64 TYR CA C 64 61.759 61.759 62.972 -1.213 25439 14616 1 20 . 1 1 64 64 TYR CB C 64 39.772 39.772 38.539 1.233 25439 14617 1 20 . 1 1 64 64 TYR H H 64 9.166 9.166 9.233 -0.067 25439 14618 1 20 . 1 1 65 65 THR N N 65 117.072 117.072 116.925 0.147 25439 14619 1 20 . 1 1 65 65 THR HA H 65 3.562 3.562 3.945 -0.383 25439 14620 1 20 . 1 1 65 65 THR CA C 65 67.016 67.016 67.617 -0.601 25439 14621 1 20 . 1 1 65 65 THR CB C 65 68.711 68.711 68.569 0.142 25439 14622 1 20 . 1 1 65 65 THR H H 65 8.987 8.987 8.837 0.150 25439 14623 1 20 . 1 1 66 66 LEU N N 66 122.107 122.107 120.638 1.469 25439 14624 1 20 . 1 1 66 66 LEU HA H 66 3.782 3.782 4.300 -0.518 25439 14625 1 20 . 1 1 66 66 LEU CA C 66 58.476 58.476 58.038 0.438 25439 14626 1 20 . 1 1 66 66 LEU CB C 66 43.183 43.183 41.040 2.143 25439 14627 1 20 . 1 1 66 66 LEU H H 66 8.286 8.286 7.609 0.677 25439 14628 1 20 . 1 1 67 67 TYR N N 67 115.264 115.264 119.405 -4.141 25439 14629 1 20 . 1 1 67 67 TYR HA H 67 4.344 4.344 4.088 0.256 25439 14630 1 20 . 1 1 67 67 TYR CA C 67 60.830 60.830 61.515 -0.685 25439 14631 1 20 . 1 1 67 67 TYR CB C 67 40.376 40.376 39.490 0.886 25439 14632 1 20 . 1 1 67 67 TYR H H 67 7.983 7.983 8.386 -0.403 25439 14633 1 20 . 1 1 68 68 TYR N N 68 113.945 113.945 115.509 -1.564 25439 14634 1 20 . 1 1 68 68 TYR HA H 68 3.699 3.699 4.285 -0.586 25439 14635 1 20 . 1 1 68 68 TYR CA C 68 62.030 62.030 59.961 2.069 25439 14636 1 20 . 1 1 68 68 TYR CB C 68 38.046 38.046 38.768 -0.722 25439 14637 1 20 . 1 1 68 68 TYR H H 68 8.297 8.297 7.743 0.554 25439 14638 1 20 . 1 1 69 69 LYS N N 69 114.346 114.346 117.410 -3.064 25439 14639 1 20 . 1 1 69 69 LYS HA H 69 4.564 4.564 4.374 0.190 25439 14640 1 20 . 1 1 69 69 LYS CA C 69 56.821 56.821 56.768 0.053 25439 14641 1 20 . 1 1 69 69 LYS CB C 69 31.980 31.980 33.341 -1.361 25439 14642 1 20 . 1 1 69 69 LYS H H 69 7.084 7.084 7.440 -0.356 25439 14643 1 20 . 1 1 70 70 ARG N N 70 114.676 114.676 119.567 -4.891 25439 14644 1 20 . 1 1 70 70 ARG HA H 70 4.251 4.251 4.153 0.098 25439 14645 1 20 . 1 1 70 70 ARG CA C 70 56.314 56.314 56.654 -0.340 25439 14646 1 20 . 1 1 70 70 ARG CB C 70 31.128 31.128 30.476 0.652 25439 14647 1 20 . 1 1 70 70 ARG H H 70 8.178 8.178 7.831 0.347 25439 14648 1 20 . 1 1 71 71 LYS N N 71 115.371 115.371 114.434 0.937 25439 14649 1 20 . 1 1 71 71 LYS HA H 71 4.036 4.036 3.748 0.288 25439 14650 1 20 . 1 1 71 71 LYS CA C 71 57.121 57.121 57.294 -0.173 25439 14651 1 20 . 1 1 71 71 LYS CB C 71 28.897 28.897 29.154 -0.257 25439 14652 1 20 . 1 1 71 71 LYS H H 71 6.843 6.843 7.833 -0.990 25439 14653 1 20 . 1 1 72 72 ALA N N 72 117.701 117.701 121.050 -3.349 25439 14654 1 20 . 1 1 72 72 ALA HA H 72 4.395 4.395 4.411 -0.016 25439 14655 1 20 . 1 1 72 72 ALA CA C 72 52.597 52.597 51.944 0.653 25439 14656 1 20 . 1 1 72 72 ALA CB C 72 21.560 21.560 19.984 1.576 25439 14657 1 20 . 1 1 72 72 ALA H H 72 8.560 8.560 7.645 0.915 25439 14658 1 20 . 1 1 73 73 ILE N N 73 107.605 107.605 117.584 -9.979 25439 14659 1 20 . 1 1 73 73 ILE CB C 73 42.724 42.724 41.140 1.584 25439 14660 1 20 . 1 1 73 73 ILE H H 73 7.074 7.074 7.410 -0.336 25439 14661 1 20 . 1 1 74 74 SER N N 74 118.425 118.425 117.608 0.817 25439 14662 1 20 . 1 1 74 74 SER HA H 74 4.484 4.484 4.877 -0.393 25439 14663 1 20 . 1 1 74 74 SER CA C 74 57.082 57.082 57.421 -0.339 25439 14664 1 20 . 1 1 74 74 SER CB C 74 65.396 65.396 65.049 0.347 25439 14665 1 20 . 1 1 74 74 SER H H 74 8.797 8.797 8.454 0.343 25439 14666 1 20 . 1 1 75 75 LYS N N 75 121.891 121.891 125.645 -3.754 25439 14667 1 20 . 1 1 75 75 LYS HA H 75 3.851 3.851 4.234 -0.383 25439 14668 1 20 . 1 1 75 75 LYS CA C 75 59.624 59.624 60.234 -0.610 25439 14669 1 20 . 1 1 75 75 LYS CB C 75 32.368 32.368 32.569 -0.201 25439 14670 1 20 . 1 1 75 75 LYS H H 75 9.024 9.024 9.121 -0.097 25439 14671 1 20 . 1 1 76 76 ASP N N 76 115.908 115.908 118.509 -2.601 25439 14672 1 20 . 1 1 76 76 ASP HA H 76 4.423 4.423 4.412 0.011 25439 14673 1 20 . 1 1 76 76 ASP CA C 76 57.362 57.362 57.512 -0.150 25439 14674 1 20 . 1 1 76 76 ASP CB C 76 40.391 40.391 40.179 0.212 25439 14675 1 20 . 1 1 76 76 ASP H H 76 8.161 8.161 8.472 -0.311 25439 14676 1 20 . 1 1 77 77 LEU N N 77 121.705 121.705 121.099 0.606 25439 14677 1 20 . 1 1 77 77 LEU HA H 77 4.180 4.180 4.151 0.029 25439 14678 1 20 . 1 1 77 77 LEU CA C 77 57.818 57.818 57.820 -0.002 25439 14679 1 20 . 1 1 77 77 LEU H H 77 8.345 8.345 7.710 0.635 25439 14680 1 20 . 1 1 78 78 TYR N N 78 121.511 121.511 119.876 1.635 25439 14681 1 20 . 1 1 78 78 TYR HA H 78 3.789 3.789 4.032 -0.243 25439 14682 1 20 . 1 1 78 78 TYR CA C 78 62.857 62.857 60.410 2.447 25439 14683 1 20 . 1 1 78 78 TYR CB C 78 38.369 38.369 37.832 0.537 25439 14684 1 20 . 1 1 78 78 TYR H H 78 8.598 8.598 8.650 -0.052 25439 14685 1 20 . 1 1 79 79 ASP N N 79 117.189 117.189 119.728 -2.539 25439 14686 1 20 . 1 1 79 79 ASP HA H 79 4.066 4.066 4.006 0.060 25439 14687 1 20 . 1 1 79 79 ASP CA C 79 57.219 57.219 57.501 -0.282 25439 14688 1 20 . 1 1 79 79 ASP CB C 79 40.003 40.003 40.676 -0.673 25439 14689 1 20 . 1 1 79 79 ASP H H 79 9.106 9.106 8.556 0.550 25439 14690 1 20 . 1 1 80 80 TRP N N 80 123.400 123.400 122.601 0.799 25439 14691 1 20 . 1 1 80 80 TRP HA H 80 4.160 4.160 4.126 0.034 25439 14692 1 20 . 1 1 80 80 TRP CA C 80 62.368 62.368 61.854 0.514 25439 14693 1 20 . 1 1 80 80 TRP CB C 80 29.969 29.969 29.235 0.734 25439 14694 1 20 . 1 1 80 80 TRP H H 80 7.931 7.931 8.250 -0.319 25439 14695 1 20 . 1 1 81 81 LEU N N 81 119.674 119.674 118.909 0.765 25439 14696 1 20 . 1 1 81 81 LEU HA H 81 3.971 3.971 2.437 1.534 25439 14697 1 20 . 1 1 81 81 LEU CA C 81 58.294 58.294 58.330 -0.036 25439 14698 1 20 . 1 1 81 81 LEU CB C 81 41.818 41.818 41.481 0.337 25439 14699 1 20 . 1 1 81 81 LEU H H 81 8.814 8.814 7.837 0.977 25439 14700 1 20 . 1 1 82 82 ILE N N 82 118.746 118.746 119.017 -0.271 25439 14701 1 20 . 1 1 82 82 ILE HA H 82 3.861 3.861 3.729 0.132 25439 14702 1 20 . 1 1 82 82 ILE CA C 82 62.734 62.734 63.372 -0.638 25439 14703 1 20 . 1 1 82 82 ILE CB C 82 36.236 36.236 36.469 -0.233 25439 14704 1 20 . 1 1 82 82 ILE H H 82 7.886 7.886 7.545 0.341 25439 14705 1 20 . 1 1 83 83 LYS N N 83 124.819 124.819 118.058 6.761 25439 14706 1 20 . 1 1 83 83 LYS HA H 83 3.911 3.911 4.167 -0.256 25439 14707 1 20 . 1 1 83 83 LYS CA C 83 59.643 59.643 57.036 2.607 25439 14708 1 20 . 1 1 83 83 LYS CB C 83 32.027 32.027 32.378 -0.351 25439 14709 1 20 . 1 1 83 83 LYS H H 83 8.224 8.224 7.763 0.461 25439 14710 1 20 . 1 1 84 84 GLU N N 84 115.404 115.404 118.343 -2.939 25439 14711 1 20 . 1 1 84 84 GLU HA H 84 3.841 3.841 4.374 -0.533 25439 14712 1 20 . 1 1 84 84 GLU CA C 84 55.582 55.582 54.711 0.871 25439 14713 1 20 . 1 1 84 84 GLU CB C 84 29.459 29.459 28.901 0.558 25439 14714 1 20 . 1 1 84 84 GLU H H 84 8.138 8.138 7.265 0.873 25439 14715 1 20 . 1 1 85 85 LYS N N 85 111.563 111.563 118.446 -6.883 25439 14716 1 20 . 1 1 85 85 LYS HA H 85 3.820 3.820 4.025 -0.205 25439 14717 1 20 . 1 1 85 85 LYS CA C 85 57.890 57.890 57.344 0.546 25439 14718 1 20 . 1 1 85 85 LYS CB C 85 28.005 28.005 30.710 -2.705 25439 14719 1 20 . 1 1 85 85 LYS H H 85 7.719 7.719 7.980 -0.261 25439 14720 1 20 . 1 1 86 86 TYR N N 86 116.916 116.916 118.103 -1.187 25439 14721 1 20 . 1 1 86 86 TYR HA H 86 4.137 4.137 4.356 -0.219 25439 14722 1 20 . 1 1 86 86 TYR CA C 86 61.228 61.228 58.445 2.783 25439 14723 1 20 . 1 1 86 86 TYR CB C 86 39.535 39.535 41.157 -1.622 25439 14724 1 20 . 1 1 86 86 TYR H H 86 8.521 8.521 8.301 0.220 25439 14725 1 20 . 1 1 87 87 ALA N N 87 113.715 113.715 119.166 -5.451 25439 14726 1 20 . 1 1 87 87 ALA HA H 87 4.738 4.738 4.191 0.547 25439 14727 1 20 . 1 1 87 87 ALA CA C 87 49.121 49.121 50.736 -1.615 25439 14728 1 20 . 1 1 87 87 ALA CB C 87 23.295 23.295 21.979 1.316 25439 14729 1 20 . 1 1 87 87 ALA H H 87 6.959 6.959 7.620 -0.661 25439 14730 1 20 . 1 1 88 88 ASP N N 88 119.344 119.344 119.455 -0.111 25439 14731 1 20 . 1 1 88 88 ASP HA H 88 4.544 4.544 4.964 -0.420 25439 14732 1 20 . 1 1 88 88 ASP CA C 88 52.714 52.714 52.907 -0.193 25439 14733 1 20 . 1 1 88 88 ASP CB C 88 41.845 41.845 42.558 -0.713 25439 14734 1 20 . 1 1 88 88 ASP H H 88 7.870 7.870 8.744 -0.874 25439 14735 1 20 . 1 1 89 89 LYS N N 89 125.312 125.312 126.662 -1.350 25439 14736 1 20 . 1 1 89 89 LYS HA H 89 3.834 3.834 4.064 -0.230 25439 14737 1 20 . 1 1 89 89 LYS CA C 89 59.409 59.409 59.760 -0.351 25439 14738 1 20 . 1 1 89 89 LYS CB C 89 32.848 32.848 32.504 0.344 25439 14739 1 20 . 1 1 89 89 LYS H H 89 8.467 8.467 8.779 -0.312 25439 14740 1 20 . 1 1 90 90 LEU N N 90 119.899 119.899 120.414 -0.515 25439 14741 1 20 . 1 1 90 90 LEU HA H 90 4.023 4.023 4.018 0.005 25439 14742 1 20 . 1 1 90 90 LEU CA C 90 57.049 57.049 57.905 -0.856 25439 14743 1 20 . 1 1 90 90 LEU CB C 90 41.099 41.099 41.690 -0.591 25439 14744 1 20 . 1 1 90 90 LEU H H 90 8.076 8.076 7.927 0.149 25439 14745 1 20 . 1 1 91 91 LEU N N 91 123.148 123.148 120.455 2.693 25439 14746 1 20 . 1 1 91 91 LEU HA H 91 3.498 3.498 3.697 -0.199 25439 14747 1 20 . 1 1 91 91 LEU CA C 91 56.971 56.971 57.758 -0.787 25439 14748 1 20 . 1 1 91 91 LEU CB C 91 41.823 41.823 41.591 0.232 25439 14749 1 20 . 1 1 91 91 LEU H H 91 7.120 7.120 8.094 -0.974 25439 14750 1 20 . 1 1 92 92 ILE N N 92 116.780 116.780 118.892 -2.112 25439 14751 1 20 . 1 1 92 92 ILE HA H 92 3.265 3.265 3.680 -0.415 25439 14752 1 20 . 1 1 92 92 ILE CA C 92 65.178 65.178 65.474 -0.296 25439 14753 1 20 . 1 1 92 92 ILE CB C 92 38.209 38.209 37.622 0.587 25439 14754 1 20 . 1 1 92 92 ILE H H 92 7.384 7.384 7.904 -0.520 25439 14755 1 20 . 1 1 93 93 ALA N N 93 117.061 117.061 121.723 -4.662 25439 14756 1 20 . 1 1 93 93 ALA HA H 93 3.930 3.930 4.082 -0.152 25439 14757 1 20 . 1 1 93 93 ALA CA C 93 54.839 54.839 55.171 -0.332 25439 14758 1 20 . 1 1 93 93 ALA CB C 93 18.125 18.125 18.243 -0.118 25439 14759 1 20 . 1 1 93 93 ALA H H 93 7.437 7.437 8.425 -0.988 25439 14760 1 20 . 1 1 94 94 LYS N N 94 116.036 116.036 119.724 -3.688 25439 14761 1 20 . 1 1 94 94 LYS HA H 94 3.803 3.803 3.879 -0.076 25439 14762 1 20 . 1 1 94 94 LYS CA C 94 56.945 56.945 58.697 -1.752 25439 14763 1 20 . 1 1 94 94 LYS CB C 94 31.047 31.047 31.601 -0.554 25439 14764 1 20 . 1 1 94 94 LYS H H 94 7.012 7.012 7.709 -0.697 25439 14765 1 20 . 1 1 95 95 TRP N N 95 118.700 118.700 116.851 1.849 25439 14766 1 20 . 1 1 95 95 TRP HA H 95 4.814 4.814 4.571 0.243 25439 14767 1 20 . 1 1 95 95 TRP CA C 95 57.136 57.136 59.983 -2.847 25439 14768 1 20 . 1 1 95 95 TRP CB C 95 28.171 28.171 28.878 -0.707 25439 14769 1 20 . 1 1 95 95 TRP H H 95 7.611 7.611 7.544 0.067 25439 14770 1 20 . 1 1 96 96 ARG N N 96 113.031 113.031 116.742 -3.711 25439 14771 1 20 . 1 1 96 96 ARG HA H 96 4.233 4.233 4.521 -0.288 25439 14772 1 20 . 1 1 96 96 ARG CA C 96 56.234 56.234 56.134 0.100 25439 14773 1 20 . 1 1 96 96 ARG CB C 96 30.245 30.245 30.407 -0.161 25439 14774 1 20 . 1 1 96 96 ARG H H 96 7.066 7.066 7.547 -0.481 25439 14775 1 20 . 1 1 97 97 LYS N N 97 123.252 123.252 119.932 3.320 25439 14776 1 20 . 1 1 97 97 LYS HA H 97 4.634 4.634 4.526 0.108 25439 14777 1 20 . 1 1 97 97 LYS CA C 97 54.937 54.937 57.157 -2.220 25439 14778 1 20 . 1 1 97 97 LYS CB C 97 34.166 34.166 33.803 0.363 25439 14779 1 20 . 1 1 97 97 LYS H H 97 8.467 8.467 8.099 0.368 25439 14780 1 20 . 1 1 98 98 THR N N 98 119.993 119.993 111.647 8.346 25439 14781 1 20 . 1 1 98 98 THR HA H 98 4.224 4.224 4.352 -0.128 25439 14782 1 20 . 1 1 98 98 THR CA C 98 64.670 64.670 62.377 2.293 25439 14783 1 20 . 1 1 98 98 THR CB C 98 69.200 69.200 69.381 -0.181 25439 14784 1 20 . 1 1 98 98 THR H H 98 8.329 8.329 8.196 0.133 25439 14785 1 20 . 1 1 99 99 GLY N N 99 116.645 116.645 114.215 2.430 25439 14786 1 20 . 1 1 99 99 GLY CA C 99 45.047 45.047 45.546 -0.499 25439 14787 1 20 . 1 1 99 99 GLY H H 99 9.273 9.273 8.541 0.732 25439 14788 1 20 . 1 1 100 100 TYR N N 100 120.784 120.784 118.480 2.304 25439 14789 1 20 . 1 1 100 100 TYR HA H 100 4.704 4.704 4.638 0.066 25439 14790 1 20 . 1 1 100 100 TYR CA C 100 57.697 57.697 55.074 2.623 25439 14791 1 20 . 1 1 100 100 TYR CB C 100 39.413 39.413 36.541 2.872 25439 14792 1 20 . 1 1 100 100 TYR H H 100 8.457 8.457 8.194 0.263 25439 14793 1 20 . 1 1 101 101 GLU N N 101 119.482 119.482 120.916 -1.434 25439 14794 1 20 . 1 1 101 101 GLU HA H 101 4.601 4.601 4.178 0.423 25439 14795 1 20 . 1 1 101 101 GLU CA C 101 61.207 61.207 58.926 2.281 25439 14796 1 20 . 1 1 101 101 GLU CB C 101 29.648 29.648 29.952 -0.304 25439 14797 1 20 . 1 1 101 101 GLU H H 101 9.836 9.836 8.223 1.613 25439 14798 1 20 . 1 1 102 102 LYS N N 102 115.179 115.179 120.207 -5.028 25439 14799 1 20 . 1 1 102 102 LYS HA H 102 4.295 4.295 4.552 -0.257 25439 14800 1 20 . 1 1 102 102 LYS CA C 102 54.207 54.207 55.471 -1.264 25439 14801 1 20 . 1 1 102 102 LYS CB C 102 32.489 32.489 32.796 -0.307 25439 14802 1 20 . 1 1 102 102 LYS H H 102 8.291 8.291 8.018 0.273 25439 14803 1 20 . 1 1 103 103 LEU N N 103 119.637 119.637 124.633 -4.996 25439 14804 1 20 . 1 1 103 103 LEU HA H 103 4.385 4.385 4.827 -0.442 25439 14805 1 20 . 1 1 103 103 LEU CA C 103 56.549 56.549 54.574 1.975 25439 14806 1 20 . 1 1 103 103 LEU CB C 103 43.864 43.864 44.307 -0.443 25439 14807 1 20 . 1 1 103 103 LEU H H 103 7.642 7.642 8.418 -0.776 25439 14808 1 20 . 1 1 104 104 CYS N N 104 129.651 129.651 121.598 8.053 25439 14809 1 20 . 1 1 104 104 CYS HA H 104 4.498 4.498 5.151 -0.653 25439 14810 1 20 . 1 1 104 104 CYS CA C 104 58.076 58.076 58.437 -0.360 25439 14811 1 20 . 1 1 104 104 CYS CB C 104 32.301 32.301 28.216 4.085 25439 14812 1 20 . 1 1 104 104 CYS H H 104 8.638 8.638 8.981 -0.343 25439 14813 1 20 . 1 1 105 105 CYS N N 105 120.206 120.206 118.218 1.988 25439 14814 1 20 . 1 1 105 105 CYS HA H 105 4.806 4.806 4.764 0.042 25439 14815 1 20 . 1 1 105 105 CYS CA C 105 58.271 58.271 56.931 1.340 25439 14816 1 20 . 1 1 105 105 CYS CB C 105 32.062 32.062 30.178 1.883 25439 14817 1 20 . 1 1 105 105 CYS H H 105 8.158 8.158 8.012 0.146 25439 14818 1 20 . 1 1 106 106 LEU N N 106 115.513 115.513 120.940 -5.427 25439 14819 1 20 . 1 1 106 106 LEU HA H 106 4.054 4.054 4.211 -0.157 25439 14820 1 20 . 1 1 106 106 LEU CA C 106 56.110 56.110 56.684 -0.574 25439 14821 1 20 . 1 1 106 106 LEU CB C 106 41.227 41.227 42.349 -1.122 25439 14822 1 20 . 1 1 106 106 LEU H H 106 8.466 8.466 8.275 0.191 25439 14823 1 20 . 1 1 107 107 ARG N N 107 122.711 122.711 118.735 3.976 25439 14824 1 20 . 1 1 107 107 ARG HA H 107 3.993 3.993 4.521 -0.528 25439 14825 1 20 . 1 1 107 107 ARG CA C 107 58.311 58.311 56.244 2.067 25439 14826 1 20 . 1 1 107 107 ARG CB C 107 28.965 28.965 29.280 -0.315 25439 14827 1 20 . 1 1 107 107 ARG H H 107 8.131 8.131 8.129 0.002 25439 14828 1 20 . 1 1 108 108 CYS N N 108 119.055 119.055 117.988 1.067 25439 14829 1 20 . 1 1 108 108 CYS HA H 108 4.101 4.101 4.707 -0.606 25439 14830 1 20 . 1 1 108 108 CYS CA C 108 63.936 63.936 57.410 6.526 25439 14831 1 20 . 1 1 108 108 CYS CB C 108 30.934 30.934 27.421 3.513 25439 14832 1 20 . 1 1 108 108 CYS H H 108 8.010 8.010 7.877 0.133 25439 14833 1 20 . 1 1 109 109 ILE N N 109 107.315 107.315 113.744 -6.429 25439 14834 1 20 . 1 1 109 109 ILE HA H 109 4.684 4.684 4.457 0.227 25439 14835 1 20 . 1 1 109 109 ILE CA C 109 60.483 60.483 60.807 -0.324 25439 14836 1 20 . 1 1 109 109 ILE CB C 109 38.320 38.320 38.536 -0.216 25439 14837 1 20 . 1 1 109 109 ILE H H 109 7.105 7.105 7.546 -0.441 25439 14838 1 20 . 1 1 110 110 GLN N N 110 122.468 122.468 120.313 2.155 25439 14839 1 20 . 1 1 110 110 GLN HA H 110 4.268 4.268 4.695 -0.427 25439 14840 1 20 . 1 1 110 110 GLN CA C 110 55.981 55.981 54.578 1.403 25439 14841 1 20 . 1 1 110 110 GLN CB C 110 29.656 29.656 32.280 -2.624 25439 14842 1 20 . 1 1 110 110 GLN H H 110 7.156 7.156 8.128 -0.972 25439 14843 1 20 . 1 1 111 111 LYS N N 111 124.650 124.650 121.206 3.444 25439 14844 1 20 . 1 1 111 111 LYS HA H 111 4.246 4.246 5.019 -0.773 25439 14845 1 20 . 1 1 111 111 LYS CA C 111 56.546 56.546 55.166 1.380 25439 14846 1 20 . 1 1 111 111 LYS CB C 111 32.846 32.846 35.380 -2.534 25439 14847 1 20 . 1 1 111 111 LYS H H 111 8.522 8.522 8.453 0.069 25439 14848 1 20 . 1 1 112 112 ASN N N 112 120.972 120.972 119.282 1.690 25439 14849 1 20 . 1 1 112 112 ASN HA H 112 4.778 4.778 4.774 0.004 25439 14850 1 20 . 1 1 112 112 ASN CA C 112 52.902 52.902 53.851 -0.949 25439 14851 1 20 . 1 1 112 112 ASN CB C 112 39.328 39.328 39.790 -0.462 25439 14852 1 20 . 1 1 112 112 ASN H H 112 8.360 8.360 8.815 -0.455 25439 14853 1 20 . 1 1 113 113 GLU N N 113 121.710 121.710 119.805 1.905 25439 14854 1 20 . 1 1 113 113 GLU HA H 113 4.248 4.248 4.686 -0.438 25439 14855 1 20 . 1 1 113 113 GLU CA C 113 58.611 58.611 55.925 2.686 25439 14856 1 20 . 1 1 113 113 GLU CB C 113 29.590 29.590 31.582 -1.992 25439 14857 1 20 . 1 1 113 113 GLU H H 113 9.023 9.023 8.304 0.719 25439 14858 1 20 . 1 1 114 114 THR N N 114 112.186 112.186 112.378 -0.192 25439 14859 1 20 . 1 1 114 114 THR HA H 114 4.321 4.321 4.630 -0.309 25439 14860 1 20 . 1 1 114 114 THR CA C 114 63.161 63.161 62.215 0.946 25439 14861 1 20 . 1 1 114 114 THR CB C 114 69.481 69.481 68.292 1.189 25439 14862 1 20 . 1 1 114 114 THR H H 114 8.112 8.112 8.356 -0.244 25439 14863 1 20 . 1 1 115 115 ASN N N 115 119.112 119.112 119.792 -0.680 25439 14864 1 20 . 1 1 115 115 ASN HA H 115 4.829 4.829 4.855 -0.026 25439 14865 1 20 . 1 1 115 115 ASN CA C 115 53.110 53.110 53.926 -0.816 25439 14866 1 20 . 1 1 115 115 ASN CB C 115 38.659 38.659 39.672 -1.013 25439 14867 1 20 . 1 1 115 115 ASN H H 115 8.047 8.047 8.926 -0.879 25439 14868 1 20 . 1 1 116 116 ASN N N 116 117.175 117.175 118.809 -1.634 25439 14869 1 20 . 1 1 116 116 ASN HA H 116 4.615 4.615 4.858 -0.243 25439 14870 1 20 . 1 1 116 116 ASN CA C 116 53.965 53.965 52.593 1.372 25439 14871 1 20 . 1 1 116 116 ASN CB C 116 38.173 38.173 39.139 -0.966 25439 14872 1 20 . 1 1 116 116 ASN H H 116 8.364 8.364 8.280 0.084 25439 14873 1 20 . 1 1 117 117 GLY N N 117 107.294 107.294 107.091 0.203 25439 14874 1 20 . 1 1 117 117 GLY CA C 117 45.882 45.882 45.757 0.125 25439 14875 1 20 . 1 1 117 117 GLY H H 117 8.264 8.264 8.442 -0.178 25439 14876 1 20 . 1 1 118 118 SER N N 118 115.475 115.475 118.255 -2.780 25439 14877 1 20 . 1 1 118 118 SER HA H 118 4.586 4.586 4.649 -0.063 25439 14878 1 20 . 1 1 118 118 SER CA C 118 57.974 57.974 58.688 -0.714 25439 14879 1 20 . 1 1 118 118 SER CB C 118 64.479 64.479 64.370 0.109 25439 14880 1 20 . 1 1 118 118 SER H H 118 7.905 7.905 8.313 -0.408 25439 14881 1 20 . 1 1 119 119 THR N N 119 111.360 111.360 115.403 -4.043 25439 14882 1 20 . 1 1 119 119 THR HA H 119 4.450 4.450 4.605 -0.155 25439 14883 1 20 . 1 1 119 119 THR CA C 119 61.215 61.215 61.009 0.206 25439 14884 1 20 . 1 1 119 119 THR CB C 119 70.569 70.569 71.155 -0.586 25439 14885 1 20 . 1 1 119 119 THR H H 119 8.044 8.044 7.824 0.220 25439 14886 1 20 . 1 1 120 120 CYS N N 120 122.708 122.708 120.541 2.167 25439 14887 1 20 . 1 1 120 120 CYS HA H 120 4.255 4.255 4.746 -0.491 25439 14888 1 20 . 1 1 120 120 CYS CA C 120 61.469 61.469 57.675 3.795 25439 14889 1 20 . 1 1 120 120 CYS CB C 120 30.892 30.892 29.463 1.429 25439 14890 1 20 . 1 1 120 120 CYS H H 120 8.045 8.045 8.527 -0.482 25439 14891 1 20 . 1 1 121 121 ILE N N 121 132.463 132.463 123.813 8.650 25439 14892 1 20 . 1 1 121 121 ILE HA H 121 4.025 4.025 3.807 0.218 25439 14893 1 20 . 1 1 121 121 ILE CA C 121 63.353 63.353 63.138 0.215 25439 14894 1 20 . 1 1 121 121 ILE CB C 121 38.222 38.222 37.566 0.656 25439 14895 1 20 . 1 1 121 121 ILE H H 121 8.237 8.237 8.416 -0.179 25439 14896 1 20 . 1 1 122 122 CYS N N 122 123.931 123.931 117.289 6.642 25439 14897 1 20 . 1 1 122 122 CYS HA H 122 4.233 4.233 4.206 0.027 25439 14898 1 20 . 1 1 122 122 CYS CA C 122 60.230 60.230 60.420 -0.190 25439 14899 1 20 . 1 1 122 122 CYS CB C 122 30.602 30.602 26.017 4.585 25439 14900 1 20 . 1 1 122 122 CYS H H 122 9.355 9.355 7.538 1.817 25439 14901 1 20 . 1 1 123 123 ARG N N 123 119.561 119.561 121.573 -2.012 25439 14902 1 20 . 1 1 123 123 ARG HA H 123 4.150 4.150 4.315 -0.165 25439 14903 1 20 . 1 1 123 123 ARG CA C 123 53.177 53.177 58.203 -5.026 25439 14904 1 20 . 1 1 123 123 ARG CB C 123 27.961 27.961 30.743 -2.782 25439 14905 1 20 . 1 1 123 123 ARG H H 123 7.677 7.677 7.458 0.219 25439 14906 1 20 . 1 1 124 124 VAL N N 124 122.794 122.794 120.918 1.876 25439 14907 1 20 . 1 1 124 124 VAL HA H 124 4.081 4.081 4.071 0.010 25439 14908 1 20 . 1 1 124 124 VAL CA C 124 60.647 60.647 60.914 -0.267 25439 14909 1 20 . 1 1 124 124 VAL CB C 124 32.857 32.857 31.988 0.869 25439 14910 1 20 . 1 1 124 124 VAL H H 124 7.578 7.578 7.443 0.135 25439 14911 1 20 . 1 1 125 125 PRO HA H 125 4.263 4.263 4.509 -0.246 25439 14912 1 20 . 1 1 125 125 PRO CA C 125 63.268 63.268 62.240 1.028 25439 14913 1 20 . 1 1 125 125 PRO CB C 125 32.379 32.379 32.816 -0.438 25439 14914 1 20 . 1 1 126 126 ARG N N 126 128.350 128.350 118.953 9.397 25439 14915 1 20 . 1 1 126 126 ARG HA H 126 3.912 3.912 4.098 -0.186 25439 14916 1 20 . 1 1 126 126 ARG CA C 126 59.653 59.653 59.224 0.429 25439 14917 1 20 . 1 1 126 126 ARG CB C 126 29.339 29.339 29.688 -0.349 25439 14918 1 20 . 1 1 126 126 ARG H H 126 9.534 9.534 8.828 0.706 25439 14919 1 20 . 1 1 127 127 ALA N N 127 119.169 119.169 122.008 -2.839 25439 14920 1 20 . 1 1 127 127 ALA HA H 127 4.192 4.192 4.019 0.173 25439 14921 1 20 . 1 1 127 127 ALA CA C 127 55.227 55.227 55.287 -0.060 25439 14922 1 20 . 1 1 127 127 ALA CB C 127 18.363 18.363 18.119 0.244 25439 14923 1 20 . 1 1 127 127 ALA H H 127 9.263 9.263 8.139 1.124 25439 14924 1 20 . 1 1 128 128 GLN N N 128 117.345 117.345 118.555 -1.210 25439 14925 1 20 . 1 1 128 128 GLN HA H 128 4.209 4.209 4.073 0.136 25439 14926 1 20 . 1 1 128 128 GLN CA C 128 58.506 58.506 58.780 -0.274 25439 14927 1 20 . 1 1 128 128 GLN CB C 128 28.220 28.220 28.392 -0.172 25439 14928 1 20 . 1 1 128 128 GLN H H 128 7.448 7.448 8.230 -0.782 25439 14929 1 20 . 1 1 129 129 LEU N N 129 120.561 120.561 120.515 0.046 25439 14930 1 20 . 1 1 129 129 LEU HA H 129 4.088 4.088 3.965 0.123 25439 14931 1 20 . 1 1 129 129 LEU CA C 129 57.952 57.952 58.041 -0.090 25439 14932 1 20 . 1 1 129 129 LEU CB C 129 41.817 41.817 41.983 -0.166 25439 14933 1 20 . 1 1 129 129 LEU H H 129 7.622 7.622 7.559 0.063 25439 14934 1 20 . 1 1 130 130 GLU N N 130 119.122 119.122 118.963 0.159 25439 14935 1 20 . 1 1 130 130 GLU HA H 130 3.956 3.956 3.888 0.068 25439 14936 1 20 . 1 1 130 130 GLU CA C 130 59.353 59.353 59.846 -0.493 25439 14937 1 20 . 1 1 130 130 GLU CB C 130 29.337 29.337 29.346 -0.009 25439 14938 1 20 . 1 1 130 130 GLU H H 130 8.656 8.656 8.665 -0.009 25439 14939 1 20 . 1 1 131 131 GLU N N 131 121.469 121.469 119.158 2.311 25439 14940 1 20 . 1 1 131 131 GLU HA H 131 4.163 4.163 3.990 0.173 25439 14941 1 20 . 1 1 131 131 GLU CA C 131 59.288 59.288 59.812 -0.524 25439 14942 1 20 . 1 1 131 131 GLU CB C 131 29.422 29.422 29.552 -0.130 25439 14943 1 20 . 1 1 131 131 GLU H H 131 7.922 7.922 7.819 0.103 25439 14944 1 20 . 1 1 132 132 GLU N N 132 119.241 119.241 118.808 0.433 25439 14945 1 20 . 1 1 132 132 GLU HA H 132 3.998 3.998 4.025 -0.027 25439 14946 1 20 . 1 1 132 132 GLU CA C 132 59.327 59.327 59.138 0.189 25439 14947 1 20 . 1 1 132 132 GLU CB C 132 29.421 29.421 29.392 0.029 25439 14948 1 20 . 1 1 132 132 GLU H H 132 8.099 8.099 7.572 0.527 25439 14949 1 20 . 1 1 133 133 ALA N N 133 121.302 121.302 121.790 -0.488 25439 14950 1 20 . 1 1 133 133 ALA HA H 133 4.053 4.053 3.938 0.115 25439 14951 1 20 . 1 1 133 133 ALA CA C 133 54.973 54.973 55.418 -0.445 25439 14952 1 20 . 1 1 133 133 ALA CB C 133 18.154 18.154 18.241 -0.087 25439 14953 1 20 . 1 1 133 133 ALA H H 133 7.795 7.795 7.527 0.268 25439 14954 1 20 . 1 1 134 134 ARG N N 134 118.757 118.757 118.491 0.266 25439 14955 1 20 . 1 1 134 134 ARG HA H 134 4.143 4.143 4.071 0.072 25439 14956 1 20 . 1 1 134 134 ARG CA C 134 59.438 59.438 58.669 0.769 25439 14957 1 20 . 1 1 134 134 ARG CB C 134 30.148 30.148 29.654 0.494 25439 14958 1 20 . 1 1 134 134 ARG H H 134 8.145 8.145 7.841 0.304 25439 14959 1 20 . 1 1 135 135 LYS N N 135 119.496 119.496 119.372 0.124 25439 14960 1 20 . 1 1 135 135 LYS HA H 135 4.073 4.073 4.178 -0.105 25439 14961 1 20 . 1 1 135 135 LYS CA C 135 59.327 59.327 58.729 0.598 25439 14962 1 20 . 1 1 135 135 LYS CB C 135 32.539 32.539 32.548 -0.009 25439 14963 1 20 . 1 1 135 135 LYS H H 135 8.036 8.036 7.485 0.551 25439 14964 1 20 . 1 1 136 136 LYS N N 136 116.645 116.645 117.194 -0.549 25439 14965 1 20 . 1 1 136 136 LYS HA H 136 4.362 4.362 4.428 -0.066 25439 14966 1 20 . 1 1 136 136 LYS CA C 136 56.575 56.575 55.434 1.141 25439 14967 1 20 . 1 1 136 136 LYS CB C 136 33.629 33.629 32.432 1.197 25439 14968 1 20 . 1 1 136 136 LYS H H 136 7.682 7.682 7.428 0.254 25439 14969 1 20 . 1 1 137 137 GLY N N 137 109.349 109.349 108.862 0.487 25439 14970 1 20 . 1 1 137 137 GLY CA C 137 46.358 46.358 46.214 0.144 25439 14971 1 20 . 1 1 137 137 GLY H H 137 8.064 8.064 7.717 0.347 25439 14972 1 20 . 1 1 138 138 THR N N 138 112.870 112.870 113.315 -0.445 25439 14973 1 20 . 1 1 138 138 THR HA H 138 4.735 4.735 4.636 0.099 25439 14974 1 20 . 1 1 138 138 THR CA C 138 59.308 59.308 60.616 -1.308 25439 14975 1 20 . 1 1 138 138 THR CB C 138 70.755 70.755 70.497 0.258 25439 14976 1 20 . 1 1 138 138 THR H H 138 8.111 8.111 8.087 0.024 25439 14977 1 20 . 1 1 139 139 GLN N N 139 118.177 118.177 119.604 -1.427 25439 14978 1 20 . 1 1 139 139 GLN HA H 139 4.609 4.609 4.705 -0.096 25439 14979 1 20 . 1 1 139 139 GLN CA C 139 54.435 54.435 55.395 -0.960 25439 14980 1 20 . 1 1 139 139 GLN CB C 139 30.777 30.777 30.755 0.022 25439 14981 1 20 . 1 1 139 139 GLN H H 139 8.227 8.227 8.339 -0.112 25439 14982 1 20 . 1 1 140 140 VAL N N 140 123.601 123.601 120.526 3.075 25439 14983 1 20 . 1 1 140 140 VAL HA H 140 3.790 3.790 4.419 -0.629 25439 14984 1 20 . 1 1 140 140 VAL CA C 140 63.934 63.934 61.480 2.454 25439 14985 1 20 . 1 1 140 140 VAL CB C 140 32.154 32.154 33.266 -1.112 25439 14986 1 20 . 1 1 140 140 VAL H H 140 8.839 8.839 8.228 0.611 25439 14987 1 20 . 1 1 141 141 SER HA H 141 4.524 4.524 4.683 -0.159 25439 14988 1 20 . 1 1 141 141 SER CA C 141 57.841 57.841 58.374 -0.533 25439 14989 1 20 . 1 1 141 141 SER CB C 141 64.174 64.174 64.134 0.040 25439 14990 1 20 . 1 1 142 142 PHE N N 142 123.726 123.726 125.844 -2.118 25439 14991 1 20 . 1 1 142 142 PHE HA H 142 4.458 4.458 4.877 -0.419 25439 14992 1 20 . 1 1 142 142 PHE CA C 142 58.673 58.673 57.949 0.724 25439 14993 1 20 . 1 1 142 142 PHE CB C 142 40.055 40.055 41.513 -1.458 25439 14994 1 20 . 1 1 142 142 PHE H H 142 7.534 7.534 8.238 -0.704 25439 14995 1 20 . 1 1 143 143 HIS N N 143 126.548 126.548 119.485 7.063 25439 14996 1 20 . 1 1 143 143 HIS HA H 143 4.336 4.336 4.364 -0.028 25439 14997 1 20 . 1 1 143 143 HIS CA C 143 56.837 56.837 56.228 0.609 25439 14998 1 20 . 1 1 143 143 HIS CB C 143 31.949 31.949 32.849 -0.899 25439 14999 1 20 . 1 1 143 143 HIS H H 143 8.308 8.308 7.478 0.830 25439 15000 1 20 . 1 1 144 144 GLN N N 144 115.094 115.094 115.597 -0.503 25439 15001 1 20 . 1 1 144 144 GLN HA H 144 4.433 4.433 4.726 -0.293 25439 15002 1 20 . 1 1 144 144 GLN CA C 144 54.210 54.210 53.238 0.972 25439 15003 1 20 . 1 1 144 144 GLN CB C 144 32.925 32.925 32.042 0.882 25439 15004 1 20 . 1 1 144 144 GLN H H 144 7.203 7.203 7.041 0.162 25439 15005 1 20 . 1 1 145 145 CYS N N 145 123.088 123.088 118.994 4.094 25439 15006 1 20 . 1 1 145 145 CYS HA H 145 4.961 4.961 5.066 -0.105 25439 15007 1 20 . 1 1 145 145 CYS CA C 145 57.978 57.978 57.063 0.915 25439 15008 1 20 . 1 1 145 145 CYS CB C 145 33.555 33.555 29.821 3.734 25439 15009 1 20 . 1 1 145 145 CYS H H 145 8.668 8.668 8.423 0.245 25439 15010 1 20 . 1 1 146 146 VAL N N 146 113.265 113.265 118.293 -5.028 25439 15011 1 20 . 1 1 146 146 VAL HA H 146 4.238 4.238 4.198 0.040 25439 15012 1 20 . 1 1 146 146 VAL CA C 146 64.001 64.001 64.797 -0.796 25439 15013 1 20 . 1 1 146 146 VAL CB C 146 32.157 32.157 31.762 0.395 25439 15014 1 20 . 1 1 146 146 VAL H H 146 8.198 8.198 8.368 -0.170 25439 15015 1 20 . 1 1 147 147 HIS N N 147 120.556 120.556 119.190 1.366 25439 15016 1 20 . 1 1 147 147 HIS HA H 147 4.604 4.604 4.316 0.288 25439 15017 1 20 . 1 1 147 147 HIS CA C 147 58.708 58.708 58.287 0.421 25439 15018 1 20 . 1 1 147 147 HIS CB C 147 32.204 32.204 29.227 2.977 25439 15019 1 20 . 1 1 147 147 HIS H H 147 7.151 7.151 8.318 -1.167 25439 15020 1 20 . 1 1 148 148 CYS N N 148 112.110 112.110 112.221 -0.111 25439 15021 1 20 . 1 1 148 148 CYS HA H 148 4.889 4.889 4.709 0.180 25439 15022 1 20 . 1 1 148 148 CYS CA C 148 57.952 57.952 55.735 2.217 25439 15023 1 20 . 1 1 148 148 CYS CB C 148 32.956 32.956 30.231 2.725 25439 15024 1 20 . 1 1 148 148 CYS H H 148 7.413 7.413 7.239 0.174 25439 15025 1 20 . 1 1 149 149 GLY N N 149 112.797 112.797 108.180 4.617 25439 15026 1 20 . 1 1 149 149 GLY CA C 149 45.327 45.327 44.377 0.950 25439 15027 1 20 . 1 1 149 149 GLY H H 149 6.949 6.949 8.310 -1.361 25439 15028 1 20 . 1 1 150 150 CYS N N 150 127.277 127.277 119.637 7.640 25439 15029 1 20 . 1 1 150 150 CYS HA H 150 3.932 3.932 4.543 -0.611 25439 15030 1 20 . 1 1 150 150 CYS CA C 150 61.362 61.362 57.236 4.125 25439 15031 1 20 . 1 1 150 150 CYS CB C 150 30.632 30.632 29.648 0.984 25439 15032 1 20 . 1 1 150 150 CYS H H 150 8.240 8.240 7.133 1.107 25439 15033 1 20 . 1 1 151 151 ARG N N 151 125.476 125.476 126.816 -1.340 25439 15034 1 20 . 1 1 151 151 ARG HA H 151 4.775 4.775 4.318 0.457 25439 15035 1 20 . 1 1 151 151 ARG CA C 151 56.164 56.164 55.118 1.046 25439 15036 1 20 . 1 1 151 151 ARG CB C 151 30.354 30.354 29.238 1.116 25439 15037 1 20 . 1 1 151 151 ARG H H 151 8.492 8.492 8.671 -0.179 25439 15038 1 20 . 1 1 152 152 GLY N N 152 117.275 117.275 108.272 9.003 25439 15039 1 20 . 1 1 152 152 GLY CA C 152 45.523 45.523 45.450 0.073 25439 15040 1 20 . 1 1 152 152 GLY H H 152 9.812 9.812 7.697 2.115 25439 15041 1 20 . 1 1 153 153 CYS N N 153 126.187 126.187 118.994 7.193 25439 15042 1 20 . 1 1 153 153 CYS HA H 153 4.842 4.842 4.785 0.057 25439 15043 1 20 . 1 1 153 153 CYS CA C 153 57.130 57.130 55.757 1.373 25439 15044 1 20 . 1 1 153 153 CYS CB C 153 31.368 31.368 27.785 3.583 25439 15045 1 20 . 1 1 153 153 CYS H H 153 8.930 8.930 8.141 0.789 25439 15046 1 20 . 1 1 154 154 ALA N N 154 125.869 125.869 125.551 0.318 25439 15047 1 20 . 1 1 154 154 ALA HA H 154 4.159 4.159 5.056 -0.897 25439 15048 1 20 . 1 1 154 154 ALA CA C 154 53.187 53.187 51.239 1.948 25439 15049 1 20 . 1 1 154 154 ALA CB C 154 18.937 18.937 21.410 -2.473 25439 15050 1 20 . 1 1 154 154 ALA H H 154 8.616 8.616 8.494 0.122 25439 15051 1 20 . 1 1 155 155 SER N N 155 116.724 116.724 118.394 -1.670 25439 15052 1 20 . 1 1 155 155 SER HA H 155 4.283 4.283 4.623 -0.340 25439 15053 1 20 . 1 1 155 155 SER CA C 155 60.136 60.136 58.655 1.481 25439 15054 1 20 . 1 1 155 155 SER CB C 155 63.575 63.575 63.623 -0.048 25439 15055 1 20 . 1 1 155 155 SER H H 155 9.358 9.358 8.820 0.538 25439 15056 1 20 . 1 1 156 156 THR N N 156 111.893 111.893 110.994 0.899 25439 15057 1 20 . 1 1 156 156 THR HA H 156 4.358 4.358 4.398 -0.040 25439 15058 1 20 . 1 1 156 156 THR CA C 156 61.264 61.264 62.478 -1.214 25439 15059 1 20 . 1 1 156 156 THR CB C 156 69.999 69.999 70.011 -0.012 25439 15060 1 20 . 1 1 156 156 THR H H 156 7.638 7.638 7.836 -0.198 25439 15061 1 21 . 1 1 0 0 GLY CA C 0 43.750 43.750 44.702 -0.952 25439 15062 1 21 . 1 1 1 1 SER N N 1 117.201 117.201 118.683 -1.482 25439 15063 1 21 . 1 1 1 1 SER HA H 1 4.809 4.809 4.814 -0.005 25439 15064 1 21 . 1 1 1 1 SER CA C 1 56.525 56.525 55.304 1.221 25439 15065 1 21 . 1 1 1 1 SER CB C 1 63.385 63.385 63.707 -0.322 25439 15066 1 21 . 1 1 1 1 SER H H 1 8.381 8.381 8.562 -0.181 25439 15067 1 21 . 1 1 2 2 PRO HA H 2 4.468 4.468 4.538 -0.070 25439 15068 1 21 . 1 1 2 2 PRO CA C 2 63.292 63.292 62.966 0.326 25439 15069 1 21 . 1 1 2 2 PRO CB C 2 32.174 32.174 32.057 0.117 25439 15070 1 21 . 1 1 3 3 ARG N N 3 121.649 121.649 123.954 -2.305 25439 15071 1 21 . 1 1 3 3 ARG HA H 3 4.324 4.324 4.614 -0.290 25439 15072 1 21 . 1 1 3 3 ARG CA C 3 56.226 56.226 55.722 0.504 25439 15073 1 21 . 1 1 3 3 ARG CB C 3 30.732 30.732 30.655 0.077 25439 15074 1 21 . 1 1 3 3 ARG H H 3 8.428 8.428 8.484 -0.056 25439 15075 1 21 . 1 1 4 4 ILE N N 4 122.500 122.500 124.404 -1.904 25439 15076 1 21 . 1 1 4 4 ILE HA H 4 4.181 4.181 4.369 -0.188 25439 15077 1 21 . 1 1 4 4 ILE CA C 4 60.943 60.943 61.126 -0.183 25439 15078 1 21 . 1 1 4 4 ILE CB C 4 38.751 38.751 39.971 -1.220 25439 15079 1 21 . 1 1 4 4 ILE H H 4 8.165 8.165 8.482 -0.317 25439 15080 1 21 . 1 1 5 5 LYS N N 5 126.237 126.237 125.369 0.868 25439 15081 1 21 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.471 -0.069 25439 15082 1 21 . 1 1 5 5 LYS CA C 5 56.422 56.422 56.402 0.020 25439 15083 1 21 . 1 1 5 5 LYS CB C 5 33.130 33.130 32.879 0.251 25439 15084 1 21 . 1 1 5 5 LYS H H 5 8.500 8.500 8.498 0.002 25439 15085 1 21 . 1 1 6 6 THR N N 6 116.495 116.495 113.499 2.996 25439 15086 1 21 . 1 1 6 6 THR HA H 6 4.323 4.323 4.542 -0.219 25439 15087 1 21 . 1 1 6 6 THR CA C 6 61.918 61.918 61.412 0.506 25439 15088 1 21 . 1 1 6 6 THR CB C 6 69.963 69.963 69.610 0.353 25439 15089 1 21 . 1 1 6 6 THR H H 6 8.194 8.194 7.759 0.435 25439 15090 1 21 . 1 1 7 7 ARG N N 7 124.128 124.128 125.717 -1.589 25439 15091 1 21 . 1 1 7 7 ARG HA H 7 4.396 4.396 4.548 -0.152 25439 15092 1 21 . 1 1 7 7 ARG CA C 7 56.128 56.128 55.858 0.270 25439 15093 1 21 . 1 1 7 7 ARG CB C 7 30.953 30.953 31.220 -0.267 25439 15094 1 21 . 1 1 7 7 ARG H H 7 8.458 8.458 8.574 -0.116 25439 15095 1 21 . 1 1 8 8 ARG N N 8 123.384 123.384 122.698 0.686 25439 15096 1 21 . 1 1 8 8 ARG HA H 8 4.424 4.424 4.623 -0.199 25439 15097 1 21 . 1 1 8 8 ARG CA C 8 56.011 56.011 56.316 -0.305 25439 15098 1 21 . 1 1 8 8 ARG CB C 8 31.058 31.058 30.489 0.569 25439 15099 1 21 . 1 1 8 8 ARG H H 8 8.526 8.526 8.767 -0.241 25439 15100 1 21 . 1 1 9 9 SER N N 9 118.446 118.446 116.551 1.895 25439 15101 1 21 . 1 1 9 9 SER HA H 9 4.473 4.473 4.534 -0.061 25439 15102 1 21 . 1 1 9 9 SER CA C 9 58.568 58.568 58.680 -0.112 25439 15103 1 21 . 1 1 9 9 SER CB C 9 63.986 63.986 63.204 0.782 25439 15104 1 21 . 1 1 9 9 SER H H 9 8.450 8.450 8.567 -0.117 25439 15105 1 21 . 1 1 10 10 LYS N N 10 124.117 124.117 123.999 0.118 25439 15106 1 21 . 1 1 10 10 LYS HA H 10 4.673 4.673 4.905 -0.232 25439 15107 1 21 . 1 1 10 10 LYS CA C 10 54.412 54.412 53.666 0.746 25439 15108 1 21 . 1 1 10 10 LYS CB C 10 32.693 32.693 33.766 -1.073 25439 15109 1 21 . 1 1 10 10 LYS H H 10 8.426 8.426 8.370 0.056 25439 15110 1 21 . 1 1 11 11 PRO HA H 11 4.360 4.360 4.492 -0.132 25439 15111 1 21 . 1 1 11 11 PRO CA C 11 62.861 62.861 62.511 0.350 25439 15112 1 21 . 1 1 11 11 PRO CB C 11 32.106 32.106 32.603 -0.497 25439 15113 1 21 . 1 1 12 12 ALA N N 12 124.420 124.420 122.981 1.439 25439 15114 1 21 . 1 1 12 12 ALA HA H 12 2.889 2.889 3.321 -0.432 25439 15115 1 21 . 1 1 12 12 ALA CA C 12 49.735 49.735 48.714 1.021 25439 15116 1 21 . 1 1 12 12 ALA CB C 12 18.066 18.066 17.294 0.772 25439 15117 1 21 . 1 1 12 12 ALA H H 12 7.890 7.890 7.753 0.137 25439 15118 1 21 . 1 1 13 13 PRO HA H 13 4.207 4.207 4.451 -0.244 25439 15119 1 21 . 1 1 13 13 PRO CA C 13 62.111 62.111 61.933 0.178 25439 15120 1 21 . 1 1 13 13 PRO CB C 13 32.582 32.582 32.538 0.044 25439 15121 1 21 . 1 1 14 14 ASP N N 14 119.535 119.535 120.140 -0.605 25439 15122 1 21 . 1 1 14 14 ASP HA H 14 4.379 4.379 4.287 0.092 25439 15123 1 21 . 1 1 14 14 ASP CA C 14 56.427 56.427 57.400 -0.973 25439 15124 1 21 . 1 1 14 14 ASP CB C 14 41.177 41.177 40.773 0.404 25439 15125 1 21 . 1 1 14 14 ASP H H 14 8.206 8.206 8.640 -0.434 25439 15126 1 21 . 1 1 15 15 GLY N N 15 113.273 113.273 107.732 5.541 25439 15127 1 21 . 1 1 15 15 GLY CA C 15 45.146 45.146 46.696 -1.550 25439 15128 1 21 . 1 1 15 15 GLY H H 15 8.723 8.723 8.449 0.274 25439 15129 1 21 . 1 1 16 16 PHE N N 16 123.113 123.113 122.747 0.366 25439 15130 1 21 . 1 1 16 16 PHE HA H 16 4.125 4.125 4.272 -0.147 25439 15131 1 21 . 1 1 16 16 PHE CA C 16 60.715 60.715 59.497 1.218 25439 15132 1 21 . 1 1 16 16 PHE CB C 16 39.639 39.639 39.158 0.481 25439 15133 1 21 . 1 1 16 16 PHE H H 16 8.127 8.127 8.314 -0.187 25439 15134 1 21 . 1 1 17 17 GLU N N 17 115.695 115.695 119.324 -3.629 25439 15135 1 21 . 1 1 17 17 GLU HA H 17 3.768 3.768 3.884 -0.116 25439 15136 1 21 . 1 1 17 17 GLU CA C 17 59.234 59.234 59.435 -0.201 25439 15137 1 21 . 1 1 17 17 GLU CB C 17 28.495 28.495 29.331 -0.836 25439 15138 1 21 . 1 1 17 17 GLU H H 17 9.088 9.088 8.112 0.976 25439 15139 1 21 . 1 1 18 18 LYS N N 18 115.887 115.887 117.498 -1.611 25439 15140 1 21 . 1 1 18 18 LYS HA H 18 4.165 4.165 4.077 0.088 25439 15141 1 21 . 1 1 18 18 LYS CA C 18 58.249 58.249 58.689 -0.440 25439 15142 1 21 . 1 1 18 18 LYS CB C 18 32.725 32.725 32.816 -0.091 25439 15143 1 21 . 1 1 18 18 LYS H H 18 7.285 7.285 7.799 -0.514 25439 15144 1 21 . 1 1 19 19 ILE N N 19 110.277 110.277 110.864 -0.587 25439 15145 1 21 . 1 1 19 19 ILE HA H 19 4.722 4.722 4.678 0.044 25439 15146 1 21 . 1 1 19 19 ILE CA C 19 61.093 61.093 60.069 1.024 25439 15147 1 21 . 1 1 19 19 ILE CB C 19 39.139 39.139 38.170 0.969 25439 15148 1 21 . 1 1 19 19 ILE H H 19 7.031 7.031 7.521 -0.490 25439 15149 1 21 . 1 1 20 20 LYS N N 20 124.540 124.540 122.376 2.164 25439 15150 1 21 . 1 1 20 20 LYS HA H 20 3.603 3.603 3.723 -0.120 25439 15151 1 21 . 1 1 20 20 LYS CA C 20 60.917 60.917 60.278 0.639 25439 15152 1 21 . 1 1 20 20 LYS CB C 20 30.210 30.210 30.754 -0.544 25439 15153 1 21 . 1 1 20 20 LYS H H 20 7.666 7.666 7.365 0.301 25439 15154 1 21 . 1 1 21 21 PRO HA H 21 4.292 4.292 4.544 -0.252 25439 15155 1 21 . 1 1 21 21 PRO CA C 21 66.990 66.990 65.322 1.668 25439 15156 1 21 . 1 1 21 21 PRO CB C 21 30.779 30.779 31.521 -0.742 25439 15157 1 21 . 1 1 22 22 THR N N 22 114.917 114.917 115.397 -0.480 25439 15158 1 21 . 1 1 22 22 THR HA H 22 3.866 3.866 4.059 -0.193 25439 15159 1 21 . 1 1 22 22 THR CA C 22 66.575 66.575 66.559 0.016 25439 15160 1 21 . 1 1 22 22 THR CB C 22 68.731 68.731 68.514 0.217 25439 15161 1 21 . 1 1 22 22 THR H H 22 7.331 7.331 8.247 -0.916 25439 15162 1 21 . 1 1 23 23 LEU N N 23 120.152 120.152 120.359 -0.207 25439 15163 1 21 . 1 1 23 23 LEU HA H 23 4.397 4.397 3.965 0.432 25439 15164 1 21 . 1 1 23 23 LEU CA C 23 58.740 58.740 57.793 0.947 25439 15165 1 21 . 1 1 23 23 LEU CB C 23 40.489 40.489 41.879 -1.390 25439 15166 1 21 . 1 1 23 23 LEU H H 23 7.991 7.991 7.521 0.470 25439 15167 1 21 . 1 1 24 24 THR N N 24 119.365 119.365 115.022 4.343 25439 15168 1 21 . 1 1 24 24 THR HA H 24 4.095 4.095 3.967 0.128 25439 15169 1 21 . 1 1 24 24 THR CA C 24 66.834 66.834 66.117 0.717 25439 15170 1 21 . 1 1 24 24 THR CB C 24 68.614 68.614 68.140 0.474 25439 15171 1 21 . 1 1 24 24 THR H H 24 9.175 9.175 7.597 1.578 25439 15172 1 21 . 1 1 25 25 ASP N N 25 122.865 122.865 121.558 1.307 25439 15173 1 21 . 1 1 25 25 ASP HA H 25 4.483 4.483 4.407 0.076 25439 15174 1 21 . 1 1 25 25 ASP CA C 25 58.158 58.158 57.527 0.631 25439 15175 1 21 . 1 1 25 25 ASP CB C 25 40.329 40.329 40.546 -0.217 25439 15176 1 21 . 1 1 25 25 ASP H H 25 7.714 7.714 7.758 -0.043 25439 15177 1 21 . 1 1 26 26 PHE N N 26 116.182 116.182 119.011 -2.829 25439 15178 1 21 . 1 1 26 26 PHE HA H 26 4.457 4.457 4.184 0.273 25439 15179 1 21 . 1 1 26 26 PHE CA C 26 62.531 62.531 61.824 0.707 25439 15180 1 21 . 1 1 26 26 PHE CB C 26 39.468 39.468 38.921 0.547 25439 15181 1 21 . 1 1 26 26 PHE H H 26 7.816 7.816 7.926 -0.110 25439 15182 1 21 . 1 1 27 27 GLU N N 27 120.107 120.107 117.726 2.381 25439 15183 1 21 . 1 1 27 27 GLU HA H 27 4.113 4.113 4.057 0.056 25439 15184 1 21 . 1 1 27 27 GLU CA C 27 59.852 59.852 59.276 0.576 25439 15185 1 21 . 1 1 27 27 GLU CB C 27 29.692 29.692 29.357 0.335 25439 15186 1 21 . 1 1 27 27 GLU H H 27 8.068 8.068 8.109 -0.041 25439 15187 1 21 . 1 1 28 28 ILE N N 28 121.494 121.494 118.413 3.081 25439 15188 1 21 . 1 1 28 28 ILE HA H 28 3.718 3.718 3.922 -0.204 25439 15189 1 21 . 1 1 28 28 ILE CA C 28 65.002 65.002 64.285 0.717 25439 15190 1 21 . 1 1 28 28 ILE CB C 28 38.023 38.023 38.337 -0.314 25439 15191 1 21 . 1 1 28 28 ILE H H 28 8.531 8.531 7.738 0.793 25439 15192 1 21 . 1 1 29 29 GLN N N 29 118.941 118.941 119.947 -1.006 25439 15193 1 21 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.170 0.010 25439 15194 1 21 . 1 1 29 29 GLN CA C 29 59.507 59.507 58.681 0.826 25439 15195 1 21 . 1 1 29 29 GLN CB C 29 29.783 29.783 28.461 1.322 25439 15196 1 21 . 1 1 29 29 GLN H H 29 8.117 8.117 7.521 0.596 25439 15197 1 21 . 1 1 30 30 LEU N N 30 121.724 121.724 120.333 1.391 25439 15198 1 21 . 1 1 30 30 LEU HA H 30 4.032 4.032 4.152 -0.120 25439 15199 1 21 . 1 1 30 30 LEU CA C 30 58.333 58.333 57.670 0.663 25439 15200 1 21 . 1 1 30 30 LEU CB C 30 42.339 42.339 42.076 0.263 25439 15201 1 21 . 1 1 30 30 LEU H H 30 8.677 8.677 8.688 -0.011 25439 15202 1 21 . 1 1 31 31 ARG N N 31 120.629 120.629 118.662 1.967 25439 15203 1 21 . 1 1 31 31 ARG HA H 31 4.105 4.105 4.051 0.054 25439 15204 1 21 . 1 1 31 31 ARG CA C 31 59.340 59.340 59.229 0.111 25439 15205 1 21 . 1 1 31 31 ARG CB C 31 30.044 30.044 29.354 0.690 25439 15206 1 21 . 1 1 31 31 ARG H H 31 8.227 8.227 7.939 0.288 25439 15207 1 21 . 1 1 32 32 ASP N N 32 120.233 120.233 121.356 -1.123 25439 15208 1 21 . 1 1 32 32 ASP HA H 32 4.484 4.484 4.404 0.080 25439 15209 1 21 . 1 1 32 32 ASP CA C 32 57.199 57.199 57.761 -0.562 25439 15210 1 21 . 1 1 32 32 ASP CB C 32 40.202 40.202 40.173 0.029 25439 15211 1 21 . 1 1 32 32 ASP H H 32 8.407 8.407 7.797 0.610 25439 15212 1 21 . 1 1 33 33 ALA N N 33 121.939 121.939 122.065 -0.126 25439 15213 1 21 . 1 1 33 33 ALA HA H 33 4.321 4.321 4.087 0.234 25439 15214 1 21 . 1 1 33 33 ALA CA C 33 54.207 54.207 55.120 -0.913 25439 15215 1 21 . 1 1 33 33 ALA CB C 33 18.738 18.738 18.402 0.336 25439 15216 1 21 . 1 1 33 33 ALA H H 33 8.057 8.057 7.530 0.527 25439 15217 1 21 . 1 1 34 34 GLN N N 34 114.736 114.736 117.291 -2.555 25439 15218 1 21 . 1 1 34 34 GLN HA H 34 4.248 4.248 4.052 0.196 25439 15219 1 21 . 1 1 34 34 GLN CA C 34 56.567 56.567 58.857 -2.290 25439 15220 1 21 . 1 1 34 34 GLN CB C 34 29.743 29.743 28.878 0.865 25439 15221 1 21 . 1 1 34 34 GLN H H 34 7.746 7.746 8.091 -0.345 25439 15222 1 21 . 1 1 35 35 LYS N N 35 120.534 120.534 118.097 2.437 25439 15223 1 21 . 1 1 35 35 LYS HA H 35 4.232 4.232 4.225 0.007 25439 15224 1 21 . 1 1 35 35 LYS CA C 35 57.427 57.427 58.439 -1.012 25439 15225 1 21 . 1 1 35 35 LYS CB C 35 32.887 32.887 32.697 0.190 25439 15226 1 21 . 1 1 35 35 LYS H H 35 7.570 7.570 7.891 -0.321 25439 15227 1 21 . 1 1 36 36 ASP N N 36 120.943 120.943 120.307 0.636 25439 15228 1 21 . 1 1 36 36 ASP HA H 36 4.595 4.595 4.356 0.239 25439 15229 1 21 . 1 1 36 36 ASP CA C 36 54.983 54.983 57.282 -2.299 25439 15230 1 21 . 1 1 36 36 ASP CB C 36 41.129 41.129 41.163 -0.034 25439 15231 1 21 . 1 1 36 36 ASP H H 36 8.375 8.375 8.362 0.013 25439 15232 1 21 . 1 1 37 37 LYS N N 37 122.598 122.598 117.846 4.752 25439 15233 1 21 . 1 1 37 37 LYS HA H 37 4.365 4.365 4.076 0.289 25439 15234 1 21 . 1 1 37 37 LYS CA C 37 56.725 56.725 58.679 -1.954 25439 15235 1 21 . 1 1 37 37 LYS CB C 37 32.823 32.823 32.684 0.139 25439 15236 1 21 . 1 1 37 37 LYS H H 37 8.446 8.446 7.314 1.132 25439 15237 1 21 . 1 1 38 38 SER N N 38 115.849 115.849 112.304 3.545 25439 15238 1 21 . 1 1 38 38 SER HA H 38 4.423 4.423 4.606 -0.183 25439 15239 1 21 . 1 1 38 38 SER CA C 38 59.193 59.193 57.731 1.462 25439 15240 1 21 . 1 1 38 38 SER CB C 38 63.744 63.744 62.658 1.086 25439 15241 1 21 . 1 1 38 38 SER H H 38 8.392 8.392 7.596 0.796 25439 15242 1 21 . 1 1 39 39 SER N N 39 117.258 117.258 116.177 1.081 25439 15243 1 21 . 1 1 39 39 SER HA H 39 4.445 4.445 4.564 -0.119 25439 15244 1 21 . 1 1 39 39 SER CA C 39 58.933 58.933 59.573 -0.640 25439 15245 1 21 . 1 1 39 39 SER CB C 39 63.711 63.711 63.882 -0.171 25439 15246 1 21 . 1 1 39 39 SER H H 39 8.283 8.283 7.841 0.442 25439 15247 1 21 . 1 1 40 40 LYS N N 40 122.427 122.427 121.636 0.791 25439 15248 1 21 . 1 1 40 40 LYS HA H 40 4.321 4.321 4.354 -0.033 25439 15249 1 21 . 1 1 40 40 LYS CA C 40 56.847 56.847 56.450 0.397 25439 15250 1 21 . 1 1 40 40 LYS CB C 40 32.764 32.764 33.666 -0.902 25439 15251 1 21 . 1 1 40 40 LYS H H 40 8.263 8.263 7.735 0.528 25439 15252 1 21 . 1 1 41 41 LEU N N 41 121.281 121.281 120.112 1.169 25439 15253 1 21 . 1 1 41 41 LEU HA H 41 4.308 4.308 3.959 0.348 25439 15254 1 21 . 1 1 41 41 LEU CA C 41 55.335 55.335 55.145 0.190 25439 15255 1 21 . 1 1 41 41 LEU CB C 41 42.212 42.212 41.082 1.130 25439 15256 1 21 . 1 1 41 41 LEU H H 41 8.068 8.068 7.703 0.365 25439 15257 1 21 . 1 1 42 42 ALA N N 42 123.964 123.964 127.585 -3.621 25439 15258 1 21 . 1 1 42 42 ALA HA H 42 4.274 4.274 4.523 -0.249 25439 15259 1 21 . 1 1 42 42 ALA CA C 42 52.851 52.851 51.567 1.284 25439 15260 1 21 . 1 1 42 42 ALA CB C 42 19.135 19.135 20.711 -1.576 25439 15261 1 21 . 1 1 42 42 ALA H H 42 8.111 8.111 8.279 -0.168 25439 15262 1 21 . 1 1 43 43 ALA N N 43 122.146 122.146 121.269 0.877 25439 15263 1 21 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.582 -0.285 25439 15264 1 21 . 1 1 43 43 ALA CA C 43 52.727 52.727 51.625 1.102 25439 15265 1 21 . 1 1 43 43 ALA CB C 43 19.318 19.318 19.425 -0.107 25439 15266 1 21 . 1 1 43 43 ALA H H 43 8.101 8.101 8.000 0.101 25439 15267 1 21 . 1 1 44 44 LYS N N 44 119.454 119.454 118.514 0.940 25439 15268 1 21 . 1 1 44 44 LYS HA H 44 4.349 4.349 3.994 0.355 25439 15269 1 21 . 1 1 44 44 LYS CA C 44 56.267 56.267 56.730 -0.463 25439 15270 1 21 . 1 1 44 44 LYS CB C 44 32.825 32.825 31.287 1.538 25439 15271 1 21 . 1 1 44 44 LYS H H 44 8.198 8.198 8.357 -0.159 25439 15272 1 21 . 1 1 45 45 SER N N 45 116.660 116.660 114.599 2.061 25439 15273 1 21 . 1 1 45 45 SER HA H 45 4.368 4.368 4.407 -0.039 25439 15274 1 21 . 1 1 45 45 SER CA C 45 58.477 58.477 59.659 -1.182 25439 15275 1 21 . 1 1 45 45 SER CB C 45 64.063 64.063 63.493 0.570 25439 15276 1 21 . 1 1 45 45 SER H H 45 8.251 8.251 8.260 -0.009 25439 15277 1 21 . 1 1 46 46 ASN N N 46 120.516 120.516 119.950 0.566 25439 15278 1 21 . 1 1 46 46 ASN HA H 46 4.361 4.361 4.270 0.091 25439 15279 1 21 . 1 1 46 46 ASN CA C 46 54.657 54.657 55.635 -0.978 25439 15280 1 21 . 1 1 46 46 ASN CB C 46 37.649 37.649 37.769 -0.120 25439 15281 1 21 . 1 1 46 46 ASN H H 46 8.498 8.498 8.488 0.010 25439 15282 1 21 . 1 1 47 47 GLU N N 47 117.964 117.964 117.476 0.488 25439 15283 1 21 . 1 1 47 47 GLU HA H 47 3.350 3.350 3.024 0.326 25439 15284 1 21 . 1 1 47 47 GLU CA C 47 59.213 59.213 59.175 0.038 25439 15285 1 21 . 1 1 47 47 GLU CB C 47 28.998 28.998 29.011 -0.013 25439 15286 1 21 . 1 1 47 47 GLU H H 47 8.016 8.016 8.349 -0.333 25439 15287 1 21 . 1 1 48 48 GLN N N 48 119.468 119.468 118.740 0.728 25439 15288 1 21 . 1 1 48 48 GLN HA H 48 4.250 4.250 4.047 0.203 25439 15289 1 21 . 1 1 48 48 GLN CA C 48 58.529 58.529 58.458 0.071 25439 15290 1 21 . 1 1 48 48 GLN CB C 48 28.902 28.902 27.912 0.990 25439 15291 1 21 . 1 1 48 48 GLN H H 48 7.892 7.892 7.474 0.418 25439 15292 1 21 . 1 1 49 49 LEU N N 49 120.145 120.145 118.799 1.346 25439 15293 1 21 . 1 1 49 49 LEU HA H 49 4.232 4.232 3.986 0.246 25439 15294 1 21 . 1 1 49 49 LEU CA C 49 57.479 57.479 57.922 -0.443 25439 15295 1 21 . 1 1 49 49 LEU CB C 49 41.391 41.391 41.602 -0.211 25439 15296 1 21 . 1 1 49 49 LEU H H 49 7.699 7.699 7.329 0.370 25439 15297 1 21 . 1 1 50 50 TRP N N 50 119.596 119.596 117.873 1.723 25439 15298 1 21 . 1 1 50 50 TRP HA H 50 4.520 4.520 4.488 0.032 25439 15299 1 21 . 1 1 50 50 TRP CA C 50 58.353 58.353 57.535 0.818 25439 15300 1 21 . 1 1 50 50 TRP CB C 50 28.880 28.880 27.920 0.960 25439 15301 1 21 . 1 1 50 50 TRP H H 50 8.385 8.385 7.286 1.099 25439 15302 1 21 . 1 1 51 51 GLU N N 51 119.362 119.362 118.194 1.168 25439 15303 1 21 . 1 1 51 51 GLU HA H 51 4.145 4.145 4.123 0.022 25439 15304 1 21 . 1 1 51 51 GLU CA C 51 60.035 60.035 59.608 0.428 25439 15305 1 21 . 1 1 51 51 GLU CB C 51 29.675 29.675 29.025 0.650 25439 15306 1 21 . 1 1 51 51 GLU H H 51 8.223 8.223 7.799 0.424 25439 15307 1 21 . 1 1 52 52 ILE N N 52 119.018 119.018 120.056 -1.038 25439 15308 1 21 . 1 1 52 52 ILE HA H 52 3.673 3.673 3.721 -0.048 25439 15309 1 21 . 1 1 52 52 ILE CA C 52 65.511 65.511 65.263 0.248 25439 15310 1 21 . 1 1 52 52 ILE CB C 52 38.532 38.532 38.018 0.514 25439 15311 1 21 . 1 1 52 52 ILE H H 52 7.801 7.801 7.613 0.188 25439 15312 1 21 . 1 1 53 53 MET N N 53 118.133 118.133 116.734 1.399 25439 15313 1 21 . 1 1 53 53 MET HA H 53 4.452 4.452 4.064 0.388 25439 15314 1 21 . 1 1 53 53 MET CA C 53 58.216 58.216 58.695 -0.479 25439 15315 1 21 . 1 1 53 53 MET CB C 53 31.838 31.838 31.915 -0.077 25439 15316 1 21 . 1 1 53 53 MET H H 53 8.411 8.411 7.488 0.923 25439 15317 1 21 . 1 1 54 54 GLN N N 54 120.855 120.855 118.745 2.110 25439 15318 1 21 . 1 1 54 54 GLN HA H 54 4.333 4.333 4.096 0.237 25439 15319 1 21 . 1 1 54 54 GLN CA C 54 59.004 59.004 58.677 0.327 25439 15320 1 21 . 1 1 54 54 GLN CB C 54 27.824 27.824 28.864 -1.040 25439 15321 1 21 . 1 1 54 54 GLN H H 54 8.860 8.860 8.599 0.261 25439 15322 1 21 . 1 1 55 55 LEU N N 55 122.788 122.788 120.034 2.754 25439 15323 1 21 . 1 1 55 55 LEU HA H 55 4.302 4.302 4.181 0.121 25439 15324 1 21 . 1 1 55 55 LEU CA C 55 58.685 58.685 57.957 0.728 25439 15325 1 21 . 1 1 55 55 LEU CB C 55 42.695 42.695 41.732 0.963 25439 15326 1 21 . 1 1 55 55 LEU H H 55 8.298 8.298 8.130 0.169 25439 15327 1 21 . 1 1 56 56 HIS N N 56 118.426 118.426 118.215 0.211 25439 15328 1 21 . 1 1 56 56 HIS HA H 56 4.317 4.317 4.220 0.097 25439 15329 1 21 . 1 1 56 56 HIS CA C 56 60.732 60.732 59.702 1.030 25439 15330 1 21 . 1 1 56 56 HIS CB C 56 30.530 30.530 29.401 1.129 25439 15331 1 21 . 1 1 56 56 HIS H H 56 8.416 8.416 7.807 0.609 25439 15332 1 21 . 1 1 57 57 HIS N N 57 121.197 121.197 119.374 1.823 25439 15333 1 21 . 1 1 57 57 HIS HA H 57 4.318 4.318 4.463 -0.145 25439 15334 1 21 . 1 1 57 57 HIS CA C 57 60.739 60.739 58.714 2.025 25439 15335 1 21 . 1 1 57 57 HIS CB C 57 28.726 28.726 30.109 -1.383 25439 15336 1 21 . 1 1 57 57 HIS H H 57 8.608 8.608 8.185 0.423 25439 15337 1 21 . 1 1 58 58 GLN N N 58 118.739 118.739 118.954 -0.215 25439 15338 1 21 . 1 1 58 58 GLN HA H 58 4.202 4.202 4.227 -0.025 25439 15339 1 21 . 1 1 58 58 GLN CA C 58 59.507 59.507 59.249 0.258 25439 15340 1 21 . 1 1 58 58 GLN CB C 58 29.111 29.111 28.727 0.384 25439 15341 1 21 . 1 1 58 58 GLN H H 58 9.206 9.206 8.156 1.050 25439 15342 1 21 . 1 1 59 59 ARG N N 59 122.498 122.498 120.407 2.091 25439 15343 1 21 . 1 1 59 59 ARG HA H 59 3.437 3.437 3.731 -0.294 25439 15344 1 21 . 1 1 59 59 ARG CA C 59 60.361 60.361 59.241 1.120 25439 15345 1 21 . 1 1 59 59 ARG H H 59 8.623 8.623 8.352 0.271 25439 15346 1 21 . 1 1 60 60 SER N N 60 114.930 114.930 115.446 -0.516 25439 15347 1 21 . 1 1 60 60 SER HA H 60 4.515 4.515 4.168 0.347 25439 15348 1 21 . 1 1 60 60 SER CA C 60 64.832 64.832 61.540 3.292 25439 15349 1 21 . 1 1 60 60 SER CB C 60 63.583 63.583 62.946 0.637 25439 15350 1 21 . 1 1 60 60 SER H H 60 7.993 7.993 8.559 -0.566 25439 15351 1 21 . 1 1 61 61 ARG N N 61 124.417 124.417 122.635 1.782 25439 15352 1 21 . 1 1 61 61 ARG HA H 61 4.204 4.204 4.135 0.069 25439 15353 1 21 . 1 1 61 61 ARG CA C 61 58.852 58.852 59.602 -0.750 25439 15354 1 21 . 1 1 61 61 ARG CB C 61 29.077 29.077 30.224 -1.147 25439 15355 1 21 . 1 1 61 61 ARG H H 61 9.569 9.569 8.812 0.757 25439 15356 1 21 . 1 1 62 62 TYR N N 62 124.484 124.484 121.134 3.350 25439 15357 1 21 . 1 1 62 62 TYR HA H 62 4.676 4.676 4.280 0.396 25439 15358 1 21 . 1 1 62 62 TYR CA C 62 61.006 61.006 62.004 -0.998 25439 15359 1 21 . 1 1 62 62 TYR CB C 62 38.392 38.392 38.659 -0.267 25439 15360 1 21 . 1 1 62 62 TYR H H 62 8.622 8.622 8.195 0.427 25439 15361 1 21 . 1 1 63 63 ILE N N 63 119.789 119.789 119.196 0.593 25439 15362 1 21 . 1 1 63 63 ILE HA H 63 3.492 3.492 3.814 -0.322 25439 15363 1 21 . 1 1 63 63 ILE CA C 63 65.693 65.693 65.501 0.192 25439 15364 1 21 . 1 1 63 63 ILE CB C 63 38.023 38.023 38.365 -0.342 25439 15365 1 21 . 1 1 63 63 ILE H H 63 7.588 7.588 8.075 -0.487 25439 15366 1 21 . 1 1 64 64 TYR N N 64 120.485 120.485 120.826 -0.341 25439 15367 1 21 . 1 1 64 64 TYR HA H 64 4.577 4.577 4.411 0.166 25439 15368 1 21 . 1 1 64 64 TYR CA C 64 61.759 61.759 61.844 -0.085 25439 15369 1 21 . 1 1 64 64 TYR CB C 64 39.772 39.772 38.391 1.381 25439 15370 1 21 . 1 1 64 64 TYR H H 64 9.166 9.166 9.243 -0.077 25439 15371 1 21 . 1 1 65 65 THR N N 65 117.072 117.072 116.095 0.977 25439 15372 1 21 . 1 1 65 65 THR HA H 65 3.562 3.562 4.141 -0.579 25439 15373 1 21 . 1 1 65 65 THR CA C 65 67.016 67.016 65.528 1.488 25439 15374 1 21 . 1 1 65 65 THR CB C 65 68.711 68.711 69.048 -0.337 25439 15375 1 21 . 1 1 65 65 THR H H 65 8.987 8.987 8.208 0.779 25439 15376 1 21 . 1 1 66 66 LEU N N 66 122.107 122.107 121.638 0.469 25439 15377 1 21 . 1 1 66 66 LEU HA H 66 3.782 3.782 4.313 -0.531 25439 15378 1 21 . 1 1 66 66 LEU CA C 66 58.476 58.476 58.080 0.396 25439 15379 1 21 . 1 1 66 66 LEU CB C 66 43.183 43.183 41.017 2.166 25439 15380 1 21 . 1 1 66 66 LEU H H 66 8.286 8.286 7.667 0.619 25439 15381 1 21 . 1 1 67 67 TYR N N 67 115.264 115.264 119.067 -3.803 25439 15382 1 21 . 1 1 67 67 TYR HA H 67 4.344 4.344 4.139 0.205 25439 15383 1 21 . 1 1 67 67 TYR CA C 67 60.830 60.830 61.517 -0.686 25439 15384 1 21 . 1 1 67 67 TYR CB C 67 40.376 40.376 39.536 0.840 25439 15385 1 21 . 1 1 67 67 TYR H H 67 7.983 7.983 8.362 -0.379 25439 15386 1 21 . 1 1 68 68 TYR N N 68 113.945 113.945 115.443 -1.498 25439 15387 1 21 . 1 1 68 68 TYR HA H 68 3.699 3.699 4.207 -0.508 25439 15388 1 21 . 1 1 68 68 TYR CA C 68 62.030 62.030 60.603 1.427 25439 15389 1 21 . 1 1 68 68 TYR CB C 68 38.046 38.046 38.888 -0.842 25439 15390 1 21 . 1 1 68 68 TYR H H 68 8.297 8.297 7.502 0.795 25439 15391 1 21 . 1 1 69 69 LYS N N 69 114.346 114.346 117.748 -3.402 25439 15392 1 21 . 1 1 69 69 LYS HA H 69 4.564 4.564 4.350 0.214 25439 15393 1 21 . 1 1 69 69 LYS CA C 69 56.821 56.821 56.952 -0.131 25439 15394 1 21 . 1 1 69 69 LYS CB C 69 31.980 31.980 33.248 -1.268 25439 15395 1 21 . 1 1 69 69 LYS H H 69 7.084 7.084 7.476 -0.392 25439 15396 1 21 . 1 1 70 70 ARG N N 70 114.676 114.676 118.968 -4.292 25439 15397 1 21 . 1 1 70 70 ARG HA H 70 4.251 4.251 4.042 0.209 25439 15398 1 21 . 1 1 70 70 ARG CA C 70 56.314 56.314 57.521 -1.207 25439 15399 1 21 . 1 1 70 70 ARG CB C 70 31.128 31.128 30.636 0.492 25439 15400 1 21 . 1 1 70 70 ARG H H 70 8.178 8.178 7.948 0.230 25439 15401 1 21 . 1 1 71 71 LYS N N 71 115.371 115.371 114.761 0.610 25439 15402 1 21 . 1 1 71 71 LYS HA H 71 4.036 4.036 3.752 0.284 25439 15403 1 21 . 1 1 71 71 LYS CA C 71 57.121 57.121 57.157 -0.036 25439 15404 1 21 . 1 1 71 71 LYS CB C 71 28.897 28.897 30.071 -1.174 25439 15405 1 21 . 1 1 71 71 LYS H H 71 6.843 6.843 7.680 -0.837 25439 15406 1 21 . 1 1 72 72 ALA N N 72 117.701 117.701 121.665 -3.964 25439 15407 1 21 . 1 1 72 72 ALA HA H 72 4.395 4.395 4.387 0.008 25439 15408 1 21 . 1 1 72 72 ALA CA C 72 52.597 52.597 52.541 0.056 25439 15409 1 21 . 1 1 72 72 ALA CB C 72 21.560 21.560 20.355 1.205 25439 15410 1 21 . 1 1 72 72 ALA H H 72 8.560 8.560 7.659 0.901 25439 15411 1 21 . 1 1 73 73 ILE N N 73 107.605 107.605 120.060 -12.455 25439 15412 1 21 . 1 1 73 73 ILE CB C 73 42.724 42.724 39.035 3.689 25439 15413 1 21 . 1 1 73 73 ILE H H 73 7.074 7.074 8.063 -0.989 25439 15414 1 21 . 1 1 74 74 SER N N 74 118.425 118.425 118.606 -0.181 25439 15415 1 21 . 1 1 74 74 SER HA H 74 4.484 4.484 4.707 -0.223 25439 15416 1 21 . 1 1 74 74 SER CA C 74 57.082 57.082 56.449 0.633 25439 15417 1 21 . 1 1 74 74 SER CB C 74 65.396 65.396 64.888 0.508 25439 15418 1 21 . 1 1 74 74 SER H H 74 8.797 8.797 8.368 0.429 25439 15419 1 21 . 1 1 75 75 LYS N N 75 121.891 121.891 126.768 -4.877 25439 15420 1 21 . 1 1 75 75 LYS HA H 75 3.851 3.851 4.289 -0.438 25439 15421 1 21 . 1 1 75 75 LYS CA C 75 59.624 59.624 59.876 -0.252 25439 15422 1 21 . 1 1 75 75 LYS CB C 75 32.368 32.368 32.613 -0.245 25439 15423 1 21 . 1 1 75 75 LYS H H 75 9.024 9.024 9.136 -0.112 25439 15424 1 21 . 1 1 76 76 ASP N N 76 115.908 115.908 119.699 -3.791 25439 15425 1 21 . 1 1 76 76 ASP HA H 76 4.423 4.423 4.421 0.001 25439 15426 1 21 . 1 1 76 76 ASP CA C 76 57.362 57.362 57.868 -0.506 25439 15427 1 21 . 1 1 76 76 ASP CB C 76 40.391 40.391 40.527 -0.136 25439 15428 1 21 . 1 1 76 76 ASP H H 76 8.161 8.161 8.131 0.030 25439 15429 1 21 . 1 1 77 77 LEU N N 77 121.705 121.705 121.063 0.642 25439 15430 1 21 . 1 1 77 77 LEU HA H 77 4.180 4.180 4.140 0.040 25439 15431 1 21 . 1 1 77 77 LEU CA C 77 57.818 57.818 57.783 0.035 25439 15432 1 21 . 1 1 77 77 LEU H H 77 8.345 8.345 7.714 0.631 25439 15433 1 21 . 1 1 78 78 TYR N N 78 121.511 121.511 120.076 1.435 25439 15434 1 21 . 1 1 78 78 TYR HA H 78 3.789 3.789 3.988 -0.199 25439 15435 1 21 . 1 1 78 78 TYR CA C 78 62.857 62.857 60.843 2.014 25439 15436 1 21 . 1 1 78 78 TYR CB C 78 38.369 38.369 37.785 0.584 25439 15437 1 21 . 1 1 78 78 TYR H H 78 8.598 8.598 8.704 -0.106 25439 15438 1 21 . 1 1 79 79 ASP N N 79 117.189 117.189 119.781 -2.592 25439 15439 1 21 . 1 1 79 79 ASP HA H 79 4.066 4.066 4.049 0.017 25439 15440 1 21 . 1 1 79 79 ASP CA C 79 57.219 57.219 57.114 0.105 25439 15441 1 21 . 1 1 79 79 ASP CB C 79 40.003 40.003 40.549 -0.546 25439 15442 1 21 . 1 1 79 79 ASP H H 79 9.106 9.106 8.609 0.497 25439 15443 1 21 . 1 1 80 80 TRP N N 80 123.400 123.400 121.744 1.656 25439 15444 1 21 . 1 1 80 80 TRP HA H 80 4.160 4.160 4.156 0.004 25439 15445 1 21 . 1 1 80 80 TRP CA C 80 62.368 62.368 61.454 0.914 25439 15446 1 21 . 1 1 80 80 TRP CB C 80 29.969 29.969 29.424 0.545 25439 15447 1 21 . 1 1 80 80 TRP H H 80 7.931 7.931 8.165 -0.234 25439 15448 1 21 . 1 1 81 81 LEU N N 81 119.674 119.674 118.799 0.875 25439 15449 1 21 . 1 1 81 81 LEU HA H 81 3.971 3.971 2.676 1.295 25439 15450 1 21 . 1 1 81 81 LEU CA C 81 58.294 58.294 57.799 0.495 25439 15451 1 21 . 1 1 81 81 LEU CB C 81 41.818 41.818 41.518 0.300 25439 15452 1 21 . 1 1 81 81 LEU H H 81 8.814 8.814 8.122 0.692 25439 15453 1 21 . 1 1 82 82 ILE N N 82 118.746 118.746 118.716 0.030 25439 15454 1 21 . 1 1 82 82 ILE HA H 82 3.861 3.861 3.735 0.126 25439 15455 1 21 . 1 1 82 82 ILE CA C 82 62.734 62.734 63.048 -0.314 25439 15456 1 21 . 1 1 82 82 ILE CB C 82 36.236 36.236 36.547 -0.312 25439 15457 1 21 . 1 1 82 82 ILE H H 82 7.886 7.886 7.621 0.265 25439 15458 1 21 . 1 1 83 83 LYS N N 83 124.819 124.819 119.172 5.647 25439 15459 1 21 . 1 1 83 83 LYS HA H 83 3.911 3.911 4.107 -0.196 25439 15460 1 21 . 1 1 83 83 LYS CA C 83 59.643 59.643 57.576 2.067 25439 15461 1 21 . 1 1 83 83 LYS CB C 83 32.027 32.027 32.805 -0.778 25439 15462 1 21 . 1 1 83 83 LYS H H 83 8.224 8.224 7.615 0.609 25439 15463 1 21 . 1 1 84 84 GLU N N 84 115.404 115.404 118.153 -2.749 25439 15464 1 21 . 1 1 84 84 GLU HA H 84 3.841 3.841 4.269 -0.428 25439 15465 1 21 . 1 1 84 84 GLU CA C 84 55.582 55.582 55.128 0.454 25439 15466 1 21 . 1 1 84 84 GLU CB C 84 29.459 29.459 28.843 0.616 25439 15467 1 21 . 1 1 84 84 GLU H H 84 8.138 8.138 7.186 0.952 25439 15468 1 21 . 1 1 85 85 LYS N N 85 111.563 111.563 118.044 -6.481 25439 15469 1 21 . 1 1 85 85 LYS HA H 85 3.820 3.820 3.956 -0.136 25439 15470 1 21 . 1 1 85 85 LYS CA C 85 57.890 57.890 57.051 0.839 25439 15471 1 21 . 1 1 85 85 LYS CB C 85 28.005 28.005 30.438 -2.433 25439 15472 1 21 . 1 1 85 85 LYS H H 85 7.719 7.719 7.858 -0.139 25439 15473 1 21 . 1 1 86 86 TYR N N 86 116.916 116.916 118.553 -1.637 25439 15474 1 21 . 1 1 86 86 TYR HA H 86 4.137 4.137 4.450 -0.313 25439 15475 1 21 . 1 1 86 86 TYR CA C 86 61.228 61.228 58.892 2.336 25439 15476 1 21 . 1 1 86 86 TYR CB C 86 39.535 39.535 41.140 -1.605 25439 15477 1 21 . 1 1 86 86 TYR H H 86 8.521 8.521 7.989 0.532 25439 15478 1 21 . 1 1 87 87 ALA N N 87 113.715 113.715 118.494 -4.779 25439 15479 1 21 . 1 1 87 87 ALA HA H 87 4.738 4.738 4.674 0.064 25439 15480 1 21 . 1 1 87 87 ALA CA C 87 49.121 49.121 50.744 -1.623 25439 15481 1 21 . 1 1 87 87 ALA CB C 87 23.295 23.295 21.538 1.757 25439 15482 1 21 . 1 1 87 87 ALA H H 87 6.959 6.959 7.705 -0.746 25439 15483 1 21 . 1 1 88 88 ASP N N 88 119.344 119.344 120.097 -0.753 25439 15484 1 21 . 1 1 88 88 ASP HA H 88 4.544 4.544 4.837 -0.293 25439 15485 1 21 . 1 1 88 88 ASP CA C 88 52.714 52.714 53.023 -0.309 25439 15486 1 21 . 1 1 88 88 ASP CB C 88 41.845 41.845 42.574 -0.729 25439 15487 1 21 . 1 1 88 88 ASP H H 88 7.870 7.870 8.512 -0.642 25439 15488 1 21 . 1 1 89 89 LYS N N 89 125.312 125.312 126.420 -1.108 25439 15489 1 21 . 1 1 89 89 LYS HA H 89 3.834 3.834 4.019 -0.185 25439 15490 1 21 . 1 1 89 89 LYS CA C 89 59.409 59.409 59.728 -0.320 25439 15491 1 21 . 1 1 89 89 LYS CB C 89 32.848 32.848 32.578 0.270 25439 15492 1 21 . 1 1 89 89 LYS H H 89 8.467 8.467 8.833 -0.366 25439 15493 1 21 . 1 1 90 90 LEU N N 90 119.899 119.899 120.467 -0.568 25439 15494 1 21 . 1 1 90 90 LEU HA H 90 4.023 4.023 4.019 0.004 25439 15495 1 21 . 1 1 90 90 LEU CA C 90 57.049 57.049 57.853 -0.804 25439 15496 1 21 . 1 1 90 90 LEU CB C 90 41.099 41.099 41.710 -0.611 25439 15497 1 21 . 1 1 90 90 LEU H H 90 8.076 8.076 7.778 0.298 25439 15498 1 21 . 1 1 91 91 LEU N N 91 123.148 123.148 120.248 2.900 25439 15499 1 21 . 1 1 91 91 LEU HA H 91 3.498 3.498 3.746 -0.248 25439 15500 1 21 . 1 1 91 91 LEU CA C 91 56.971 56.971 57.712 -0.741 25439 15501 1 21 . 1 1 91 91 LEU CB C 91 41.823 41.823 40.922 0.901 25439 15502 1 21 . 1 1 91 91 LEU H H 91 7.120 7.120 7.578 -0.458 25439 15503 1 21 . 1 1 92 92 ILE N N 92 116.780 116.780 117.840 -1.060 25439 15504 1 21 . 1 1 92 92 ILE HA H 92 3.265 3.265 3.610 -0.345 25439 15505 1 21 . 1 1 92 92 ILE CA C 92 65.178 65.178 64.874 0.304 25439 15506 1 21 . 1 1 92 92 ILE CB C 92 38.209 38.209 37.477 0.732 25439 15507 1 21 . 1 1 92 92 ILE H H 92 7.384 7.384 7.657 -0.273 25439 15508 1 21 . 1 1 93 93 ALA N N 93 117.061 117.061 122.306 -5.245 25439 15509 1 21 . 1 1 93 93 ALA HA H 93 3.930 3.930 4.027 -0.097 25439 15510 1 21 . 1 1 93 93 ALA CA C 93 54.839 54.839 55.394 -0.555 25439 15511 1 21 . 1 1 93 93 ALA CB C 93 18.125 18.125 18.186 -0.061 25439 15512 1 21 . 1 1 93 93 ALA H H 93 7.437 7.437 8.595 -1.158 25439 15513 1 21 . 1 1 94 94 LYS N N 94 116.036 116.036 118.992 -2.956 25439 15514 1 21 . 1 1 94 94 LYS HA H 94 3.803 3.803 3.874 -0.071 25439 15515 1 21 . 1 1 94 94 LYS CA C 94 56.945 56.945 58.657 -1.712 25439 15516 1 21 . 1 1 94 94 LYS CB C 94 31.047 31.047 31.799 -0.752 25439 15517 1 21 . 1 1 94 94 LYS H H 94 7.012 7.012 7.835 -0.823 25439 15518 1 21 . 1 1 95 95 TRP N N 95 118.700 118.700 116.360 2.340 25439 15519 1 21 . 1 1 95 95 TRP HA H 95 4.814 4.814 4.530 0.284 25439 15520 1 21 . 1 1 95 95 TRP CA C 95 57.136 57.136 59.386 -2.250 25439 15521 1 21 . 1 1 95 95 TRP CB C 95 28.171 28.171 28.833 -0.662 25439 15522 1 21 . 1 1 95 95 TRP H H 95 7.611 7.611 7.453 0.158 25439 15523 1 21 . 1 1 96 96 ARG N N 96 113.031 113.031 116.861 -3.830 25439 15524 1 21 . 1 1 96 96 ARG HA H 96 4.233 4.233 4.310 -0.077 25439 15525 1 21 . 1 1 96 96 ARG CA C 96 56.234 56.234 57.384 -1.150 25439 15526 1 21 . 1 1 96 96 ARG CB C 96 30.245 30.245 30.684 -0.439 25439 15527 1 21 . 1 1 96 96 ARG H H 96 7.066 7.066 7.524 -0.458 25439 15528 1 21 . 1 1 97 97 LYS N N 97 123.252 123.252 119.846 3.406 25439 15529 1 21 . 1 1 97 97 LYS HA H 97 4.634 4.634 4.241 0.393 25439 15530 1 21 . 1 1 97 97 LYS CA C 97 54.937 54.937 57.607 -2.670 25439 15531 1 21 . 1 1 97 97 LYS CB C 97 34.166 34.166 32.977 1.189 25439 15532 1 21 . 1 1 97 97 LYS H H 97 8.467 8.467 7.812 0.655 25439 15533 1 21 . 1 1 98 98 THR N N 98 119.993 119.993 114.583 5.410 25439 15534 1 21 . 1 1 98 98 THR HA H 98 4.224 4.224 4.464 -0.240 25439 15535 1 21 . 1 1 98 98 THR CA C 98 64.670 64.670 62.069 2.601 25439 15536 1 21 . 1 1 98 98 THR CB C 98 69.200 69.200 69.645 -0.445 25439 15537 1 21 . 1 1 98 98 THR H H 98 8.329 8.329 8.090 0.239 25439 15538 1 21 . 1 1 99 99 GLY N N 99 116.645 116.645 113.212 3.433 25439 15539 1 21 . 1 1 99 99 GLY CA C 99 45.047 45.047 45.141 -0.094 25439 15540 1 21 . 1 1 99 99 GLY H H 99 9.273 9.273 8.744 0.529 25439 15541 1 21 . 1 1 100 100 TYR N N 100 120.784 120.784 122.336 -1.552 25439 15542 1 21 . 1 1 100 100 TYR HA H 100 4.704 4.704 4.643 0.061 25439 15543 1 21 . 1 1 100 100 TYR CA C 100 57.697 57.697 55.599 2.098 25439 15544 1 21 . 1 1 100 100 TYR CB C 100 39.413 39.413 35.917 3.496 25439 15545 1 21 . 1 1 100 100 TYR H H 100 8.457 8.457 8.062 0.395 25439 15546 1 21 . 1 1 101 101 GLU N N 101 119.482 119.482 121.703 -2.221 25439 15547 1 21 . 1 1 101 101 GLU HA H 101 4.601 4.601 4.322 0.279 25439 15548 1 21 . 1 1 101 101 GLU CA C 101 61.207 61.207 58.438 2.769 25439 15549 1 21 . 1 1 101 101 GLU CB C 101 29.648 29.648 30.213 -0.565 25439 15550 1 21 . 1 1 101 101 GLU H H 101 9.836 9.836 7.933 1.903 25439 15551 1 21 . 1 1 102 102 LYS N N 102 115.179 115.179 120.384 -5.205 25439 15552 1 21 . 1 1 102 102 LYS HA H 102 4.295 4.295 4.667 -0.372 25439 15553 1 21 . 1 1 102 102 LYS CA C 102 54.207 54.207 55.202 -0.995 25439 15554 1 21 . 1 1 102 102 LYS CB C 102 32.489 32.489 32.338 0.151 25439 15555 1 21 . 1 1 102 102 LYS H H 102 8.291 8.291 7.795 0.496 25439 15556 1 21 . 1 1 103 103 LEU N N 103 119.637 119.637 118.931 0.706 25439 15557 1 21 . 1 1 103 103 LEU HA H 103 4.385 4.385 4.970 -0.585 25439 15558 1 21 . 1 1 103 103 LEU CA C 103 56.549 56.549 53.953 2.595 25439 15559 1 21 . 1 1 103 103 LEU CB C 103 43.864 43.864 44.441 -0.577 25439 15560 1 21 . 1 1 103 103 LEU H H 103 7.642 7.642 7.954 -0.312 25439 15561 1 21 . 1 1 104 104 CYS N N 104 129.651 129.651 116.859 12.792 25439 15562 1 21 . 1 1 104 104 CYS HA H 104 4.498 4.498 5.073 -0.575 25439 15563 1 21 . 1 1 104 104 CYS CA C 104 58.076 58.076 58.456 -0.380 25439 15564 1 21 . 1 1 104 104 CYS CB C 104 32.301 32.301 28.108 4.193 25439 15565 1 21 . 1 1 104 104 CYS H H 104 8.638 8.638 8.868 -0.230 25439 15566 1 21 . 1 1 105 105 CYS N N 105 120.206 120.206 117.797 2.409 25439 15567 1 21 . 1 1 105 105 CYS HA H 105 4.806 4.806 4.716 0.090 25439 15568 1 21 . 1 1 105 105 CYS CA C 105 58.271 58.271 57.230 1.041 25439 15569 1 21 . 1 1 105 105 CYS CB C 105 32.062 32.062 29.989 2.073 25439 15570 1 21 . 1 1 105 105 CYS H H 105 8.158 8.158 7.801 0.357 25439 15571 1 21 . 1 1 106 106 LEU N N 106 115.513 115.513 120.485 -4.972 25439 15572 1 21 . 1 1 106 106 LEU HA H 106 4.054 4.054 4.219 -0.165 25439 15573 1 21 . 1 1 106 106 LEU CA C 106 56.110 56.110 56.771 -0.661 25439 15574 1 21 . 1 1 106 106 LEU CB C 106 41.227 41.227 42.129 -0.902 25439 15575 1 21 . 1 1 106 106 LEU H H 106 8.466 8.466 8.003 0.463 25439 15576 1 21 . 1 1 107 107 ARG N N 107 122.711 122.711 118.998 3.713 25439 15577 1 21 . 1 1 107 107 ARG HA H 107 3.993 3.993 4.347 -0.354 25439 15578 1 21 . 1 1 107 107 ARG CA C 107 58.311 58.311 56.256 2.055 25439 15579 1 21 . 1 1 107 107 ARG CB C 107 28.965 28.965 29.662 -0.697 25439 15580 1 21 . 1 1 107 107 ARG H H 107 8.131 8.131 8.186 -0.055 25439 15581 1 21 . 1 1 108 108 CYS N N 108 119.055 119.055 117.965 1.090 25439 15582 1 21 . 1 1 108 108 CYS HA H 108 4.101 4.101 4.735 -0.634 25439 15583 1 21 . 1 1 108 108 CYS CA C 108 63.936 63.936 57.564 6.372 25439 15584 1 21 . 1 1 108 108 CYS CB C 108 30.934 30.934 27.296 3.638 25439 15585 1 21 . 1 1 108 108 CYS H H 108 8.010 8.010 7.887 0.123 25439 15586 1 21 . 1 1 109 109 ILE N N 109 107.315 107.315 114.175 -6.860 25439 15587 1 21 . 1 1 109 109 ILE HA H 109 4.684 4.684 4.443 0.241 25439 15588 1 21 . 1 1 109 109 ILE CA C 109 60.483 60.483 60.944 -0.460 25439 15589 1 21 . 1 1 109 109 ILE CB C 109 38.320 38.320 38.975 -0.655 25439 15590 1 21 . 1 1 109 109 ILE H H 109 7.105 7.105 7.443 -0.338 25439 15591 1 21 . 1 1 110 110 GLN N N 110 122.468 122.468 123.080 -0.612 25439 15592 1 21 . 1 1 110 110 GLN HA H 110 4.268 4.268 4.108 0.160 25439 15593 1 21 . 1 1 110 110 GLN CA C 110 55.981 55.981 56.831 -0.851 25439 15594 1 21 . 1 1 110 110 GLN CB C 110 29.656 29.656 26.874 2.782 25439 15595 1 21 . 1 1 110 110 GLN H H 110 7.156 7.156 8.325 -1.169 25439 15596 1 21 . 1 1 111 111 LYS N N 111 124.650 124.650 121.704 2.946 25439 15597 1 21 . 1 1 111 111 LYS HA H 111 4.246 4.246 4.582 -0.336 25439 15598 1 21 . 1 1 111 111 LYS CA C 111 56.546 56.546 55.561 0.985 25439 15599 1 21 . 1 1 111 111 LYS CB C 111 32.846 32.846 34.459 -1.613 25439 15600 1 21 . 1 1 111 111 LYS H H 111 8.522 8.522 8.442 0.080 25439 15601 1 21 . 1 1 112 112 ASN N N 112 120.972 120.972 118.550 2.422 25439 15602 1 21 . 1 1 112 112 ASN HA H 112 4.778 4.778 4.657 0.121 25439 15603 1 21 . 1 1 112 112 ASN CA C 112 52.902 52.902 54.330 -1.428 25439 15604 1 21 . 1 1 112 112 ASN CB C 112 39.328 39.328 39.851 -0.523 25439 15605 1 21 . 1 1 112 112 ASN H H 112 8.360 8.360 8.677 -0.317 25439 15606 1 21 . 1 1 113 113 GLU N N 113 121.710 121.710 118.897 2.813 25439 15607 1 21 . 1 1 113 113 GLU HA H 113 4.248 4.248 4.570 -0.322 25439 15608 1 21 . 1 1 113 113 GLU CA C 113 58.611 58.611 56.503 2.108 25439 15609 1 21 . 1 1 113 113 GLU CB C 113 29.590 29.590 29.653 -0.063 25439 15610 1 21 . 1 1 113 113 GLU H H 113 9.023 9.023 8.300 0.723 25439 15611 1 21 . 1 1 114 114 THR N N 114 112.186 112.186 112.935 -0.749 25439 15612 1 21 . 1 1 114 114 THR HA H 114 4.321 4.321 4.570 -0.249 25439 15613 1 21 . 1 1 114 114 THR CA C 114 63.161 63.161 60.903 2.258 25439 15614 1 21 . 1 1 114 114 THR CB C 114 69.481 69.481 70.152 -0.671 25439 15615 1 21 . 1 1 114 114 THR H H 114 8.112 8.112 7.740 0.372 25439 15616 1 21 . 1 1 115 115 ASN N N 115 119.112 119.112 119.173 -0.061 25439 15617 1 21 . 1 1 115 115 ASN HA H 115 4.829 4.829 4.943 -0.114 25439 15618 1 21 . 1 1 115 115 ASN CA C 115 53.110 53.110 53.488 -0.378 25439 15619 1 21 . 1 1 115 115 ASN CB C 115 38.659 38.659 38.624 0.035 25439 15620 1 21 . 1 1 115 115 ASN H H 115 8.047 8.047 8.518 -0.471 25439 15621 1 21 . 1 1 116 116 ASN N N 116 117.175 117.175 120.698 -3.523 25439 15622 1 21 . 1 1 116 116 ASN HA H 116 4.615 4.615 4.982 -0.367 25439 15623 1 21 . 1 1 116 116 ASN CA C 116 53.965 53.965 53.107 0.858 25439 15624 1 21 . 1 1 116 116 ASN CB C 116 38.173 38.173 40.362 -2.189 25439 15625 1 21 . 1 1 116 116 ASN H H 116 8.364 8.364 8.400 -0.036 25439 15626 1 21 . 1 1 117 117 GLY N N 117 107.294 107.294 107.159 0.135 25439 15627 1 21 . 1 1 117 117 GLY CA C 117 45.882 45.882 45.344 0.538 25439 15628 1 21 . 1 1 117 117 GLY H H 117 8.264 8.264 8.564 -0.300 25439 15629 1 21 . 1 1 118 118 SER N N 118 115.475 115.475 115.724 -0.249 25439 15630 1 21 . 1 1 118 118 SER HA H 118 4.586 4.586 4.630 -0.044 25439 15631 1 21 . 1 1 118 118 SER CA C 118 57.974 57.974 58.322 -0.348 25439 15632 1 21 . 1 1 118 118 SER CB C 118 64.479 64.479 64.067 0.412 25439 15633 1 21 . 1 1 118 118 SER H H 118 7.905 7.905 8.309 -0.404 25439 15634 1 21 . 1 1 119 119 THR N N 119 111.360 111.360 113.965 -2.605 25439 15635 1 21 . 1 1 119 119 THR HA H 119 4.450 4.450 4.594 -0.144 25439 15636 1 21 . 1 1 119 119 THR CA C 119 61.215 61.215 60.683 0.532 25439 15637 1 21 . 1 1 119 119 THR CB C 119 70.569 70.569 71.724 -1.155 25439 15638 1 21 . 1 1 119 119 THR H H 119 8.044 8.044 7.509 0.535 25439 15639 1 21 . 1 1 120 120 CYS N N 120 122.708 122.708 121.679 1.029 25439 15640 1 21 . 1 1 120 120 CYS HA H 120 4.255 4.255 4.710 -0.455 25439 15641 1 21 . 1 1 120 120 CYS CA C 120 61.469 61.469 58.536 2.933 25439 15642 1 21 . 1 1 120 120 CYS CB C 120 30.892 30.892 28.453 2.439 25439 15643 1 21 . 1 1 120 120 CYS H H 120 8.045 8.045 8.526 -0.481 25439 15644 1 21 . 1 1 121 121 ILE N N 121 132.463 132.463 123.931 8.532 25439 15645 1 21 . 1 1 121 121 ILE HA H 121 4.025 4.025 3.958 0.067 25439 15646 1 21 . 1 1 121 121 ILE CA C 121 63.353 63.353 63.088 0.265 25439 15647 1 21 . 1 1 121 121 ILE CB C 121 38.222 38.222 38.504 -0.282 25439 15648 1 21 . 1 1 121 121 ILE H H 121 8.237 8.237 8.308 -0.071 25439 15649 1 21 . 1 1 122 122 CYS N N 122 123.931 123.931 118.137 5.794 25439 15650 1 21 . 1 1 122 122 CYS HA H 122 4.233 4.233 3.319 0.914 25439 15651 1 21 . 1 1 122 122 CYS CA C 122 60.230 60.230 60.431 -0.201 25439 15652 1 21 . 1 1 122 122 CYS CB C 122 30.602 30.602 25.703 4.899 25439 15653 1 21 . 1 1 122 122 CYS H H 122 9.355 9.355 7.698 1.657 25439 15654 1 21 . 1 1 123 123 ARG N N 123 119.561 119.561 120.648 -1.087 25439 15655 1 21 . 1 1 123 123 ARG HA H 123 4.150 4.150 4.334 -0.184 25439 15656 1 21 . 1 1 123 123 ARG CA C 123 53.177 53.177 58.147 -4.970 25439 15657 1 21 . 1 1 123 123 ARG CB C 123 27.961 27.961 30.484 -2.523 25439 15658 1 21 . 1 1 123 123 ARG H H 123 7.677 7.677 7.824 -0.147 25439 15659 1 21 . 1 1 124 124 VAL N N 124 122.794 122.794 121.587 1.207 25439 15660 1 21 . 1 1 124 124 VAL HA H 124 4.081 4.081 4.024 0.057 25439 15661 1 21 . 1 1 124 124 VAL CA C 124 60.647 60.647 60.133 0.513 25439 15662 1 21 . 1 1 124 124 VAL CB C 124 32.857 32.857 30.654 2.203 25439 15663 1 21 . 1 1 124 124 VAL H H 124 7.578 7.578 7.587 -0.009 25439 15664 1 21 . 1 1 125 125 PRO HA H 125 4.263 4.263 4.517 -0.254 25439 15665 1 21 . 1 1 125 125 PRO CA C 125 63.268 63.268 62.484 0.784 25439 15666 1 21 . 1 1 125 125 PRO CB C 125 32.379 32.379 32.909 -0.530 25439 15667 1 21 . 1 1 126 126 ARG N N 126 128.350 128.350 120.142 8.208 25439 15668 1 21 . 1 1 126 126 ARG HA H 126 3.912 3.912 4.068 -0.156 25439 15669 1 21 . 1 1 126 126 ARG CA C 126 59.653 59.653 59.514 0.139 25439 15670 1 21 . 1 1 126 126 ARG CB C 126 29.339 29.339 29.496 -0.157 25439 15671 1 21 . 1 1 126 126 ARG H H 126 9.534 9.534 8.788 0.746 25439 15672 1 21 . 1 1 127 127 ALA N N 127 119.169 119.169 120.887 -1.718 25439 15673 1 21 . 1 1 127 127 ALA HA H 127 4.192 4.192 4.089 0.103 25439 15674 1 21 . 1 1 127 127 ALA CA C 127 55.227 55.227 55.234 -0.007 25439 15675 1 21 . 1 1 127 127 ALA CB C 127 18.363 18.363 17.997 0.366 25439 15676 1 21 . 1 1 127 127 ALA H H 127 9.263 9.263 8.339 0.924 25439 15677 1 21 . 1 1 128 128 GLN N N 128 117.345 117.345 118.353 -1.008 25439 15678 1 21 . 1 1 128 128 GLN HA H 128 4.209 4.209 4.093 0.116 25439 15679 1 21 . 1 1 128 128 GLN CA C 128 58.506 58.506 58.487 0.019 25439 15680 1 21 . 1 1 128 128 GLN CB C 128 28.220 28.220 28.306 -0.086 25439 15681 1 21 . 1 1 128 128 GLN H H 128 7.448 7.448 8.217 -0.769 25439 15682 1 21 . 1 1 129 129 LEU N N 129 120.561 120.561 120.383 0.178 25439 15683 1 21 . 1 1 129 129 LEU HA H 129 4.088 4.088 3.908 0.180 25439 15684 1 21 . 1 1 129 129 LEU CA C 129 57.952 57.952 58.028 -0.076 25439 15685 1 21 . 1 1 129 129 LEU CB C 129 41.817 41.817 41.723 0.094 25439 15686 1 21 . 1 1 129 129 LEU H H 129 7.622 7.622 7.480 0.142 25439 15687 1 21 . 1 1 130 130 GLU N N 130 119.122 119.122 118.577 0.545 25439 15688 1 21 . 1 1 130 130 GLU HA H 130 3.956 3.956 3.904 0.052 25439 15689 1 21 . 1 1 130 130 GLU CA C 130 59.353 59.353 59.867 -0.513 25439 15690 1 21 . 1 1 130 130 GLU CB C 130 29.337 29.337 29.153 0.184 25439 15691 1 21 . 1 1 130 130 GLU H H 130 8.656 8.656 8.433 0.223 25439 15692 1 21 . 1 1 131 131 GLU N N 131 121.469 121.469 119.826 1.643 25439 15693 1 21 . 1 1 131 131 GLU HA H 131 4.163 4.163 3.992 0.171 25439 15694 1 21 . 1 1 131 131 GLU CA C 131 59.288 59.288 59.466 -0.178 25439 15695 1 21 . 1 1 131 131 GLU CB C 131 29.422 29.422 29.558 -0.136 25439 15696 1 21 . 1 1 131 131 GLU H H 131 7.922 7.922 7.780 0.142 25439 15697 1 21 . 1 1 132 132 GLU N N 132 119.241 119.241 118.998 0.243 25439 15698 1 21 . 1 1 132 132 GLU HA H 132 3.998 3.998 4.024 -0.026 25439 15699 1 21 . 1 1 132 132 GLU CA C 132 59.327 59.327 59.153 0.174 25439 15700 1 21 . 1 1 132 132 GLU CB C 132 29.421 29.421 29.548 -0.127 25439 15701 1 21 . 1 1 132 132 GLU H H 132 8.099 8.099 7.514 0.585 25439 15702 1 21 . 1 1 133 133 ALA N N 133 121.302 121.302 121.813 -0.511 25439 15703 1 21 . 1 1 133 133 ALA HA H 133 4.053 4.053 4.003 0.050 25439 15704 1 21 . 1 1 133 133 ALA CA C 133 54.973 54.973 55.197 -0.224 25439 15705 1 21 . 1 1 133 133 ALA CB C 133 18.154 18.154 18.319 -0.165 25439 15706 1 21 . 1 1 133 133 ALA H H 133 7.795 7.795 7.681 0.114 25439 15707 1 21 . 1 1 134 134 ARG N N 134 118.757 118.757 117.940 0.817 25439 15708 1 21 . 1 1 134 134 ARG HA H 134 4.143 4.143 4.059 0.084 25439 15709 1 21 . 1 1 134 134 ARG CA C 134 59.438 59.438 58.570 0.868 25439 15710 1 21 . 1 1 134 134 ARG CB C 134 30.148 30.148 29.594 0.554 25439 15711 1 21 . 1 1 134 134 ARG H H 134 8.145 8.145 7.891 0.254 25439 15712 1 21 . 1 1 135 135 LYS N N 135 119.496 119.496 119.769 -0.273 25439 15713 1 21 . 1 1 135 135 LYS HA H 135 4.073 4.073 4.128 -0.055 25439 15714 1 21 . 1 1 135 135 LYS CA C 135 59.327 59.327 58.875 0.452 25439 15715 1 21 . 1 1 135 135 LYS CB C 135 32.539 32.539 32.357 0.182 25439 15716 1 21 . 1 1 135 135 LYS H H 135 8.036 8.036 7.564 0.472 25439 15717 1 21 . 1 1 136 136 LYS N N 136 116.645 116.645 116.786 -0.141 25439 15718 1 21 . 1 1 136 136 LYS HA H 136 4.362 4.362 4.479 -0.117 25439 15719 1 21 . 1 1 136 136 LYS CA C 136 56.575 56.575 55.127 1.448 25439 15720 1 21 . 1 1 136 136 LYS CB C 136 33.629 33.629 32.375 1.254 25439 15721 1 21 . 1 1 136 136 LYS H H 136 7.682 7.682 7.388 0.294 25439 15722 1 21 . 1 1 137 137 GLY N N 137 109.349 109.349 109.428 -0.079 25439 15723 1 21 . 1 1 137 137 GLY CA C 137 46.358 46.358 46.220 0.138 25439 15724 1 21 . 1 1 137 137 GLY H H 137 8.064 8.064 7.684 0.380 25439 15725 1 21 . 1 1 138 138 THR N N 138 112.870 112.870 113.284 -0.414 25439 15726 1 21 . 1 1 138 138 THR HA H 138 4.735 4.735 4.659 0.076 25439 15727 1 21 . 1 1 138 138 THR CA C 138 59.308 59.308 60.390 -1.082 25439 15728 1 21 . 1 1 138 138 THR CB C 138 70.755 70.755 71.103 -0.348 25439 15729 1 21 . 1 1 138 138 THR H H 138 8.111 8.111 7.965 0.146 25439 15730 1 21 . 1 1 139 139 GLN N N 139 118.177 118.177 118.866 -0.689 25439 15731 1 21 . 1 1 139 139 GLN HA H 139 4.609 4.609 4.730 -0.121 25439 15732 1 21 . 1 1 139 139 GLN CA C 139 54.435 54.435 54.979 -0.544 25439 15733 1 21 . 1 1 139 139 GLN CB C 139 30.777 30.777 31.708 -0.931 25439 15734 1 21 . 1 1 139 139 GLN H H 139 8.227 8.227 8.254 -0.027 25439 15735 1 21 . 1 1 140 140 VAL N N 140 123.601 123.601 119.074 4.527 25439 15736 1 21 . 1 1 140 140 VAL HA H 140 3.790 3.790 4.451 -0.661 25439 15737 1 21 . 1 1 140 140 VAL CA C 140 63.934 63.934 61.966 1.968 25439 15738 1 21 . 1 1 140 140 VAL CB C 140 32.154 32.154 33.666 -1.512 25439 15739 1 21 . 1 1 140 140 VAL H H 140 8.839 8.839 8.350 0.489 25439 15740 1 21 . 1 1 141 141 SER HA H 141 4.524 4.524 4.673 -0.149 25439 15741 1 21 . 1 1 141 141 SER CA C 141 57.841 57.841 57.938 -0.097 25439 15742 1 21 . 1 1 141 141 SER CB C 141 64.174 64.174 64.224 -0.050 25439 15743 1 21 . 1 1 142 142 PHE N N 142 123.726 123.726 125.970 -2.244 25439 15744 1 21 . 1 1 142 142 PHE HA H 142 4.458 4.458 4.753 -0.295 25439 15745 1 21 . 1 1 142 142 PHE CA C 142 58.673 58.673 57.752 0.922 25439 15746 1 21 . 1 1 142 142 PHE CB C 142 40.055 40.055 41.378 -1.323 25439 15747 1 21 . 1 1 142 142 PHE H H 142 7.534 7.534 8.368 -0.834 25439 15748 1 21 . 1 1 143 143 HIS N N 143 126.548 126.548 118.355 8.193 25439 15749 1 21 . 1 1 143 143 HIS HA H 143 4.336 4.336 4.534 -0.198 25439 15750 1 21 . 1 1 143 143 HIS CA C 143 56.837 56.837 56.395 0.442 25439 15751 1 21 . 1 1 143 143 HIS CB C 143 31.949 31.949 32.291 -0.342 25439 15752 1 21 . 1 1 143 143 HIS H H 143 8.308 8.308 7.134 1.174 25439 15753 1 21 . 1 1 144 144 GLN N N 144 115.094 115.094 115.859 -0.765 25439 15754 1 21 . 1 1 144 144 GLN HA H 144 4.433 4.433 4.745 -0.312 25439 15755 1 21 . 1 1 144 144 GLN CA C 144 54.210 54.210 53.678 0.532 25439 15756 1 21 . 1 1 144 144 GLN CB C 144 32.925 32.925 31.845 1.080 25439 15757 1 21 . 1 1 144 144 GLN H H 144 7.203 7.203 6.978 0.225 25439 15758 1 21 . 1 1 145 145 CYS N N 145 123.088 123.088 118.841 4.247 25439 15759 1 21 . 1 1 145 145 CYS HA H 145 4.961 4.961 4.877 0.084 25439 15760 1 21 . 1 1 145 145 CYS CA C 145 57.978 57.978 57.218 0.760 25439 15761 1 21 . 1 1 145 145 CYS CB C 145 33.555 33.555 29.782 3.773 25439 15762 1 21 . 1 1 145 145 CYS H H 145 8.668 8.668 8.631 0.037 25439 15763 1 21 . 1 1 146 146 VAL N N 146 113.265 113.265 121.176 -7.911 25439 15764 1 21 . 1 1 146 146 VAL HA H 146 4.238 4.238 4.196 0.042 25439 15765 1 21 . 1 1 146 146 VAL CA C 146 64.001 64.001 64.791 -0.790 25439 15766 1 21 . 1 1 146 146 VAL CB C 146 32.157 32.157 32.372 -0.215 25439 15767 1 21 . 1 1 146 146 VAL H H 146 8.198 8.198 8.502 -0.304 25439 15768 1 21 . 1 1 147 147 HIS N N 147 120.556 120.556 118.511 2.045 25439 15769 1 21 . 1 1 147 147 HIS HA H 147 4.604 4.604 4.335 0.269 25439 15770 1 21 . 1 1 147 147 HIS CA C 147 58.708 58.708 58.246 0.462 25439 15771 1 21 . 1 1 147 147 HIS CB C 147 32.204 32.204 29.136 3.068 25439 15772 1 21 . 1 1 147 147 HIS H H 147 7.151 7.151 8.402 -1.251 25439 15773 1 21 . 1 1 148 148 CYS N N 148 112.110 112.110 112.129 -0.019 25439 15774 1 21 . 1 1 148 148 CYS HA H 148 4.889 4.889 4.840 0.049 25439 15775 1 21 . 1 1 148 148 CYS CA C 148 57.952 57.952 55.584 2.368 25439 15776 1 21 . 1 1 148 148 CYS CB C 148 32.956 32.956 30.253 2.703 25439 15777 1 21 . 1 1 148 148 CYS H H 148 7.413 7.413 7.283 0.130 25439 15778 1 21 . 1 1 149 149 GLY N N 149 112.797 112.797 108.169 4.628 25439 15779 1 21 . 1 1 149 149 GLY CA C 149 45.327 45.327 44.350 0.977 25439 15780 1 21 . 1 1 149 149 GLY H H 149 6.949 6.949 8.329 -1.380 25439 15781 1 21 . 1 1 150 150 CYS N N 150 127.277 127.277 120.359 6.918 25439 15782 1 21 . 1 1 150 150 CYS HA H 150 3.932 3.932 4.555 -0.623 25439 15783 1 21 . 1 1 150 150 CYS CA C 150 61.362 61.362 57.486 3.876 25439 15784 1 21 . 1 1 150 150 CYS CB C 150 30.632 30.632 29.460 1.172 25439 15785 1 21 . 1 1 150 150 CYS H H 150 8.240 8.240 7.169 1.071 25439 15786 1 21 . 1 1 151 151 ARG N N 151 125.476 125.476 127.474 -1.998 25439 15787 1 21 . 1 1 151 151 ARG HA H 151 4.775 4.775 4.472 0.303 25439 15788 1 21 . 1 1 151 151 ARG CA C 151 56.164 56.164 54.694 1.470 25439 15789 1 21 . 1 1 151 151 ARG CB C 151 30.354 30.354 29.321 1.033 25439 15790 1 21 . 1 1 151 151 ARG H H 151 8.492 8.492 8.644 -0.152 25439 15791 1 21 . 1 1 152 152 GLY N N 152 117.275 117.275 108.423 8.852 25439 15792 1 21 . 1 1 152 152 GLY CA C 152 45.523 45.523 45.325 0.198 25439 15793 1 21 . 1 1 152 152 GLY H H 152 9.812 9.812 7.756 2.056 25439 15794 1 21 . 1 1 153 153 CYS N N 153 126.187 126.187 118.923 7.264 25439 15795 1 21 . 1 1 153 153 CYS HA H 153 4.842 4.842 4.814 0.028 25439 15796 1 21 . 1 1 153 153 CYS CA C 153 57.130 57.130 55.925 1.205 25439 15797 1 21 . 1 1 153 153 CYS CB C 153 31.368 31.368 27.772 3.596 25439 15798 1 21 . 1 1 153 153 CYS H H 153 8.930 8.930 8.267 0.663 25439 15799 1 21 . 1 1 154 154 ALA N N 154 125.869 125.869 126.448 -0.579 25439 15800 1 21 . 1 1 154 154 ALA HA H 154 4.159 4.159 4.747 -0.588 25439 15801 1 21 . 1 1 154 154 ALA CA C 154 53.187 53.187 51.649 1.538 25439 15802 1 21 . 1 1 154 154 ALA CB C 154 18.937 18.937 21.188 -2.251 25439 15803 1 21 . 1 1 154 154 ALA H H 154 8.616 8.616 8.329 0.287 25439 15804 1 21 . 1 1 155 155 SER N N 155 116.724 116.724 117.372 -0.648 25439 15805 1 21 . 1 1 155 155 SER HA H 155 4.283 4.283 4.471 -0.188 25439 15806 1 21 . 1 1 155 155 SER CA C 155 60.136 60.136 59.805 0.331 25439 15807 1 21 . 1 1 155 155 SER CB C 155 63.575 63.575 63.966 -0.391 25439 15808 1 21 . 1 1 155 155 SER H H 155 9.358 9.358 8.755 0.603 25439 15809 1 21 . 1 1 156 156 THR N N 156 111.893 111.893 116.217 -4.324 25439 15810 1 21 . 1 1 156 156 THR HA H 156 4.358 4.358 4.115 0.243 25439 15811 1 21 . 1 1 156 156 THR CA C 156 61.264 61.264 65.079 -3.815 25439 15812 1 21 . 1 1 156 156 THR CB C 156 69.999 69.999 69.198 0.801 25439 15813 1 21 . 1 1 156 156 THR H H 156 7.638 7.638 8.303 -0.665 25439 15814 1 22 . 1 1 0 0 GLY CA C 0 43.750 43.750 45.899 -2.149 25439 15815 1 22 . 1 1 1 1 SER N N 1 117.201 117.201 116.097 1.104 25439 15816 1 22 . 1 1 1 1 SER HA H 1 4.809 4.809 4.593 0.216 25439 15817 1 22 . 1 1 1 1 SER CA C 1 56.525 56.525 56.602 -0.077 25439 15818 1 22 . 1 1 1 1 SER CB C 1 63.385 63.385 63.922 -0.537 25439 15819 1 22 . 1 1 1 1 SER H H 1 8.381 8.381 8.065 0.316 25439 15820 1 22 . 1 1 2 2 PRO HA H 2 4.468 4.468 4.514 -0.046 25439 15821 1 22 . 1 1 2 2 PRO CA C 2 63.292 63.292 62.973 0.319 25439 15822 1 22 . 1 1 2 2 PRO CB C 2 32.174 32.174 32.189 -0.015 25439 15823 1 22 . 1 1 3 3 ARG N N 3 121.649 121.649 124.033 -2.384 25439 15824 1 22 . 1 1 3 3 ARG HA H 3 4.324 4.324 4.604 -0.280 25439 15825 1 22 . 1 1 3 3 ARG CA C 3 56.226 56.226 55.650 0.576 25439 15826 1 22 . 1 1 3 3 ARG CB C 3 30.732 30.732 30.248 0.484 25439 15827 1 22 . 1 1 3 3 ARG H H 3 8.428 8.428 8.421 0.008 25439 15828 1 22 . 1 1 4 4 ILE N N 4 122.500 122.500 119.682 2.818 25439 15829 1 22 . 1 1 4 4 ILE HA H 4 4.181 4.181 4.616 -0.435 25439 15830 1 22 . 1 1 4 4 ILE CA C 4 60.943 60.943 60.967 -0.024 25439 15831 1 22 . 1 1 4 4 ILE CB C 4 38.751 38.751 40.188 -1.437 25439 15832 1 22 . 1 1 4 4 ILE H H 4 8.165 8.165 8.447 -0.282 25439 15833 1 22 . 1 1 5 5 LYS N N 5 126.237 126.237 122.546 3.691 25439 15834 1 22 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.657 -0.255 25439 15835 1 22 . 1 1 5 5 LYS CA C 5 56.422 56.422 55.321 1.101 25439 15836 1 22 . 1 1 5 5 LYS CB C 5 33.130 33.130 34.484 -1.354 25439 15837 1 22 . 1 1 5 5 LYS H H 5 8.500 8.500 8.435 0.065 25439 15838 1 22 . 1 1 6 6 THR N N 6 116.495 116.495 113.499 2.996 25439 15839 1 22 . 1 1 6 6 THR HA H 6 4.323 4.323 4.652 -0.329 25439 15840 1 22 . 1 1 6 6 THR CA C 6 61.918 61.918 61.184 0.734 25439 15841 1 22 . 1 1 6 6 THR CB C 6 69.963 69.963 70.104 -0.141 25439 15842 1 22 . 1 1 6 6 THR H H 6 8.194 8.194 8.168 0.026 25439 15843 1 22 . 1 1 7 7 ARG N N 7 124.128 124.128 121.467 2.661 25439 15844 1 22 . 1 1 7 7 ARG HA H 7 4.396 4.396 4.558 -0.162 25439 15845 1 22 . 1 1 7 7 ARG CA C 7 56.128 56.128 55.949 0.179 25439 15846 1 22 . 1 1 7 7 ARG CB C 7 30.953 30.953 30.863 0.090 25439 15847 1 22 . 1 1 7 7 ARG H H 7 8.458 8.458 8.528 -0.070 25439 15848 1 22 . 1 1 8 8 ARG N N 8 123.384 123.384 120.402 2.982 25439 15849 1 22 . 1 1 8 8 ARG HA H 8 4.424 4.424 4.559 -0.135 25439 15850 1 22 . 1 1 8 8 ARG CA C 8 56.011 56.011 55.364 0.647 25439 15851 1 22 . 1 1 8 8 ARG CB C 8 31.058 31.058 31.591 -0.533 25439 15852 1 22 . 1 1 8 8 ARG H H 8 8.526 8.526 8.170 0.356 25439 15853 1 22 . 1 1 9 9 SER N N 9 118.446 118.446 115.886 2.560 25439 15854 1 22 . 1 1 9 9 SER HA H 9 4.473 4.473 4.321 0.152 25439 15855 1 22 . 1 1 9 9 SER CA C 9 58.568 58.568 58.579 -0.011 25439 15856 1 22 . 1 1 9 9 SER CB C 9 63.986 63.986 63.422 0.564 25439 15857 1 22 . 1 1 9 9 SER H H 9 8.450 8.450 8.538 -0.088 25439 15858 1 22 . 1 1 10 10 LYS N N 10 124.117 124.117 123.386 0.731 25439 15859 1 22 . 1 1 10 10 LYS HA H 10 4.673 4.673 4.669 0.004 25439 15860 1 22 . 1 1 10 10 LYS CA C 10 54.412 54.412 53.515 0.897 25439 15861 1 22 . 1 1 10 10 LYS CB C 10 32.693 32.693 33.097 -0.404 25439 15862 1 22 . 1 1 10 10 LYS H H 10 8.426 8.426 7.986 0.440 25439 15863 1 22 . 1 1 11 11 PRO HA H 11 4.360 4.360 4.489 -0.129 25439 15864 1 22 . 1 1 11 11 PRO CA C 11 62.861 62.861 62.577 0.284 25439 15865 1 22 . 1 1 11 11 PRO CB C 11 32.106 32.106 32.708 -0.602 25439 15866 1 22 . 1 1 12 12 ALA N N 12 124.420 124.420 120.535 3.885 25439 15867 1 22 . 1 1 12 12 ALA HA H 12 2.889 2.889 2.732 0.157 25439 15868 1 22 . 1 1 12 12 ALA CA C 12 49.735 49.735 50.738 -1.003 25439 15869 1 22 . 1 1 12 12 ALA CB C 12 18.066 18.066 16.614 1.452 25439 15870 1 22 . 1 1 12 12 ALA H H 12 7.890 7.890 7.567 0.323 25439 15871 1 22 . 1 1 13 13 PRO HA H 13 4.207 4.207 4.466 -0.259 25439 15872 1 22 . 1 1 13 13 PRO CA C 13 62.111 62.111 61.598 0.513 25439 15873 1 22 . 1 1 13 13 PRO CB C 13 32.582 32.582 32.441 0.141 25439 15874 1 22 . 1 1 14 14 ASP N N 14 119.535 119.535 120.643 -1.108 25439 15875 1 22 . 1 1 14 14 ASP HA H 14 4.379 4.379 4.305 0.074 25439 15876 1 22 . 1 1 14 14 ASP CA C 14 56.427 56.427 57.823 -1.396 25439 15877 1 22 . 1 1 14 14 ASP CB C 14 41.177 41.177 40.379 0.798 25439 15878 1 22 . 1 1 14 14 ASP H H 14 8.206 8.206 8.714 -0.508 25439 15879 1 22 . 1 1 15 15 GLY N N 15 113.273 113.273 108.153 5.120 25439 15880 1 22 . 1 1 15 15 GLY CA C 15 45.146 45.146 46.798 -1.652 25439 15881 1 22 . 1 1 15 15 GLY H H 15 8.723 8.723 8.513 0.210 25439 15882 1 22 . 1 1 16 16 PHE N N 16 123.113 123.113 122.645 0.468 25439 15883 1 22 . 1 1 16 16 PHE HA H 16 4.125 4.125 4.232 -0.107 25439 15884 1 22 . 1 1 16 16 PHE CA C 16 60.715 60.715 59.502 1.213 25439 15885 1 22 . 1 1 16 16 PHE CB C 16 39.639 39.639 39.049 0.590 25439 15886 1 22 . 1 1 16 16 PHE H H 16 8.127 8.127 8.275 -0.148 25439 15887 1 22 . 1 1 17 17 GLU N N 17 115.695 115.695 119.412 -3.717 25439 15888 1 22 . 1 1 17 17 GLU HA H 17 3.768 3.768 3.800 -0.032 25439 15889 1 22 . 1 1 17 17 GLU CA C 17 59.234 59.234 59.400 -0.166 25439 15890 1 22 . 1 1 17 17 GLU CB C 17 28.495 28.495 29.293 -0.798 25439 15891 1 22 . 1 1 17 17 GLU H H 17 9.088 9.088 8.140 0.948 25439 15892 1 22 . 1 1 18 18 LYS N N 18 115.887 115.887 117.084 -1.197 25439 15893 1 22 . 1 1 18 18 LYS HA H 18 4.165 4.165 4.070 0.095 25439 15894 1 22 . 1 1 18 18 LYS CA C 18 58.249 58.249 58.801 -0.552 25439 15895 1 22 . 1 1 18 18 LYS CB C 18 32.725 32.725 32.920 -0.195 25439 15896 1 22 . 1 1 18 18 LYS H H 18 7.285 7.285 7.795 -0.510 25439 15897 1 22 . 1 1 19 19 ILE N N 19 110.277 110.277 110.759 -0.482 25439 15898 1 22 . 1 1 19 19 ILE HA H 19 4.722 4.722 4.740 -0.018 25439 15899 1 22 . 1 1 19 19 ILE CA C 19 61.093 61.093 59.789 1.304 25439 15900 1 22 . 1 1 19 19 ILE CB C 19 39.139 39.139 38.222 0.917 25439 15901 1 22 . 1 1 19 19 ILE H H 19 7.031 7.031 7.481 -0.450 25439 15902 1 22 . 1 1 20 20 LYS N N 20 124.540 124.540 122.802 1.738 25439 15903 1 22 . 1 1 20 20 LYS HA H 20 3.603 3.603 3.866 -0.263 25439 15904 1 22 . 1 1 20 20 LYS CA C 20 60.917 60.917 59.895 1.022 25439 15905 1 22 . 1 1 20 20 LYS CB C 20 30.210 30.210 30.521 -0.311 25439 15906 1 22 . 1 1 20 20 LYS H H 20 7.666 7.666 7.580 0.086 25439 15907 1 22 . 1 1 21 21 PRO HA H 21 4.292 4.292 4.587 -0.295 25439 15908 1 22 . 1 1 21 21 PRO CA C 21 66.990 66.990 65.214 1.776 25439 15909 1 22 . 1 1 21 21 PRO CB C 21 30.779 30.779 31.400 -0.621 25439 15910 1 22 . 1 1 22 22 THR N N 22 114.917 114.917 115.743 -0.826 25439 15911 1 22 . 1 1 22 22 THR HA H 22 3.866 3.866 4.048 -0.182 25439 15912 1 22 . 1 1 22 22 THR CA C 22 66.575 66.575 66.633 -0.059 25439 15913 1 22 . 1 1 22 22 THR CB C 22 68.731 68.731 68.067 0.664 25439 15914 1 22 . 1 1 22 22 THR H H 22 7.331 7.331 8.354 -1.023 25439 15915 1 22 . 1 1 23 23 LEU N N 23 120.152 120.152 120.467 -0.315 25439 15916 1 22 . 1 1 23 23 LEU HA H 23 4.397 4.397 4.038 0.359 25439 15917 1 22 . 1 1 23 23 LEU CA C 23 58.740 58.740 57.873 0.867 25439 15918 1 22 . 1 1 23 23 LEU CB C 23 40.489 40.489 41.907 -1.418 25439 15919 1 22 . 1 1 23 23 LEU H H 23 7.991 7.991 7.496 0.495 25439 15920 1 22 . 1 1 24 24 THR N N 24 119.365 119.365 115.426 3.939 25439 15921 1 22 . 1 1 24 24 THR HA H 24 4.095 4.095 3.920 0.175 25439 15922 1 22 . 1 1 24 24 THR CA C 24 66.834 66.834 67.073 -0.239 25439 15923 1 22 . 1 1 24 24 THR CB C 24 68.614 68.614 68.427 0.187 25439 15924 1 22 . 1 1 24 24 THR H H 24 9.175 9.175 7.541 1.634 25439 15925 1 22 . 1 1 25 25 ASP N N 25 122.865 122.865 121.268 1.597 25439 15926 1 22 . 1 1 25 25 ASP HA H 25 4.483 4.483 4.339 0.144 25439 15927 1 22 . 1 1 25 25 ASP CA C 25 58.158 58.158 57.107 1.051 25439 15928 1 22 . 1 1 25 25 ASP CB C 25 40.329 40.329 40.678 -0.349 25439 15929 1 22 . 1 1 25 25 ASP H H 25 7.714 7.714 7.731 -0.017 25439 15930 1 22 . 1 1 26 26 PHE N N 26 116.182 116.182 118.412 -2.230 25439 15931 1 22 . 1 1 26 26 PHE HA H 26 4.457 4.457 4.171 0.286 25439 15932 1 22 . 1 1 26 26 PHE CA C 26 62.531 62.531 61.781 0.750 25439 15933 1 22 . 1 1 26 26 PHE CB C 26 39.468 39.468 38.909 0.559 25439 15934 1 22 . 1 1 26 26 PHE H H 26 7.816 7.816 7.795 0.021 25439 15935 1 22 . 1 1 27 27 GLU N N 27 120.107 120.107 119.330 0.777 25439 15936 1 22 . 1 1 27 27 GLU HA H 27 4.113 4.113 3.993 0.120 25439 15937 1 22 . 1 1 27 27 GLU CA C 27 59.852 59.852 59.946 -0.094 25439 15938 1 22 . 1 1 27 27 GLU CB C 27 29.692 29.692 29.317 0.375 25439 15939 1 22 . 1 1 27 27 GLU H H 27 8.068 8.068 7.935 0.133 25439 15940 1 22 . 1 1 28 28 ILE N N 28 121.494 121.494 119.799 1.695 25439 15941 1 22 . 1 1 28 28 ILE HA H 28 3.718 3.718 3.751 -0.033 25439 15942 1 22 . 1 1 28 28 ILE CA C 28 65.002 65.002 65.092 -0.090 25439 15943 1 22 . 1 1 28 28 ILE CB C 28 38.023 38.023 37.805 0.218 25439 15944 1 22 . 1 1 28 28 ILE H H 28 8.531 8.531 7.345 1.186 25439 15945 1 22 . 1 1 29 29 GLN N N 29 118.941 118.941 120.209 -1.268 25439 15946 1 22 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.223 -0.043 25439 15947 1 22 . 1 1 29 29 GLN CA C 29 59.507 59.507 58.778 0.729 25439 15948 1 22 . 1 1 29 29 GLN CB C 29 29.783 29.783 28.710 1.073 25439 15949 1 22 . 1 1 29 29 GLN H H 29 8.117 8.117 7.637 0.480 25439 15950 1 22 . 1 1 30 30 LEU N N 30 121.724 121.724 121.032 0.692 25439 15951 1 22 . 1 1 30 30 LEU HA H 30 4.032 4.032 4.003 0.029 25439 15952 1 22 . 1 1 30 30 LEU CA C 30 58.333 58.333 58.176 0.157 25439 15953 1 22 . 1 1 30 30 LEU CB C 30 42.339 42.339 41.868 0.471 25439 15954 1 22 . 1 1 30 30 LEU H H 30 8.677 8.677 8.824 -0.147 25439 15955 1 22 . 1 1 31 31 ARG N N 31 120.629 120.629 119.055 1.574 25439 15956 1 22 . 1 1 31 31 ARG HA H 31 4.105 4.105 4.113 -0.008 25439 15957 1 22 . 1 1 31 31 ARG CA C 31 59.340 59.340 59.950 -0.610 25439 15958 1 22 . 1 1 31 31 ARG CB C 31 30.044 30.044 29.698 0.346 25439 15959 1 22 . 1 1 31 31 ARG H H 31 8.227 8.227 8.610 -0.383 25439 15960 1 22 . 1 1 32 32 ASP N N 32 120.233 120.233 120.095 0.138 25439 15961 1 22 . 1 1 32 32 ASP HA H 32 4.484 4.484 4.376 0.108 25439 15962 1 22 . 1 1 32 32 ASP CA C 32 57.199 57.199 57.434 -0.235 25439 15963 1 22 . 1 1 32 32 ASP CB C 32 40.202 40.202 40.386 -0.184 25439 15964 1 22 . 1 1 32 32 ASP H H 32 8.407 8.407 7.693 0.714 25439 15965 1 22 . 1 1 33 33 ALA N N 33 121.939 121.939 122.602 -0.663 25439 15966 1 22 . 1 1 33 33 ALA HA H 33 4.321 4.321 4.113 0.208 25439 15967 1 22 . 1 1 33 33 ALA CA C 33 54.207 54.207 55.062 -0.855 25439 15968 1 22 . 1 1 33 33 ALA CB C 33 18.738 18.738 18.379 0.359 25439 15969 1 22 . 1 1 33 33 ALA H H 33 8.057 8.057 7.492 0.565 25439 15970 1 22 . 1 1 34 34 GLN N N 34 114.736 114.736 117.546 -2.810 25439 15971 1 22 . 1 1 34 34 GLN HA H 34 4.248 4.248 4.024 0.224 25439 15972 1 22 . 1 1 34 34 GLN CA C 34 56.567 56.567 58.943 -2.376 25439 15973 1 22 . 1 1 34 34 GLN CB C 34 29.743 29.743 28.773 0.970 25439 15974 1 22 . 1 1 34 34 GLN H H 34 7.746 7.746 8.653 -0.907 25439 15975 1 22 . 1 1 35 35 LYS N N 35 120.534 120.534 118.069 2.465 25439 15976 1 22 . 1 1 35 35 LYS HA H 35 4.232 4.232 4.299 -0.067 25439 15977 1 22 . 1 1 35 35 LYS CA C 35 57.427 57.427 58.135 -0.708 25439 15978 1 22 . 1 1 35 35 LYS CB C 35 32.887 32.887 32.847 0.040 25439 15979 1 22 . 1 1 35 35 LYS H H 35 7.570 7.570 7.974 -0.404 25439 15980 1 22 . 1 1 36 36 ASP N N 36 120.943 120.943 120.792 0.151 25439 15981 1 22 . 1 1 36 36 ASP HA H 36 4.595 4.595 4.378 0.217 25439 15982 1 22 . 1 1 36 36 ASP CA C 36 54.983 54.983 56.895 -1.912 25439 15983 1 22 . 1 1 36 36 ASP CB C 36 41.129 41.129 40.282 0.847 25439 15984 1 22 . 1 1 36 36 ASP H H 36 8.375 8.375 8.592 -0.217 25439 15985 1 22 . 1 1 37 37 LYS N N 37 122.598 122.598 119.195 3.403 25439 15986 1 22 . 1 1 37 37 LYS HA H 37 4.365 4.365 3.976 0.389 25439 15987 1 22 . 1 1 37 37 LYS CA C 37 56.725 56.725 58.413 -1.688 25439 15988 1 22 . 1 1 37 37 LYS CB C 37 32.823 32.823 32.819 0.004 25439 15989 1 22 . 1 1 37 37 LYS H H 37 8.446 8.446 7.893 0.553 25439 15990 1 22 . 1 1 38 38 SER N N 38 115.849 115.849 113.882 1.967 25439 15991 1 22 . 1 1 38 38 SER HA H 38 4.423 4.423 4.200 0.223 25439 15992 1 22 . 1 1 38 38 SER CA C 38 59.193 59.193 58.656 0.537 25439 15993 1 22 . 1 1 38 38 SER CB C 38 63.744 63.744 61.808 1.936 25439 15994 1 22 . 1 1 38 38 SER H H 38 8.392 8.392 7.968 0.424 25439 15995 1 22 . 1 1 39 39 SER N N 39 117.258 117.258 114.374 2.884 25439 15996 1 22 . 1 1 39 39 SER HA H 39 4.445 4.445 4.123 0.322 25439 15997 1 22 . 1 1 39 39 SER CA C 39 58.933 58.933 59.974 -1.041 25439 15998 1 22 . 1 1 39 39 SER CB C 39 63.711 63.711 63.794 -0.083 25439 15999 1 22 . 1 1 39 39 SER H H 39 8.283 8.283 8.349 -0.066 25439 16000 1 22 . 1 1 40 40 LYS N N 40 122.427 122.427 122.000 0.427 25439 16001 1 22 . 1 1 40 40 LYS HA H 40 4.321 4.321 4.331 -0.010 25439 16002 1 22 . 1 1 40 40 LYS CA C 40 56.847 56.847 57.033 -0.186 25439 16003 1 22 . 1 1 40 40 LYS CB C 40 32.764 32.764 30.879 1.885 25439 16004 1 22 . 1 1 40 40 LYS H H 40 8.263 8.263 8.384 -0.121 25439 16005 1 22 . 1 1 41 41 LEU N N 41 121.281 121.281 120.103 1.178 25439 16006 1 22 . 1 1 41 41 LEU HA H 41 4.308 4.308 4.402 -0.094 25439 16007 1 22 . 1 1 41 41 LEU CA C 41 55.335 55.335 55.766 -0.431 25439 16008 1 22 . 1 1 41 41 LEU CB C 41 42.212 42.212 42.745 -0.533 25439 16009 1 22 . 1 1 41 41 LEU H H 41 8.068 8.068 8.098 -0.030 25439 16010 1 22 . 1 1 42 42 ALA N N 42 123.964 123.964 121.648 2.316 25439 16011 1 22 . 1 1 42 42 ALA HA H 42 4.274 4.274 4.581 -0.307 25439 16012 1 22 . 1 1 42 42 ALA CA C 42 52.851 52.851 51.793 1.058 25439 16013 1 22 . 1 1 42 42 ALA CB C 42 19.135 19.135 20.440 -1.305 25439 16014 1 22 . 1 1 42 42 ALA H H 42 8.111 8.111 7.976 0.135 25439 16015 1 22 . 1 1 43 43 ALA N N 43 122.146 122.146 121.141 1.005 25439 16016 1 22 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.750 -0.453 25439 16017 1 22 . 1 1 43 43 ALA CA C 43 52.727 52.727 51.247 1.480 25439 16018 1 22 . 1 1 43 43 ALA CB C 43 19.318 19.318 20.043 -0.725 25439 16019 1 22 . 1 1 43 43 ALA H H 43 8.101 8.101 8.185 -0.084 25439 16020 1 22 . 1 1 44 44 LYS N N 44 119.454 119.454 119.560 -0.106 25439 16021 1 22 . 1 1 44 44 LYS HA H 44 4.349 4.349 3.919 0.430 25439 16022 1 22 . 1 1 44 44 LYS CA C 44 56.267 56.267 56.676 -0.409 25439 16023 1 22 . 1 1 44 44 LYS CB C 44 32.825 32.825 31.295 1.530 25439 16024 1 22 . 1 1 44 44 LYS H H 44 8.198 8.198 8.635 -0.437 25439 16025 1 22 . 1 1 45 45 SER N N 45 116.660 116.660 114.086 2.574 25439 16026 1 22 . 1 1 45 45 SER HA H 45 4.368 4.368 4.284 0.084 25439 16027 1 22 . 1 1 45 45 SER CA C 45 58.477 58.477 60.458 -1.981 25439 16028 1 22 . 1 1 45 45 SER CB C 45 64.063 64.063 63.873 0.190 25439 16029 1 22 . 1 1 45 45 SER H H 45 8.251 8.251 8.533 -0.282 25439 16030 1 22 . 1 1 46 46 ASN N N 46 120.516 120.516 119.531 0.985 25439 16031 1 22 . 1 1 46 46 ASN HA H 46 4.361 4.361 4.129 0.232 25439 16032 1 22 . 1 1 46 46 ASN CA C 46 54.657 54.657 56.628 -1.971 25439 16033 1 22 . 1 1 46 46 ASN CB C 46 37.649 37.649 37.795 -0.146 25439 16034 1 22 . 1 1 46 46 ASN H H 46 8.498 8.498 8.493 0.005 25439 16035 1 22 . 1 1 47 47 GLU N N 47 117.964 117.964 117.979 -0.015 25439 16036 1 22 . 1 1 47 47 GLU HA H 47 3.350 3.350 2.893 0.457 25439 16037 1 22 . 1 1 47 47 GLU CA C 47 59.213 59.213 59.159 0.054 25439 16038 1 22 . 1 1 47 47 GLU CB C 47 28.998 28.998 28.769 0.229 25439 16039 1 22 . 1 1 47 47 GLU H H 47 8.016 8.016 8.140 -0.124 25439 16040 1 22 . 1 1 48 48 GLN N N 48 119.468 119.468 119.667 -0.199 25439 16041 1 22 . 1 1 48 48 GLN HA H 48 4.250 4.250 4.034 0.216 25439 16042 1 22 . 1 1 48 48 GLN CA C 48 58.529 58.529 58.539 -0.010 25439 16043 1 22 . 1 1 48 48 GLN CB C 48 28.902 28.902 28.653 0.249 25439 16044 1 22 . 1 1 48 48 GLN H H 48 7.892 7.892 7.455 0.437 25439 16045 1 22 . 1 1 49 49 LEU N N 49 120.145 120.145 120.017 0.128 25439 16046 1 22 . 1 1 49 49 LEU HA H 49 4.232 4.232 3.990 0.242 25439 16047 1 22 . 1 1 49 49 LEU CA C 49 57.479 57.479 57.645 -0.166 25439 16048 1 22 . 1 1 49 49 LEU CB C 49 41.391 41.391 41.631 -0.240 25439 16049 1 22 . 1 1 49 49 LEU H H 49 7.699 7.699 8.339 -0.641 25439 16050 1 22 . 1 1 50 50 TRP N N 50 119.596 119.596 118.275 1.321 25439 16051 1 22 . 1 1 50 50 TRP HA H 50 4.520 4.520 4.463 0.057 25439 16052 1 22 . 1 1 50 50 TRP CA C 50 58.353 58.353 57.733 0.620 25439 16053 1 22 . 1 1 50 50 TRP CB C 50 28.880 28.880 27.865 1.015 25439 16054 1 22 . 1 1 50 50 TRP H H 50 8.385 8.385 8.207 0.178 25439 16055 1 22 . 1 1 51 51 GLU N N 51 119.362 119.362 118.709 0.653 25439 16056 1 22 . 1 1 51 51 GLU HA H 51 4.145 4.145 4.108 0.037 25439 16057 1 22 . 1 1 51 51 GLU CA C 51 60.035 60.035 59.390 0.645 25439 16058 1 22 . 1 1 51 51 GLU CB C 51 29.675 29.675 29.330 0.345 25439 16059 1 22 . 1 1 51 51 GLU H H 51 8.223 8.223 7.920 0.303 25439 16060 1 22 . 1 1 52 52 ILE N N 52 119.018 119.018 120.175 -1.157 25439 16061 1 22 . 1 1 52 52 ILE HA H 52 3.673 3.673 3.724 -0.051 25439 16062 1 22 . 1 1 52 52 ILE CA C 52 65.511 65.511 65.264 0.246 25439 16063 1 22 . 1 1 52 52 ILE CB C 52 38.532 38.532 38.130 0.402 25439 16064 1 22 . 1 1 52 52 ILE H H 52 7.801 7.801 7.605 0.196 25439 16065 1 22 . 1 1 53 53 MET N N 53 118.133 118.133 116.823 1.310 25439 16066 1 22 . 1 1 53 53 MET HA H 53 4.452 4.452 4.064 0.388 25439 16067 1 22 . 1 1 53 53 MET CA C 53 58.216 58.216 58.668 -0.452 25439 16068 1 22 . 1 1 53 53 MET CB C 53 31.838 31.838 31.880 -0.042 25439 16069 1 22 . 1 1 53 53 MET H H 53 8.411 8.411 7.790 0.621 25439 16070 1 22 . 1 1 54 54 GLN N N 54 120.855 120.855 118.835 2.020 25439 16071 1 22 . 1 1 54 54 GLN HA H 54 4.333 4.333 4.060 0.273 25439 16072 1 22 . 1 1 54 54 GLN CA C 54 59.004 59.004 58.757 0.247 25439 16073 1 22 . 1 1 54 54 GLN CB C 54 27.824 27.824 28.888 -1.064 25439 16074 1 22 . 1 1 54 54 GLN H H 54 8.860 8.860 8.491 0.369 25439 16075 1 22 . 1 1 55 55 LEU N N 55 122.788 122.788 119.886 2.902 25439 16076 1 22 . 1 1 55 55 LEU HA H 55 4.302 4.302 4.185 0.117 25439 16077 1 22 . 1 1 55 55 LEU CA C 55 58.685 58.685 57.991 0.694 25439 16078 1 22 . 1 1 55 55 LEU CB C 55 42.695 42.695 41.800 0.895 25439 16079 1 22 . 1 1 55 55 LEU H H 55 8.298 8.298 8.168 0.131 25439 16080 1 22 . 1 1 56 56 HIS N N 56 118.426 118.426 117.920 0.506 25439 16081 1 22 . 1 1 56 56 HIS HA H 56 4.317 4.317 4.157 0.160 25439 16082 1 22 . 1 1 56 56 HIS CA C 56 60.732 60.732 60.199 0.533 25439 16083 1 22 . 1 1 56 56 HIS CB C 56 30.530 30.530 29.643 0.887 25439 16084 1 22 . 1 1 56 56 HIS H H 56 8.416 8.416 7.773 0.643 25439 16085 1 22 . 1 1 57 57 HIS N N 57 121.197 121.197 119.307 1.890 25439 16086 1 22 . 1 1 57 57 HIS HA H 57 4.318 4.318 4.528 -0.210 25439 16087 1 22 . 1 1 57 57 HIS CA C 57 60.739 60.739 58.602 2.137 25439 16088 1 22 . 1 1 57 57 HIS CB C 57 28.726 28.726 30.182 -1.456 25439 16089 1 22 . 1 1 57 57 HIS H H 57 8.608 8.608 8.143 0.465 25439 16090 1 22 . 1 1 58 58 GLN N N 58 118.739 118.739 118.570 0.169 25439 16091 1 22 . 1 1 58 58 GLN HA H 58 4.202 4.202 4.161 0.041 25439 16092 1 22 . 1 1 58 58 GLN CA C 58 59.507 59.507 59.444 0.063 25439 16093 1 22 . 1 1 58 58 GLN CB C 58 29.111 29.111 28.662 0.449 25439 16094 1 22 . 1 1 58 58 GLN H H 58 9.206 9.206 8.272 0.934 25439 16095 1 22 . 1 1 59 59 ARG N N 59 122.498 122.498 120.396 2.102 25439 16096 1 22 . 1 1 59 59 ARG HA H 59 3.437 3.437 3.729 -0.292 25439 16097 1 22 . 1 1 59 59 ARG CA C 59 60.361 60.361 59.054 1.307 25439 16098 1 22 . 1 1 59 59 ARG H H 59 8.623 8.623 8.068 0.555 25439 16099 1 22 . 1 1 60 60 SER N N 60 114.930 114.930 115.415 -0.485 25439 16100 1 22 . 1 1 60 60 SER HA H 60 4.515 4.515 4.211 0.304 25439 16101 1 22 . 1 1 60 60 SER CA C 60 64.832 64.832 61.585 3.247 25439 16102 1 22 . 1 1 60 60 SER CB C 60 63.583 63.583 62.983 0.600 25439 16103 1 22 . 1 1 60 60 SER H H 60 7.993 7.993 8.326 -0.333 25439 16104 1 22 . 1 1 61 61 ARG N N 61 124.417 124.417 122.601 1.816 25439 16105 1 22 . 1 1 61 61 ARG HA H 61 4.204 4.204 4.061 0.143 25439 16106 1 22 . 1 1 61 61 ARG CA C 61 58.852 58.852 59.758 -0.906 25439 16107 1 22 . 1 1 61 61 ARG CB C 61 29.077 29.077 30.182 -1.105 25439 16108 1 22 . 1 1 61 61 ARG H H 61 9.569 9.569 8.446 1.123 25439 16109 1 22 . 1 1 62 62 TYR N N 62 124.484 124.484 121.043 3.441 25439 16110 1 22 . 1 1 62 62 TYR HA H 62 4.676 4.676 4.289 0.387 25439 16111 1 22 . 1 1 62 62 TYR CA C 62 61.006 61.006 62.026 -1.020 25439 16112 1 22 . 1 1 62 62 TYR CB C 62 38.392 38.392 38.704 -0.312 25439 16113 1 22 . 1 1 62 62 TYR H H 62 8.622 8.622 8.215 0.407 25439 16114 1 22 . 1 1 63 63 ILE N N 63 119.789 119.789 119.090 0.699 25439 16115 1 22 . 1 1 63 63 ILE HA H 63 3.492 3.492 3.732 -0.240 25439 16116 1 22 . 1 1 63 63 ILE CA C 63 65.693 65.693 65.680 0.013 25439 16117 1 22 . 1 1 63 63 ILE CB C 63 38.023 38.023 38.204 -0.181 25439 16118 1 22 . 1 1 63 63 ILE H H 63 7.588 7.588 8.227 -0.639 25439 16119 1 22 . 1 1 64 64 TYR N N 64 120.485 120.485 121.513 -1.028 25439 16120 1 22 . 1 1 64 64 TYR HA H 64 4.577 4.577 4.256 0.321 25439 16121 1 22 . 1 1 64 64 TYR CA C 64 61.759 61.759 62.884 -1.125 25439 16122 1 22 . 1 1 64 64 TYR CB C 64 39.772 39.772 38.484 1.288 25439 16123 1 22 . 1 1 64 64 TYR H H 64 9.166 9.166 9.215 -0.049 25439 16124 1 22 . 1 1 65 65 THR N N 65 117.072 117.072 117.304 -0.232 25439 16125 1 22 . 1 1 65 65 THR HA H 65 3.562 3.562 4.048 -0.486 25439 16126 1 22 . 1 1 65 65 THR CA C 65 67.016 67.016 67.876 -0.860 25439 16127 1 22 . 1 1 65 65 THR CB C 65 68.711 68.711 68.527 0.184 25439 16128 1 22 . 1 1 65 65 THR H H 65 8.987 8.987 8.914 0.073 25439 16129 1 22 . 1 1 66 66 LEU N N 66 122.107 122.107 120.506 1.601 25439 16130 1 22 . 1 1 66 66 LEU HA H 66 3.782 3.782 4.320 -0.538 25439 16131 1 22 . 1 1 66 66 LEU CA C 66 58.476 58.476 58.147 0.329 25439 16132 1 22 . 1 1 66 66 LEU CB C 66 43.183 43.183 41.013 2.170 25439 16133 1 22 . 1 1 66 66 LEU H H 66 8.286 8.286 7.654 0.632 25439 16134 1 22 . 1 1 67 67 TYR N N 67 115.264 115.264 119.486 -4.222 25439 16135 1 22 . 1 1 67 67 TYR HA H 67 4.344 4.344 4.052 0.292 25439 16136 1 22 . 1 1 67 67 TYR CA C 67 60.830 60.830 61.422 -0.592 25439 16137 1 22 . 1 1 67 67 TYR CB C 67 40.376 40.376 39.429 0.946 25439 16138 1 22 . 1 1 67 67 TYR H H 67 7.983 7.983 8.211 -0.228 25439 16139 1 22 . 1 1 68 68 TYR N N 68 113.945 113.945 116.514 -2.569 25439 16140 1 22 . 1 1 68 68 TYR HA H 68 3.699 3.699 4.228 -0.529 25439 16141 1 22 . 1 1 68 68 TYR CA C 68 62.030 62.030 60.201 1.829 25439 16142 1 22 . 1 1 68 68 TYR CB C 68 38.046 38.046 38.733 -0.687 25439 16143 1 22 . 1 1 68 68 TYR H H 68 8.297 8.297 8.210 0.087 25439 16144 1 22 . 1 1 69 69 LYS N N 69 114.346 114.346 118.495 -4.149 25439 16145 1 22 . 1 1 69 69 LYS HA H 69 4.564 4.564 4.567 -0.003 25439 16146 1 22 . 1 1 69 69 LYS CA C 69 56.821 56.821 56.719 0.102 25439 16147 1 22 . 1 1 69 69 LYS CB C 69 31.980 31.980 33.678 -1.698 25439 16148 1 22 . 1 1 69 69 LYS H H 69 7.084 7.084 7.542 -0.458 25439 16149 1 22 . 1 1 70 70 ARG N N 70 114.676 114.676 118.871 -4.195 25439 16150 1 22 . 1 1 70 70 ARG HA H 70 4.251 4.251 4.123 0.128 25439 16151 1 22 . 1 1 70 70 ARG CA C 70 56.314 56.314 56.983 -0.669 25439 16152 1 22 . 1 1 70 70 ARG CB C 70 31.128 31.128 30.533 0.595 25439 16153 1 22 . 1 1 70 70 ARG H H 70 8.178 8.178 8.238 -0.060 25439 16154 1 22 . 1 1 71 71 LYS N N 71 115.371 115.371 115.783 -0.412 25439 16155 1 22 . 1 1 71 71 LYS HA H 71 4.036 4.036 3.797 0.239 25439 16156 1 22 . 1 1 71 71 LYS CA C 71 57.121 57.121 57.294 -0.173 25439 16157 1 22 . 1 1 71 71 LYS CB C 71 28.897 28.897 30.222 -1.325 25439 16158 1 22 . 1 1 71 71 LYS H H 71 6.843 6.843 7.823 -0.980 25439 16159 1 22 . 1 1 72 72 ALA N N 72 117.701 117.701 121.104 -3.403 25439 16160 1 22 . 1 1 72 72 ALA HA H 72 4.395 4.395 4.460 -0.065 25439 16161 1 22 . 1 1 72 72 ALA CA C 72 52.597 52.597 52.052 0.545 25439 16162 1 22 . 1 1 72 72 ALA CB C 72 21.560 21.560 19.837 1.723 25439 16163 1 22 . 1 1 72 72 ALA H H 72 8.560 8.560 7.655 0.905 25439 16164 1 22 . 1 1 73 73 ILE N N 73 107.605 107.605 117.634 -10.029 25439 16165 1 22 . 1 1 73 73 ILE CB C 73 42.724 42.724 41.173 1.550 25439 16166 1 22 . 1 1 73 73 ILE H H 73 7.074 7.074 7.420 -0.346 25439 16167 1 22 . 1 1 74 74 SER N N 74 118.425 118.425 118.370 0.055 25439 16168 1 22 . 1 1 74 74 SER HA H 74 4.484 4.484 4.890 -0.406 25439 16169 1 22 . 1 1 74 74 SER CA C 74 57.082 57.082 57.309 -0.227 25439 16170 1 22 . 1 1 74 74 SER CB C 74 65.396 65.396 65.101 0.295 25439 16171 1 22 . 1 1 74 74 SER H H 74 8.797 8.797 8.384 0.413 25439 16172 1 22 . 1 1 75 75 LYS N N 75 121.891 121.891 124.541 -2.650 25439 16173 1 22 . 1 1 75 75 LYS HA H 75 3.851 3.851 4.216 -0.365 25439 16174 1 22 . 1 1 75 75 LYS CA C 75 59.624 59.624 60.056 -0.432 25439 16175 1 22 . 1 1 75 75 LYS CB C 75 32.368 32.368 32.456 -0.088 25439 16176 1 22 . 1 1 75 75 LYS H H 75 9.024 9.024 9.138 -0.114 25439 16177 1 22 . 1 1 76 76 ASP N N 76 115.908 115.908 118.760 -2.852 25439 16178 1 22 . 1 1 76 76 ASP HA H 76 4.423 4.423 4.415 0.008 25439 16179 1 22 . 1 1 76 76 ASP CA C 76 57.362 57.362 57.332 0.030 25439 16180 1 22 . 1 1 76 76 ASP CB C 76 40.391 40.391 40.278 0.113 25439 16181 1 22 . 1 1 76 76 ASP H H 76 8.161 8.161 8.503 -0.342 25439 16182 1 22 . 1 1 77 77 LEU N N 77 121.705 121.705 121.454 0.251 25439 16183 1 22 . 1 1 77 77 LEU HA H 77 4.180 4.180 4.098 0.082 25439 16184 1 22 . 1 1 77 77 LEU CA C 77 57.818 57.818 57.847 -0.029 25439 16185 1 22 . 1 1 77 77 LEU H H 77 8.345 8.345 7.730 0.615 25439 16186 1 22 . 1 1 78 78 TYR N N 78 121.511 121.511 119.674 1.837 25439 16187 1 22 . 1 1 78 78 TYR HA H 78 3.789 3.789 3.984 -0.195 25439 16188 1 22 . 1 1 78 78 TYR CA C 78 62.857 62.857 60.602 2.255 25439 16189 1 22 . 1 1 78 78 TYR CB C 78 38.369 38.369 37.764 0.605 25439 16190 1 22 . 1 1 78 78 TYR H H 78 8.598 8.598 8.522 0.076 25439 16191 1 22 . 1 1 79 79 ASP N N 79 117.189 117.189 119.628 -2.439 25439 16192 1 22 . 1 1 79 79 ASP HA H 79 4.066 4.066 3.988 0.078 25439 16193 1 22 . 1 1 79 79 ASP CA C 79 57.219 57.219 57.399 -0.180 25439 16194 1 22 . 1 1 79 79 ASP CB C 79 40.003 40.003 40.722 -0.719 25439 16195 1 22 . 1 1 79 79 ASP H H 79 9.106 9.106 8.510 0.596 25439 16196 1 22 . 1 1 80 80 TRP N N 80 123.400 123.400 122.580 0.820 25439 16197 1 22 . 1 1 80 80 TRP HA H 80 4.160 4.160 4.134 0.026 25439 16198 1 22 . 1 1 80 80 TRP CA C 80 62.368 62.368 61.904 0.464 25439 16199 1 22 . 1 1 80 80 TRP CB C 80 29.969 29.969 29.334 0.635 25439 16200 1 22 . 1 1 80 80 TRP H H 80 7.931 7.931 8.500 -0.569 25439 16201 1 22 . 1 1 81 81 LEU N N 81 119.674 119.674 118.714 0.960 25439 16202 1 22 . 1 1 81 81 LEU HA H 81 3.971 3.971 2.808 1.163 25439 16203 1 22 . 1 1 81 81 LEU CA C 81 58.294 58.294 57.537 0.757 25439 16204 1 22 . 1 1 81 81 LEU CB C 81 41.818 41.818 41.550 0.268 25439 16205 1 22 . 1 1 81 81 LEU H H 81 8.814 8.814 7.990 0.824 25439 16206 1 22 . 1 1 82 82 ILE N N 82 118.746 118.746 118.940 -0.194 25439 16207 1 22 . 1 1 82 82 ILE HA H 82 3.861 3.861 3.885 -0.024 25439 16208 1 22 . 1 1 82 82 ILE CA C 82 62.734 62.734 63.124 -0.390 25439 16209 1 22 . 1 1 82 82 ILE CB C 82 36.236 36.236 36.436 -0.200 25439 16210 1 22 . 1 1 82 82 ILE H H 82 7.886 7.886 7.585 0.301 25439 16211 1 22 . 1 1 83 83 LYS N N 83 124.819 124.819 119.084 5.735 25439 16212 1 22 . 1 1 83 83 LYS HA H 83 3.911 3.911 4.106 -0.195 25439 16213 1 22 . 1 1 83 83 LYS CA C 83 59.643 59.643 57.790 1.853 25439 16214 1 22 . 1 1 83 83 LYS CB C 83 32.027 32.027 32.860 -0.833 25439 16215 1 22 . 1 1 83 83 LYS H H 83 8.224 8.224 7.595 0.629 25439 16216 1 22 . 1 1 84 84 GLU N N 84 115.404 115.404 117.885 -2.481 25439 16217 1 22 . 1 1 84 84 GLU HA H 84 3.841 3.841 4.259 -0.418 25439 16218 1 22 . 1 1 84 84 GLU CA C 84 55.582 55.582 55.419 0.163 25439 16219 1 22 . 1 1 84 84 GLU CB C 84 29.459 29.459 28.683 0.776 25439 16220 1 22 . 1 1 84 84 GLU H H 84 8.138 8.138 7.251 0.887 25439 16221 1 22 . 1 1 85 85 LYS N N 85 111.563 111.563 118.894 -7.331 25439 16222 1 22 . 1 1 85 85 LYS HA H 85 3.820 3.820 3.957 -0.137 25439 16223 1 22 . 1 1 85 85 LYS CA C 85 57.890 57.890 57.100 0.790 25439 16224 1 22 . 1 1 85 85 LYS CB C 85 28.005 28.005 30.480 -2.475 25439 16225 1 22 . 1 1 85 85 LYS H H 85 7.719 7.719 7.815 -0.096 25439 16226 1 22 . 1 1 86 86 TYR N N 86 116.916 116.916 117.535 -0.619 25439 16227 1 22 . 1 1 86 86 TYR HA H 86 4.137 4.137 4.457 -0.320 25439 16228 1 22 . 1 1 86 86 TYR CA C 86 61.228 61.228 58.838 2.390 25439 16229 1 22 . 1 1 86 86 TYR CB C 86 39.535 39.535 41.046 -1.511 25439 16230 1 22 . 1 1 86 86 TYR H H 86 8.521 8.521 7.934 0.587 25439 16231 1 22 . 1 1 87 87 ALA N N 87 113.715 113.715 118.960 -5.245 25439 16232 1 22 . 1 1 87 87 ALA HA H 87 4.738 4.738 4.384 0.354 25439 16233 1 22 . 1 1 87 87 ALA CA C 87 49.121 49.121 50.538 -1.417 25439 16234 1 22 . 1 1 87 87 ALA CB C 87 23.295 23.295 21.948 1.347 25439 16235 1 22 . 1 1 87 87 ALA H H 87 6.959 6.959 7.652 -0.693 25439 16236 1 22 . 1 1 88 88 ASP N N 88 119.344 119.344 121.029 -1.685 25439 16237 1 22 . 1 1 88 88 ASP HA H 88 4.544 4.544 4.938 -0.394 25439 16238 1 22 . 1 1 88 88 ASP CA C 88 52.714 52.714 52.822 -0.108 25439 16239 1 22 . 1 1 88 88 ASP CB C 88 41.845 41.845 42.987 -1.142 25439 16240 1 22 . 1 1 88 88 ASP H H 88 7.870 7.870 8.492 -0.622 25439 16241 1 22 . 1 1 89 89 LYS N N 89 125.312 125.312 126.336 -1.024 25439 16242 1 22 . 1 1 89 89 LYS HA H 89 3.834 3.834 4.091 -0.257 25439 16243 1 22 . 1 1 89 89 LYS CA C 89 59.409 59.409 59.447 -0.038 25439 16244 1 22 . 1 1 89 89 LYS CB C 89 32.848 32.848 32.338 0.510 25439 16245 1 22 . 1 1 89 89 LYS H H 89 8.467 8.467 8.807 -0.340 25439 16246 1 22 . 1 1 90 90 LEU N N 90 119.899 119.899 121.544 -1.645 25439 16247 1 22 . 1 1 90 90 LEU HA H 90 4.023 4.023 4.022 0.001 25439 16248 1 22 . 1 1 90 90 LEU CA C 90 57.049 57.049 57.953 -0.904 25439 16249 1 22 . 1 1 90 90 LEU CB C 90 41.099 41.099 41.664 -0.565 25439 16250 1 22 . 1 1 90 90 LEU H H 90 8.076 8.076 8.065 0.011 25439 16251 1 22 . 1 1 91 91 LEU N N 91 123.148 123.148 120.550 2.598 25439 16252 1 22 . 1 1 91 91 LEU HA H 91 3.498 3.498 3.774 -0.276 25439 16253 1 22 . 1 1 91 91 LEU CA C 91 56.971 56.971 57.996 -1.025 25439 16254 1 22 . 1 1 91 91 LEU CB C 91 41.823 41.823 41.076 0.747 25439 16255 1 22 . 1 1 91 91 LEU H H 91 7.120 7.120 8.430 -1.310 25439 16256 1 22 . 1 1 92 92 ILE N N 92 116.780 116.780 118.738 -1.958 25439 16257 1 22 . 1 1 92 92 ILE HA H 92 3.265 3.265 3.864 -0.599 25439 16258 1 22 . 1 1 92 92 ILE CA C 92 65.178 65.178 65.533 -0.355 25439 16259 1 22 . 1 1 92 92 ILE CB C 92 38.209 38.209 37.785 0.424 25439 16260 1 22 . 1 1 92 92 ILE H H 92 7.384 7.384 7.847 -0.463 25439 16261 1 22 . 1 1 93 93 ALA N N 93 117.061 117.061 122.557 -5.496 25439 16262 1 22 . 1 1 93 93 ALA HA H 93 3.930 3.930 4.056 -0.126 25439 16263 1 22 . 1 1 93 93 ALA CA C 93 54.839 54.839 55.548 -0.709 25439 16264 1 22 . 1 1 93 93 ALA CB C 93 18.125 18.125 18.171 -0.045 25439 16265 1 22 . 1 1 93 93 ALA H H 93 7.437 7.437 8.846 -1.409 25439 16266 1 22 . 1 1 94 94 LYS N N 94 116.036 116.036 118.732 -2.696 25439 16267 1 22 . 1 1 94 94 LYS HA H 94 3.803 3.803 3.554 0.249 25439 16268 1 22 . 1 1 94 94 LYS CA C 94 56.945 56.945 58.436 -1.491 25439 16269 1 22 . 1 1 94 94 LYS CB C 94 31.047 31.047 31.653 -0.606 25439 16270 1 22 . 1 1 94 94 LYS H H 94 7.012 7.012 7.906 -0.894 25439 16271 1 22 . 1 1 95 95 TRP N N 95 118.700 118.700 116.727 1.973 25439 16272 1 22 . 1 1 95 95 TRP HA H 95 4.814 4.814 4.512 0.302 25439 16273 1 22 . 1 1 95 95 TRP CA C 95 57.136 57.136 59.409 -2.273 25439 16274 1 22 . 1 1 95 95 TRP CB C 95 28.171 28.171 29.111 -0.941 25439 16275 1 22 . 1 1 95 95 TRP H H 95 7.611 7.611 7.494 0.117 25439 16276 1 22 . 1 1 96 96 ARG N N 96 113.031 113.031 116.297 -3.266 25439 16277 1 22 . 1 1 96 96 ARG HA H 96 4.233 4.233 4.299 -0.066 25439 16278 1 22 . 1 1 96 96 ARG CA C 96 56.234 56.234 57.842 -1.607 25439 16279 1 22 . 1 1 96 96 ARG CB C 96 30.245 30.245 30.762 -0.517 25439 16280 1 22 . 1 1 96 96 ARG H H 96 7.066 7.066 7.505 -0.439 25439 16281 1 22 . 1 1 97 97 LYS N N 97 123.252 123.252 119.163 4.089 25439 16282 1 22 . 1 1 97 97 LYS HA H 97 4.634 4.634 4.304 0.330 25439 16283 1 22 . 1 1 97 97 LYS CA C 97 54.937 54.937 57.134 -2.197 25439 16284 1 22 . 1 1 97 97 LYS CB C 97 34.166 34.166 32.788 1.378 25439 16285 1 22 . 1 1 97 97 LYS H H 97 8.467 8.467 8.162 0.305 25439 16286 1 22 . 1 1 98 98 THR N N 98 119.993 119.993 112.690 7.303 25439 16287 1 22 . 1 1 98 98 THR HA H 98 4.224 4.224 4.483 -0.259 25439 16288 1 22 . 1 1 98 98 THR CA C 98 64.670 64.670 61.850 2.820 25439 16289 1 22 . 1 1 98 98 THR CB C 98 69.200 69.200 69.355 -0.155 25439 16290 1 22 . 1 1 98 98 THR H H 98 8.329 8.329 8.251 0.078 25439 16291 1 22 . 1 1 99 99 GLY N N 99 116.645 116.645 112.424 4.221 25439 16292 1 22 . 1 1 99 99 GLY CA C 99 45.047 45.047 44.868 0.179 25439 16293 1 22 . 1 1 99 99 GLY H H 99 9.273 9.273 8.726 0.547 25439 16294 1 22 . 1 1 100 100 TYR N N 100 120.784 120.784 119.929 0.855 25439 16295 1 22 . 1 1 100 100 TYR HA H 100 4.704 4.704 4.777 -0.073 25439 16296 1 22 . 1 1 100 100 TYR CA C 100 57.697 57.697 55.945 1.752 25439 16297 1 22 . 1 1 100 100 TYR CB C 100 39.413 39.413 37.292 2.121 25439 16298 1 22 . 1 1 100 100 TYR H H 100 8.457 8.457 8.233 0.224 25439 16299 1 22 . 1 1 101 101 GLU N N 101 119.482 119.482 121.549 -2.067 25439 16300 1 22 . 1 1 101 101 GLU HA H 101 4.601 4.601 4.494 0.107 25439 16301 1 22 . 1 1 101 101 GLU CA C 101 61.207 61.207 57.477 3.730 25439 16302 1 22 . 1 1 101 101 GLU CB C 101 29.648 29.648 30.527 -0.879 25439 16303 1 22 . 1 1 101 101 GLU H H 101 9.836 9.836 8.688 1.148 25439 16304 1 22 . 1 1 102 102 LYS N N 102 115.179 115.179 120.813 -5.634 25439 16305 1 22 . 1 1 102 102 LYS HA H 102 4.295 4.295 4.691 -0.396 25439 16306 1 22 . 1 1 102 102 LYS CA C 102 54.207 54.207 55.620 -1.413 25439 16307 1 22 . 1 1 102 102 LYS CB C 102 32.489 32.489 32.656 -0.167 25439 16308 1 22 . 1 1 102 102 LYS H H 102 8.291 8.291 7.817 0.474 25439 16309 1 22 . 1 1 103 103 LEU N N 103 119.637 119.637 118.949 0.688 25439 16310 1 22 . 1 1 103 103 LEU HA H 103 4.385 4.385 5.025 -0.640 25439 16311 1 22 . 1 1 103 103 LEU CA C 103 56.549 56.549 53.959 2.590 25439 16312 1 22 . 1 1 103 103 LEU CB C 103 43.864 43.864 44.652 -0.788 25439 16313 1 22 . 1 1 103 103 LEU H H 103 7.642 7.642 7.930 -0.288 25439 16314 1 22 . 1 1 104 104 CYS N N 104 129.651 129.651 117.425 12.226 25439 16315 1 22 . 1 1 104 104 CYS HA H 104 4.498 4.498 4.895 -0.397 25439 16316 1 22 . 1 1 104 104 CYS CA C 104 58.076 58.076 58.410 -0.334 25439 16317 1 22 . 1 1 104 104 CYS CB C 104 32.301 32.301 28.199 4.102 25439 16318 1 22 . 1 1 104 104 CYS H H 104 8.638 8.638 8.770 -0.132 25439 16319 1 22 . 1 1 105 105 CYS N N 105 120.206 120.206 117.938 2.268 25439 16320 1 22 . 1 1 105 105 CYS HA H 105 4.806 4.806 4.710 0.096 25439 16321 1 22 . 1 1 105 105 CYS CA C 105 58.271 58.271 57.186 1.085 25439 16322 1 22 . 1 1 105 105 CYS CB C 105 32.062 32.062 29.900 2.162 25439 16323 1 22 . 1 1 105 105 CYS H H 105 8.158 8.158 7.859 0.299 25439 16324 1 22 . 1 1 106 106 LEU N N 106 115.513 115.513 120.500 -4.987 25439 16325 1 22 . 1 1 106 106 LEU HA H 106 4.054 4.054 4.234 -0.180 25439 16326 1 22 . 1 1 106 106 LEU CA C 106 56.110 56.110 56.785 -0.675 25439 16327 1 22 . 1 1 106 106 LEU CB C 106 41.227 41.227 42.138 -0.911 25439 16328 1 22 . 1 1 106 106 LEU H H 106 8.466 8.466 7.976 0.490 25439 16329 1 22 . 1 1 107 107 ARG N N 107 122.711 122.711 118.907 3.804 25439 16330 1 22 . 1 1 107 107 ARG HA H 107 3.993 3.993 4.312 -0.319 25439 16331 1 22 . 1 1 107 107 ARG CA C 107 58.311 58.311 56.278 2.033 25439 16332 1 22 . 1 1 107 107 ARG CB C 107 28.965 28.965 29.730 -0.765 25439 16333 1 22 . 1 1 107 107 ARG H H 107 8.131 8.131 8.115 0.016 25439 16334 1 22 . 1 1 108 108 CYS N N 108 119.055 119.055 118.007 1.048 25439 16335 1 22 . 1 1 108 108 CYS HA H 108 4.101 4.101 4.738 -0.637 25439 16336 1 22 . 1 1 108 108 CYS CA C 108 63.936 63.936 57.603 6.333 25439 16337 1 22 . 1 1 108 108 CYS CB C 108 30.934 30.934 27.273 3.661 25439 16338 1 22 . 1 1 108 108 CYS H H 108 8.010 8.010 7.902 0.108 25439 16339 1 22 . 1 1 109 109 ILE N N 109 107.315 107.315 114.204 -6.889 25439 16340 1 22 . 1 1 109 109 ILE HA H 109 4.684 4.684 4.469 0.215 25439 16341 1 22 . 1 1 109 109 ILE CA C 109 60.483 60.483 60.857 -0.374 25439 16342 1 22 . 1 1 109 109 ILE CB C 109 38.320 38.320 38.919 -0.598 25439 16343 1 22 . 1 1 109 109 ILE H H 109 7.105 7.105 7.564 -0.459 25439 16344 1 22 . 1 1 110 110 GLN N N 110 122.468 122.468 121.238 1.230 25439 16345 1 22 . 1 1 110 110 GLN HA H 110 4.268 4.268 4.427 -0.159 25439 16346 1 22 . 1 1 110 110 GLN CA C 110 55.981 55.981 55.819 0.162 25439 16347 1 22 . 1 1 110 110 GLN CB C 110 29.656 29.656 28.291 1.365 25439 16348 1 22 . 1 1 110 110 GLN H H 110 7.156 7.156 8.128 -0.972 25439 16349 1 22 . 1 1 111 111 LYS N N 111 124.650 124.650 123.178 1.472 25439 16350 1 22 . 1 1 111 111 LYS HA H 111 4.246 4.246 4.326 -0.080 25439 16351 1 22 . 1 1 111 111 LYS CA C 111 56.546 56.546 56.944 -0.398 25439 16352 1 22 . 1 1 111 111 LYS CB C 111 32.846 32.846 33.602 -0.756 25439 16353 1 22 . 1 1 111 111 LYS H H 111 8.522 8.522 8.186 0.336 25439 16354 1 22 . 1 1 112 112 ASN N N 112 120.972 120.972 116.049 4.923 25439 16355 1 22 . 1 1 112 112 ASN HA H 112 4.778 4.778 4.699 0.079 25439 16356 1 22 . 1 1 112 112 ASN CA C 112 52.902 52.902 52.712 0.191 25439 16357 1 22 . 1 1 112 112 ASN CB C 112 39.328 39.328 39.663 -0.334 25439 16358 1 22 . 1 1 112 112 ASN H H 112 8.360 8.360 8.166 0.194 25439 16359 1 22 . 1 1 113 113 GLU N N 113 121.710 121.710 117.893 3.817 25439 16360 1 22 . 1 1 113 113 GLU HA H 113 4.248 4.248 4.102 0.146 25439 16361 1 22 . 1 1 113 113 GLU CA C 113 58.611 58.611 57.614 0.997 25439 16362 1 22 . 1 1 113 113 GLU CB C 113 29.590 29.590 28.111 1.479 25439 16363 1 22 . 1 1 113 113 GLU H H 113 9.023 9.023 8.816 0.207 25439 16364 1 22 . 1 1 114 114 THR N N 114 112.186 112.186 109.835 2.351 25439 16365 1 22 . 1 1 114 114 THR HA H 114 4.321 4.321 4.662 -0.341 25439 16366 1 22 . 1 1 114 114 THR CA C 114 63.161 63.161 61.087 2.074 25439 16367 1 22 . 1 1 114 114 THR CB C 114 69.481 69.481 70.951 -1.470 25439 16368 1 22 . 1 1 114 114 THR H H 114 8.112 8.112 7.897 0.215 25439 16369 1 22 . 1 1 115 115 ASN N N 115 119.112 119.112 118.208 0.904 25439 16370 1 22 . 1 1 115 115 ASN HA H 115 4.829 4.829 4.742 0.087 25439 16371 1 22 . 1 1 115 115 ASN CA C 115 53.110 53.110 53.266 -0.156 25439 16372 1 22 . 1 1 115 115 ASN CB C 115 38.659 38.659 39.467 -0.808 25439 16373 1 22 . 1 1 115 115 ASN H H 115 8.047 8.047 8.658 -0.611 25439 16374 1 22 . 1 1 116 116 ASN N N 116 117.175 117.175 120.022 -2.847 25439 16375 1 22 . 1 1 116 116 ASN HA H 116 4.615 4.615 4.948 -0.333 25439 16376 1 22 . 1 1 116 116 ASN CA C 116 53.965 53.965 52.788 1.177 25439 16377 1 22 . 1 1 116 116 ASN CB C 116 38.173 38.173 38.897 -0.724 25439 16378 1 22 . 1 1 116 116 ASN H H 116 8.364 8.364 8.219 0.145 25439 16379 1 22 . 1 1 117 117 GLY N N 117 107.294 107.294 110.965 -3.671 25439 16380 1 22 . 1 1 117 117 GLY CA C 117 45.882 45.882 44.567 1.315 25439 16381 1 22 . 1 1 117 117 GLY H H 117 8.264 8.264 8.179 0.085 25439 16382 1 22 . 1 1 118 118 SER N N 118 115.475 115.475 114.505 0.970 25439 16383 1 22 . 1 1 118 118 SER HA H 118 4.586 4.586 4.676 -0.090 25439 16384 1 22 . 1 1 118 118 SER CA C 118 57.974 57.974 57.685 0.289 25439 16385 1 22 . 1 1 118 118 SER CB C 118 64.479 64.479 65.494 -1.015 25439 16386 1 22 . 1 1 118 118 SER H H 118 7.905 7.905 8.377 -0.472 25439 16387 1 22 . 1 1 119 119 THR N N 119 111.360 111.360 116.543 -5.183 25439 16388 1 22 . 1 1 119 119 THR HA H 119 4.450 4.450 4.589 -0.139 25439 16389 1 22 . 1 1 119 119 THR CA C 119 61.215 61.215 61.319 -0.104 25439 16390 1 22 . 1 1 119 119 THR CB C 119 70.569 70.569 70.490 0.079 25439 16391 1 22 . 1 1 119 119 THR H H 119 8.044 8.044 8.106 -0.062 25439 16392 1 22 . 1 1 120 120 CYS N N 120 122.708 122.708 122.624 0.084 25439 16393 1 22 . 1 1 120 120 CYS HA H 120 4.255 4.255 4.521 -0.266 25439 16394 1 22 . 1 1 120 120 CYS CA C 120 61.469 61.469 58.473 2.996 25439 16395 1 22 . 1 1 120 120 CYS CB C 120 30.892 30.892 28.332 2.560 25439 16396 1 22 . 1 1 120 120 CYS H H 120 8.045 8.045 8.609 -0.564 25439 16397 1 22 . 1 1 121 121 ILE N N 121 132.463 132.463 124.091 8.372 25439 16398 1 22 . 1 1 121 121 ILE HA H 121 4.025 4.025 3.733 0.292 25439 16399 1 22 . 1 1 121 121 ILE CA C 121 63.353 63.353 63.181 0.172 25439 16400 1 22 . 1 1 121 121 ILE CB C 121 38.222 38.222 37.515 0.707 25439 16401 1 22 . 1 1 121 121 ILE H H 121 8.237 8.237 8.611 -0.374 25439 16402 1 22 . 1 1 122 122 CYS N N 122 123.931 123.931 117.299 6.632 25439 16403 1 22 . 1 1 122 122 CYS HA H 122 4.233 4.233 3.873 0.360 25439 16404 1 22 . 1 1 122 122 CYS CA C 122 60.230 60.230 60.361 -0.132 25439 16405 1 22 . 1 1 122 122 CYS CB C 122 30.602 30.602 25.908 4.694 25439 16406 1 22 . 1 1 122 122 CYS H H 122 9.355 9.355 7.392 1.963 25439 16407 1 22 . 1 1 123 123 ARG N N 123 119.561 119.561 120.990 -1.429 25439 16408 1 22 . 1 1 123 123 ARG HA H 123 4.150 4.150 4.312 -0.162 25439 16409 1 22 . 1 1 123 123 ARG CA C 123 53.177 53.177 57.959 -4.782 25439 16410 1 22 . 1 1 123 123 ARG CB C 123 27.961 27.961 30.171 -2.210 25439 16411 1 22 . 1 1 123 123 ARG H H 123 7.677 7.677 7.667 0.010 25439 16412 1 22 . 1 1 124 124 VAL N N 124 122.794 122.794 120.978 1.816 25439 16413 1 22 . 1 1 124 124 VAL HA H 124 4.081 4.081 3.977 0.104 25439 16414 1 22 . 1 1 124 124 VAL CA C 124 60.647 60.647 61.187 -0.540 25439 16415 1 22 . 1 1 124 124 VAL CB C 124 32.857 32.857 31.470 1.387 25439 16416 1 22 . 1 1 124 124 VAL H H 124 7.578 7.578 7.236 0.342 25439 16417 1 22 . 1 1 125 125 PRO HA H 125 4.263 4.263 4.468 -0.205 25439 16418 1 22 . 1 1 125 125 PRO CA C 125 63.268 63.268 62.345 0.923 25439 16419 1 22 . 1 1 125 125 PRO CB C 125 32.379 32.379 32.891 -0.512 25439 16420 1 22 . 1 1 126 126 ARG N N 126 128.350 128.350 118.714 9.636 25439 16421 1 22 . 1 1 126 126 ARG HA H 126 3.912 3.912 4.083 -0.171 25439 16422 1 22 . 1 1 126 126 ARG CA C 126 59.653 59.653 58.969 0.683 25439 16423 1 22 . 1 1 126 126 ARG CB C 126 29.339 29.339 29.788 -0.449 25439 16424 1 22 . 1 1 126 126 ARG H H 126 9.534 9.534 8.856 0.678 25439 16425 1 22 . 1 1 127 127 ALA N N 127 119.169 119.169 121.589 -2.420 25439 16426 1 22 . 1 1 127 127 ALA HA H 127 4.192 4.192 3.870 0.322 25439 16427 1 22 . 1 1 127 127 ALA CA C 127 55.227 55.227 55.450 -0.223 25439 16428 1 22 . 1 1 127 127 ALA CB C 127 18.363 18.363 18.100 0.263 25439 16429 1 22 . 1 1 127 127 ALA H H 127 9.263 9.263 8.559 0.704 25439 16430 1 22 . 1 1 128 128 GLN N N 128 117.345 117.345 118.304 -0.959 25439 16431 1 22 . 1 1 128 128 GLN HA H 128 4.209 4.209 4.082 0.127 25439 16432 1 22 . 1 1 128 128 GLN CA C 128 58.506 58.506 58.587 -0.081 25439 16433 1 22 . 1 1 128 128 GLN CB C 128 28.220 28.220 28.504 -0.284 25439 16434 1 22 . 1 1 128 128 GLN H H 128 7.448 7.448 7.901 -0.453 25439 16435 1 22 . 1 1 129 129 LEU N N 129 120.561 120.561 120.284 0.277 25439 16436 1 22 . 1 1 129 129 LEU HA H 129 4.088 4.088 4.236 -0.148 25439 16437 1 22 . 1 1 129 129 LEU CA C 129 57.952 57.952 57.645 0.307 25439 16438 1 22 . 1 1 129 129 LEU CB C 129 41.817 41.817 41.935 -0.118 25439 16439 1 22 . 1 1 129 129 LEU H H 129 7.622 7.622 7.607 0.015 25439 16440 1 22 . 1 1 130 130 GLU N N 130 119.122 119.122 118.433 0.689 25439 16441 1 22 . 1 1 130 130 GLU HA H 130 3.956 3.956 3.932 0.024 25439 16442 1 22 . 1 1 130 130 GLU CA C 130 59.353 59.353 59.850 -0.497 25439 16443 1 22 . 1 1 130 130 GLU CB C 130 29.337 29.337 29.184 0.153 25439 16444 1 22 . 1 1 130 130 GLU H H 130 8.656 8.656 8.584 0.072 25439 16445 1 22 . 1 1 131 131 GLU N N 131 121.469 121.469 119.079 2.390 25439 16446 1 22 . 1 1 131 131 GLU HA H 131 4.163 4.163 4.015 0.148 25439 16447 1 22 . 1 1 131 131 GLU CA C 131 59.288 59.288 59.530 -0.242 25439 16448 1 22 . 1 1 131 131 GLU CB C 131 29.422 29.422 29.391 0.031 25439 16449 1 22 . 1 1 131 131 GLU H H 131 7.922 7.922 7.897 0.025 25439 16450 1 22 . 1 1 132 132 GLU N N 132 119.241 119.241 119.746 -0.505 25439 16451 1 22 . 1 1 132 132 GLU HA H 132 3.998 3.998 3.988 0.010 25439 16452 1 22 . 1 1 132 132 GLU CA C 132 59.327 59.327 59.423 -0.096 25439 16453 1 22 . 1 1 132 132 GLU CB C 132 29.421 29.421 29.313 0.108 25439 16454 1 22 . 1 1 132 132 GLU H H 132 8.099 8.099 7.527 0.572 25439 16455 1 22 . 1 1 133 133 ALA N N 133 121.302 121.302 122.206 -0.904 25439 16456 1 22 . 1 1 133 133 ALA HA H 133 4.053 4.053 4.011 0.042 25439 16457 1 22 . 1 1 133 133 ALA CA C 133 54.973 54.973 55.184 -0.211 25439 16458 1 22 . 1 1 133 133 ALA CB C 133 18.154 18.154 18.379 -0.225 25439 16459 1 22 . 1 1 133 133 ALA H H 133 7.795 7.795 7.607 0.188 25439 16460 1 22 . 1 1 134 134 ARG N N 134 118.757 118.757 117.983 0.774 25439 16461 1 22 . 1 1 134 134 ARG HA H 134 4.143 4.143 4.033 0.110 25439 16462 1 22 . 1 1 134 134 ARG CA C 134 59.438 59.438 59.036 0.402 25439 16463 1 22 . 1 1 134 134 ARG CB C 134 30.148 30.148 30.289 -0.141 25439 16464 1 22 . 1 1 134 134 ARG H H 134 8.145 8.145 8.029 0.116 25439 16465 1 22 . 1 1 135 135 LYS N N 135 119.496 119.496 117.397 2.099 25439 16466 1 22 . 1 1 135 135 LYS HA H 135 4.073 4.073 4.275 -0.202 25439 16467 1 22 . 1 1 135 135 LYS CA C 135 59.327 59.327 58.318 1.009 25439 16468 1 22 . 1 1 135 135 LYS CB C 135 32.539 32.539 32.836 -0.297 25439 16469 1 22 . 1 1 135 135 LYS H H 135 8.036 8.036 7.628 0.408 25439 16470 1 22 . 1 1 136 136 LYS N N 136 116.645 116.645 117.586 -0.941 25439 16471 1 22 . 1 1 136 136 LYS HA H 136 4.362 4.362 4.278 0.084 25439 16472 1 22 . 1 1 136 136 LYS CA C 136 56.575 56.575 56.780 -0.205 25439 16473 1 22 . 1 1 136 136 LYS CB C 136 33.629 33.629 33.268 0.361 25439 16474 1 22 . 1 1 136 136 LYS H H 136 7.682 7.682 8.255 -0.573 25439 16475 1 22 . 1 1 137 137 GLY N N 137 109.349 109.349 106.796 2.553 25439 16476 1 22 . 1 1 137 137 GLY CA C 137 46.358 46.358 45.428 0.930 25439 16477 1 22 . 1 1 137 137 GLY H H 137 8.064 8.064 8.334 -0.270 25439 16478 1 22 . 1 1 138 138 THR N N 138 112.870 112.870 114.564 -1.694 25439 16479 1 22 . 1 1 138 138 THR HA H 138 4.735 4.735 4.512 0.223 25439 16480 1 22 . 1 1 138 138 THR CA C 138 59.308 59.308 60.947 -1.639 25439 16481 1 22 . 1 1 138 138 THR CB C 138 70.755 70.755 69.302 1.453 25439 16482 1 22 . 1 1 138 138 THR H H 138 8.111 8.111 7.877 0.234 25439 16483 1 22 . 1 1 139 139 GLN N N 139 118.177 118.177 118.372 -0.195 25439 16484 1 22 . 1 1 139 139 GLN HA H 139 4.609 4.609 3.907 0.702 25439 16485 1 22 . 1 1 139 139 GLN CA C 139 54.435 54.435 57.339 -2.904 25439 16486 1 22 . 1 1 139 139 GLN CB C 139 30.777 30.777 28.742 2.035 25439 16487 1 22 . 1 1 139 139 GLN H H 139 8.227 8.227 8.259 -0.032 25439 16488 1 22 . 1 1 140 140 VAL N N 140 123.601 123.601 117.177 6.424 25439 16489 1 22 . 1 1 140 140 VAL HA H 140 3.790 3.790 4.225 -0.435 25439 16490 1 22 . 1 1 140 140 VAL CA C 140 63.934 63.934 61.884 2.050 25439 16491 1 22 . 1 1 140 140 VAL CB C 140 32.154 32.154 34.684 -2.530 25439 16492 1 22 . 1 1 140 140 VAL H H 140 8.839 8.839 8.345 0.494 25439 16493 1 22 . 1 1 141 141 SER HA H 141 4.524 4.524 4.598 -0.074 25439 16494 1 22 . 1 1 141 141 SER CA C 141 57.841 57.841 58.198 -0.357 25439 16495 1 22 . 1 1 141 141 SER CB C 141 64.174 64.174 63.807 0.367 25439 16496 1 22 . 1 1 142 142 PHE N N 142 123.726 123.726 125.982 -2.256 25439 16497 1 22 . 1 1 142 142 PHE HA H 142 4.458 4.458 4.657 -0.199 25439 16498 1 22 . 1 1 142 142 PHE CA C 142 58.673 58.673 57.617 1.056 25439 16499 1 22 . 1 1 142 142 PHE CB C 142 40.055 40.055 41.343 -1.288 25439 16500 1 22 . 1 1 142 142 PHE H H 142 7.534 7.534 8.116 -0.582 25439 16501 1 22 . 1 1 143 143 HIS N N 143 126.548 126.548 118.911 7.637 25439 16502 1 22 . 1 1 143 143 HIS HA H 143 4.336 4.336 4.484 -0.148 25439 16503 1 22 . 1 1 143 143 HIS CA C 143 56.837 56.837 56.328 0.509 25439 16504 1 22 . 1 1 143 143 HIS CB C 143 31.949 31.949 32.636 -0.687 25439 16505 1 22 . 1 1 143 143 HIS H H 143 8.308 8.308 7.145 1.163 25439 16506 1 22 . 1 1 144 144 GLN N N 144 115.094 115.094 115.990 -0.896 25439 16507 1 22 . 1 1 144 144 GLN HA H 144 4.433 4.433 4.467 -0.034 25439 16508 1 22 . 1 1 144 144 GLN CA C 144 54.210 54.210 53.288 0.922 25439 16509 1 22 . 1 1 144 144 GLN CB C 144 32.925 32.925 31.727 1.198 25439 16510 1 22 . 1 1 144 144 GLN H H 144 7.203 7.203 7.005 0.198 25439 16511 1 22 . 1 1 145 145 CYS N N 145 123.088 123.088 118.081 5.007 25439 16512 1 22 . 1 1 145 145 CYS HA H 145 4.961 4.961 5.015 -0.054 25439 16513 1 22 . 1 1 145 145 CYS CA C 145 57.978 57.978 56.911 1.067 25439 16514 1 22 . 1 1 145 145 CYS CB C 145 33.555 33.555 29.782 3.773 25439 16515 1 22 . 1 1 145 145 CYS H H 145 8.668 8.668 8.515 0.153 25439 16516 1 22 . 1 1 146 146 VAL N N 146 113.265 113.265 121.412 -8.147 25439 16517 1 22 . 1 1 146 146 VAL HA H 146 4.238 4.238 4.158 0.080 25439 16518 1 22 . 1 1 146 146 VAL CA C 146 64.001 64.001 65.081 -1.080 25439 16519 1 22 . 1 1 146 146 VAL CB C 146 32.157 32.157 32.277 -0.120 25439 16520 1 22 . 1 1 146 146 VAL H H 146 8.198 8.198 8.464 -0.266 25439 16521 1 22 . 1 1 147 147 HIS N N 147 120.556 120.556 118.204 2.352 25439 16522 1 22 . 1 1 147 147 HIS HA H 147 4.604 4.604 4.347 0.257 25439 16523 1 22 . 1 1 147 147 HIS CA C 147 58.708 58.708 58.367 0.341 25439 16524 1 22 . 1 1 147 147 HIS CB C 147 32.204 32.204 29.297 2.907 25439 16525 1 22 . 1 1 147 147 HIS H H 147 7.151 7.151 8.331 -1.180 25439 16526 1 22 . 1 1 148 148 CYS N N 148 112.110 112.110 112.170 -0.060 25439 16527 1 22 . 1 1 148 148 CYS HA H 148 4.889 4.889 4.843 0.046 25439 16528 1 22 . 1 1 148 148 CYS CA C 148 57.952 57.952 55.559 2.393 25439 16529 1 22 . 1 1 148 148 CYS CB C 148 32.956 32.956 30.234 2.722 25439 16530 1 22 . 1 1 148 148 CYS H H 148 7.413 7.413 7.274 0.140 25439 16531 1 22 . 1 1 149 149 GLY N N 149 112.797 112.797 108.285 4.512 25439 16532 1 22 . 1 1 149 149 GLY CA C 149 45.327 45.327 44.379 0.948 25439 16533 1 22 . 1 1 149 149 GLY H H 149 6.949 6.949 8.332 -1.383 25439 16534 1 22 . 1 1 150 150 CYS N N 150 127.277 127.277 120.416 6.861 25439 16535 1 22 . 1 1 150 150 CYS HA H 150 3.932 3.932 4.552 -0.620 25439 16536 1 22 . 1 1 150 150 CYS CA C 150 61.362 61.362 57.312 4.050 25439 16537 1 22 . 1 1 150 150 CYS CB C 150 30.632 30.632 29.957 0.675 25439 16538 1 22 . 1 1 150 150 CYS H H 150 8.240 8.240 7.155 1.085 25439 16539 1 22 . 1 1 151 151 ARG N N 151 125.476 125.476 127.604 -2.128 25439 16540 1 22 . 1 1 151 151 ARG HA H 151 4.775 4.775 4.367 0.408 25439 16541 1 22 . 1 1 151 151 ARG CA C 151 56.164 56.164 55.633 0.531 25439 16542 1 22 . 1 1 151 151 ARG CB C 151 30.354 30.354 29.835 0.519 25439 16543 1 22 . 1 1 151 151 ARG H H 151 8.492 8.492 8.627 -0.135 25439 16544 1 22 . 1 1 152 152 GLY N N 152 117.275 117.275 108.595 8.680 25439 16545 1 22 . 1 1 152 152 GLY CA C 152 45.523 45.523 45.316 0.207 25439 16546 1 22 . 1 1 152 152 GLY H H 152 9.812 9.812 7.642 2.170 25439 16547 1 22 . 1 1 153 153 CYS N N 153 126.187 126.187 118.759 7.428 25439 16548 1 22 . 1 1 153 153 CYS HA H 153 4.842 4.842 4.827 0.015 25439 16549 1 22 . 1 1 153 153 CYS CA C 153 57.130 57.130 55.775 1.355 25439 16550 1 22 . 1 1 153 153 CYS CB C 153 31.368 31.368 27.925 3.443 25439 16551 1 22 . 1 1 153 153 CYS H H 153 8.930 8.930 8.231 0.699 25439 16552 1 22 . 1 1 154 154 ALA N N 154 125.869 125.869 126.069 -0.200 25439 16553 1 22 . 1 1 154 154 ALA HA H 154 4.159 4.159 4.976 -0.817 25439 16554 1 22 . 1 1 154 154 ALA CA C 154 53.187 53.187 51.365 1.822 25439 16555 1 22 . 1 1 154 154 ALA CB C 154 18.937 18.937 21.193 -2.256 25439 16556 1 22 . 1 1 154 154 ALA H H 154 8.616 8.616 8.455 0.161 25439 16557 1 22 . 1 1 155 155 SER N N 155 116.724 116.724 118.335 -1.611 25439 16558 1 22 . 1 1 155 155 SER HA H 155 4.283 4.283 4.393 -0.110 25439 16559 1 22 . 1 1 155 155 SER CA C 155 60.136 60.136 60.266 -0.130 25439 16560 1 22 . 1 1 155 155 SER CB C 155 63.575 63.575 63.465 0.110 25439 16561 1 22 . 1 1 155 155 SER H H 155 9.358 9.358 8.810 0.548 25439 16562 1 22 . 1 1 156 156 THR N N 156 111.893 111.893 114.321 -2.428 25439 16563 1 22 . 1 1 156 156 THR HA H 156 4.358 4.358 4.210 0.148 25439 16564 1 22 . 1 1 156 156 THR CA C 156 61.264 61.264 63.413 -2.148 25439 16565 1 22 . 1 1 156 156 THR CB C 156 69.999 69.999 69.203 0.796 25439 16566 1 22 . 1 1 156 156 THR H H 156 7.638 7.638 8.147 -0.509 25439 16567 1 23 . 1 1 0 0 GLY CA C 0 43.750 43.750 44.594 -0.845 25439 16568 1 23 . 1 1 1 1 SER N N 1 117.201 117.201 117.896 -0.695 25439 16569 1 23 . 1 1 1 1 SER HA H 1 4.809 4.809 4.679 0.130 25439 16570 1 23 . 1 1 1 1 SER CA C 1 56.525 56.525 56.186 0.339 25439 16571 1 23 . 1 1 1 1 SER CB C 1 63.385 63.385 64.300 -0.915 25439 16572 1 23 . 1 1 1 1 SER H H 1 8.381 8.381 8.078 0.303 25439 16573 1 23 . 1 1 2 2 PRO HA H 2 4.468 4.468 4.422 0.046 25439 16574 1 23 . 1 1 2 2 PRO CA C 2 63.292 63.292 62.978 0.314 25439 16575 1 23 . 1 1 2 2 PRO CB C 2 32.174 32.174 32.201 -0.027 25439 16576 1 23 . 1 1 3 3 ARG N N 3 121.649 121.649 126.404 -4.755 25439 16577 1 23 . 1 1 3 3 ARG HA H 3 4.324 4.324 4.562 -0.238 25439 16578 1 23 . 1 1 3 3 ARG CA C 3 56.226 56.226 55.922 0.304 25439 16579 1 23 . 1 1 3 3 ARG CB C 3 30.732 30.732 30.273 0.459 25439 16580 1 23 . 1 1 3 3 ARG H H 3 8.428 8.428 8.562 -0.134 25439 16581 1 23 . 1 1 4 4 ILE N N 4 122.500 122.500 121.723 0.777 25439 16582 1 23 . 1 1 4 4 ILE HA H 4 4.181 4.181 4.332 -0.151 25439 16583 1 23 . 1 1 4 4 ILE CA C 4 60.943 60.943 59.869 1.074 25439 16584 1 23 . 1 1 4 4 ILE CB C 4 38.751 38.751 39.288 -0.537 25439 16585 1 23 . 1 1 4 4 ILE H H 4 8.165 8.165 7.983 0.182 25439 16586 1 23 . 1 1 5 5 LYS N N 5 126.237 126.237 124.435 1.802 25439 16587 1 23 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.664 -0.262 25439 16588 1 23 . 1 1 5 5 LYS CA C 5 56.422 56.422 55.862 0.560 25439 16589 1 23 . 1 1 5 5 LYS CB C 5 33.130 33.130 34.062 -0.932 25439 16590 1 23 . 1 1 5 5 LYS H H 5 8.500 8.500 8.647 -0.147 25439 16591 1 23 . 1 1 6 6 THR N N 6 116.495 116.495 113.707 2.788 25439 16592 1 23 . 1 1 6 6 THR HA H 6 4.323 4.323 4.434 -0.111 25439 16593 1 23 . 1 1 6 6 THR CA C 6 61.918 61.918 61.741 0.177 25439 16594 1 23 . 1 1 6 6 THR CB C 6 69.963 69.963 69.268 0.695 25439 16595 1 23 . 1 1 6 6 THR H H 6 8.194 8.194 8.334 -0.140 25439 16596 1 23 . 1 1 7 7 ARG N N 7 124.128 124.128 123.344 0.784 25439 16597 1 23 . 1 1 7 7 ARG HA H 7 4.396 4.396 4.586 -0.190 25439 16598 1 23 . 1 1 7 7 ARG CA C 7 56.128 56.128 56.050 0.078 25439 16599 1 23 . 1 1 7 7 ARG CB C 7 30.953 30.953 29.954 0.999 25439 16600 1 23 . 1 1 7 7 ARG H H 7 8.458 8.458 8.426 0.032 25439 16601 1 23 . 1 1 8 8 ARG N N 8 123.384 123.384 123.124 0.260 25439 16602 1 23 . 1 1 8 8 ARG HA H 8 4.424 4.424 4.436 -0.012 25439 16603 1 23 . 1 1 8 8 ARG CA C 8 56.011 56.011 56.111 -0.100 25439 16604 1 23 . 1 1 8 8 ARG CB C 8 31.058 31.058 31.180 -0.122 25439 16605 1 23 . 1 1 8 8 ARG H H 8 8.526 8.526 8.451 0.075 25439 16606 1 23 . 1 1 9 9 SER N N 9 118.446 118.446 116.736 1.710 25439 16607 1 23 . 1 1 9 9 SER HA H 9 4.473 4.473 4.535 -0.062 25439 16608 1 23 . 1 1 9 9 SER CA C 9 58.568 58.568 58.047 0.521 25439 16609 1 23 . 1 1 9 9 SER CB C 9 63.986 63.986 63.197 0.789 25439 16610 1 23 . 1 1 9 9 SER H H 9 8.450 8.450 8.138 0.312 25439 16611 1 23 . 1 1 10 10 LYS N N 10 124.117 124.117 128.206 -4.089 25439 16612 1 23 . 1 1 10 10 LYS HA H 10 4.673 4.673 4.703 -0.030 25439 16613 1 23 . 1 1 10 10 LYS CA C 10 54.412 54.412 53.019 1.393 25439 16614 1 23 . 1 1 10 10 LYS CB C 10 32.693 32.693 33.048 -0.355 25439 16615 1 23 . 1 1 10 10 LYS H H 10 8.426 8.426 8.503 -0.077 25439 16616 1 23 . 1 1 11 11 PRO HA H 11 4.360 4.360 4.444 -0.084 25439 16617 1 23 . 1 1 11 11 PRO CA C 11 62.861 62.861 62.145 0.716 25439 16618 1 23 . 1 1 11 11 PRO CB C 11 32.106 32.106 32.577 -0.471 25439 16619 1 23 . 1 1 12 12 ALA N N 12 124.420 124.420 122.748 1.672 25439 16620 1 23 . 1 1 12 12 ALA HA H 12 2.889 2.889 3.069 -0.180 25439 16621 1 23 . 1 1 12 12 ALA CA C 12 49.735 49.735 50.255 -0.520 25439 16622 1 23 . 1 1 12 12 ALA CB C 12 18.066 18.066 16.931 1.135 25439 16623 1 23 . 1 1 12 12 ALA H H 12 7.890 7.890 7.792 0.098 25439 16624 1 23 . 1 1 13 13 PRO HA H 13 4.207 4.207 4.414 -0.207 25439 16625 1 23 . 1 1 13 13 PRO CA C 13 62.111 62.111 61.795 0.316 25439 16626 1 23 . 1 1 13 13 PRO CB C 13 32.582 32.582 32.478 0.104 25439 16627 1 23 . 1 1 14 14 ASP N N 14 119.535 119.535 120.680 -1.145 25439 16628 1 23 . 1 1 14 14 ASP HA H 14 4.379 4.379 4.299 0.080 25439 16629 1 23 . 1 1 14 14 ASP CA C 14 56.427 56.427 57.703 -1.276 25439 16630 1 23 . 1 1 14 14 ASP CB C 14 41.177 41.177 40.626 0.551 25439 16631 1 23 . 1 1 14 14 ASP H H 14 8.206 8.206 8.743 -0.537 25439 16632 1 23 . 1 1 15 15 GLY N N 15 113.273 113.273 107.916 5.357 25439 16633 1 23 . 1 1 15 15 GLY CA C 15 45.146 45.146 46.739 -1.593 25439 16634 1 23 . 1 1 15 15 GLY H H 15 8.723 8.723 8.513 0.210 25439 16635 1 23 . 1 1 16 16 PHE N N 16 123.113 123.113 122.665 0.448 25439 16636 1 23 . 1 1 16 16 PHE HA H 16 4.125 4.125 4.280 -0.155 25439 16637 1 23 . 1 1 16 16 PHE CA C 16 60.715 60.715 59.360 1.355 25439 16638 1 23 . 1 1 16 16 PHE CB C 16 39.639 39.639 39.060 0.579 25439 16639 1 23 . 1 1 16 16 PHE H H 16 8.127 8.127 8.339 -0.212 25439 16640 1 23 . 1 1 17 17 GLU N N 17 115.695 115.695 119.334 -3.639 25439 16641 1 23 . 1 1 17 17 GLU HA H 17 3.768 3.768 3.793 -0.025 25439 16642 1 23 . 1 1 17 17 GLU CA C 17 59.234 59.234 59.398 -0.164 25439 16643 1 23 . 1 1 17 17 GLU CB C 17 28.495 28.495 29.311 -0.816 25439 16644 1 23 . 1 1 17 17 GLU H H 17 9.088 9.088 8.167 0.921 25439 16645 1 23 . 1 1 18 18 LYS N N 18 115.887 115.887 117.609 -1.722 25439 16646 1 23 . 1 1 18 18 LYS HA H 18 4.165 4.165 4.072 0.093 25439 16647 1 23 . 1 1 18 18 LYS CA C 18 58.249 58.249 58.831 -0.582 25439 16648 1 23 . 1 1 18 18 LYS CB C 18 32.725 32.725 32.813 -0.088 25439 16649 1 23 . 1 1 18 18 LYS H H 18 7.285 7.285 7.774 -0.489 25439 16650 1 23 . 1 1 19 19 ILE N N 19 110.277 110.277 111.918 -1.641 25439 16651 1 23 . 1 1 19 19 ILE HA H 19 4.722 4.722 4.710 0.012 25439 16652 1 23 . 1 1 19 19 ILE CA C 19 61.093 61.093 59.762 1.331 25439 16653 1 23 . 1 1 19 19 ILE CB C 19 39.139 39.139 37.832 1.307 25439 16654 1 23 . 1 1 19 19 ILE H H 19 7.031 7.031 7.511 -0.480 25439 16655 1 23 . 1 1 20 20 LYS N N 20 124.540 124.540 122.995 1.545 25439 16656 1 23 . 1 1 20 20 LYS HA H 20 3.603 3.603 3.964 -0.361 25439 16657 1 23 . 1 1 20 20 LYS CA C 20 60.917 60.917 59.072 1.845 25439 16658 1 23 . 1 1 20 20 LYS CB C 20 30.210 30.210 30.232 -0.022 25439 16659 1 23 . 1 1 20 20 LYS H H 20 7.666 7.666 7.687 -0.021 25439 16660 1 23 . 1 1 21 21 PRO HA H 21 4.292 4.292 4.593 -0.301 25439 16661 1 23 . 1 1 21 21 PRO CA C 21 66.990 66.990 65.280 1.710 25439 16662 1 23 . 1 1 21 21 PRO CB C 21 30.779 30.779 31.483 -0.704 25439 16663 1 23 . 1 1 22 22 THR N N 22 114.917 114.917 115.361 -0.444 25439 16664 1 23 . 1 1 22 22 THR HA H 22 3.866 3.866 4.075 -0.209 25439 16665 1 23 . 1 1 22 22 THR CA C 22 66.575 66.575 66.659 -0.084 25439 16666 1 23 . 1 1 22 22 THR CB C 22 68.731 68.731 68.219 0.513 25439 16667 1 23 . 1 1 22 22 THR H H 22 7.331 7.331 8.440 -1.109 25439 16668 1 23 . 1 1 23 23 LEU N N 23 120.152 120.152 120.030 0.122 25439 16669 1 23 . 1 1 23 23 LEU HA H 23 4.397 4.397 4.178 0.219 25439 16670 1 23 . 1 1 23 23 LEU CA C 23 58.740 58.740 57.752 0.988 25439 16671 1 23 . 1 1 23 23 LEU CB C 23 40.489 40.489 41.646 -1.157 25439 16672 1 23 . 1 1 23 23 LEU H H 23 7.991 7.991 7.566 0.425 25439 16673 1 23 . 1 1 24 24 THR N N 24 119.365 119.365 114.726 4.639 25439 16674 1 23 . 1 1 24 24 THR HA H 24 4.095 4.095 3.960 0.135 25439 16675 1 23 . 1 1 24 24 THR CA C 24 66.834 66.834 65.960 0.874 25439 16676 1 23 . 1 1 24 24 THR CB C 24 68.614 68.614 67.812 0.802 25439 16677 1 23 . 1 1 24 24 THR H H 24 9.175 9.175 7.683 1.492 25439 16678 1 23 . 1 1 25 25 ASP N N 25 122.865 122.865 122.063 0.802 25439 16679 1 23 . 1 1 25 25 ASP HA H 25 4.483 4.483 4.341 0.142 25439 16680 1 23 . 1 1 25 25 ASP CA C 25 58.158 58.158 57.058 1.100 25439 16681 1 23 . 1 1 25 25 ASP CB C 25 40.329 40.329 40.392 -0.063 25439 16682 1 23 . 1 1 25 25 ASP H H 25 7.714 7.714 7.694 0.020 25439 16683 1 23 . 1 1 26 26 PHE N N 26 116.182 116.182 119.361 -3.179 25439 16684 1 23 . 1 1 26 26 PHE HA H 26 4.457 4.457 4.141 0.316 25439 16685 1 23 . 1 1 26 26 PHE CA C 26 62.531 62.531 61.720 0.811 25439 16686 1 23 . 1 1 26 26 PHE CB C 26 39.468 39.468 38.768 0.700 25439 16687 1 23 . 1 1 26 26 PHE H H 26 7.816 7.816 7.858 -0.042 25439 16688 1 23 . 1 1 27 27 GLU N N 27 120.107 120.107 118.546 1.561 25439 16689 1 23 . 1 1 27 27 GLU HA H 27 4.113 4.113 4.076 0.037 25439 16690 1 23 . 1 1 27 27 GLU CA C 27 59.852 59.852 59.445 0.407 25439 16691 1 23 . 1 1 27 27 GLU CB C 27 29.692 29.692 29.132 0.560 25439 16692 1 23 . 1 1 27 27 GLU H H 27 8.068 8.068 7.960 0.108 25439 16693 1 23 . 1 1 28 28 ILE N N 28 121.494 121.494 119.344 2.150 25439 16694 1 23 . 1 1 28 28 ILE HA H 28 3.718 3.718 3.888 -0.170 25439 16695 1 23 . 1 1 28 28 ILE CA C 28 65.002 65.002 64.315 0.687 25439 16696 1 23 . 1 1 28 28 ILE CB C 28 38.023 38.023 38.203 -0.180 25439 16697 1 23 . 1 1 28 28 ILE H H 28 8.531 8.531 7.757 0.774 25439 16698 1 23 . 1 1 29 29 GLN N N 29 118.941 118.941 120.390 -1.449 25439 16699 1 23 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.119 0.061 25439 16700 1 23 . 1 1 29 29 GLN CA C 29 59.507 59.507 58.900 0.607 25439 16701 1 23 . 1 1 29 29 GLN CB C 29 29.783 29.783 28.752 1.032 25439 16702 1 23 . 1 1 29 29 GLN H H 29 8.117 8.117 7.569 0.548 25439 16703 1 23 . 1 1 30 30 LEU N N 30 121.724 121.724 120.265 1.459 25439 16704 1 23 . 1 1 30 30 LEU HA H 30 4.032 4.032 4.173 -0.141 25439 16705 1 23 . 1 1 30 30 LEU CA C 30 58.333 58.333 57.779 0.554 25439 16706 1 23 . 1 1 30 30 LEU CB C 30 42.339 42.339 42.184 0.156 25439 16707 1 23 . 1 1 30 30 LEU H H 30 8.677 8.677 8.831 -0.154 25439 16708 1 23 . 1 1 31 31 ARG N N 31 120.629 120.629 118.943 1.686 25439 16709 1 23 . 1 1 31 31 ARG HA H 31 4.105 4.105 4.020 0.085 25439 16710 1 23 . 1 1 31 31 ARG CA C 31 59.340 59.340 59.325 0.015 25439 16711 1 23 . 1 1 31 31 ARG CB C 31 30.044 30.044 29.368 0.676 25439 16712 1 23 . 1 1 31 31 ARG H H 31 8.227 8.227 7.872 0.355 25439 16713 1 23 . 1 1 32 32 ASP N N 32 120.233 120.233 120.838 -0.605 25439 16714 1 23 . 1 1 32 32 ASP HA H 32 4.484 4.484 4.421 0.063 25439 16715 1 23 . 1 1 32 32 ASP CA C 32 57.199 57.199 57.280 -0.081 25439 16716 1 23 . 1 1 32 32 ASP CB C 32 40.202 40.202 40.531 -0.329 25439 16717 1 23 . 1 1 32 32 ASP H H 32 8.407 8.407 7.681 0.726 25439 16718 1 23 . 1 1 33 33 ALA N N 33 121.939 121.939 122.756 -0.817 25439 16719 1 23 . 1 1 33 33 ALA HA H 33 4.321 4.321 3.882 0.439 25439 16720 1 23 . 1 1 33 33 ALA CA C 33 54.207 54.207 55.251 -1.044 25439 16721 1 23 . 1 1 33 33 ALA CB C 33 18.738 18.738 18.360 0.378 25439 16722 1 23 . 1 1 33 33 ALA H H 33 8.057 8.057 7.559 0.498 25439 16723 1 23 . 1 1 34 34 GLN N N 34 114.736 114.736 117.643 -2.907 25439 16724 1 23 . 1 1 34 34 GLN HA H 34 4.248 4.248 4.018 0.230 25439 16725 1 23 . 1 1 34 34 GLN CA C 34 56.567 56.567 59.053 -2.486 25439 16726 1 23 . 1 1 34 34 GLN CB C 34 29.743 29.743 28.544 1.199 25439 16727 1 23 . 1 1 34 34 GLN H H 34 7.746 7.746 8.189 -0.443 25439 16728 1 23 . 1 1 35 35 LYS N N 35 120.534 120.534 118.094 2.440 25439 16729 1 23 . 1 1 35 35 LYS HA H 35 4.232 4.232 4.207 0.025 25439 16730 1 23 . 1 1 35 35 LYS CA C 35 57.427 57.427 58.221 -0.794 25439 16731 1 23 . 1 1 35 35 LYS CB C 35 32.887 32.887 32.146 0.741 25439 16732 1 23 . 1 1 35 35 LYS H H 35 7.570 7.570 7.716 -0.146 25439 16733 1 23 . 1 1 36 36 ASP N N 36 120.943 120.943 120.640 0.303 25439 16734 1 23 . 1 1 36 36 ASP HA H 36 4.595 4.595 4.391 0.204 25439 16735 1 23 . 1 1 36 36 ASP CA C 36 54.983 54.983 56.983 -2.000 25439 16736 1 23 . 1 1 36 36 ASP CB C 36 41.129 41.129 41.011 0.118 25439 16737 1 23 . 1 1 36 36 ASP H H 36 8.375 8.375 8.269 0.106 25439 16738 1 23 . 1 1 37 37 LYS N N 37 122.598 122.598 118.360 4.238 25439 16739 1 23 . 1 1 37 37 LYS HA H 37 4.365 4.365 4.054 0.311 25439 16740 1 23 . 1 1 37 37 LYS CA C 37 56.725 56.725 58.362 -1.637 25439 16741 1 23 . 1 1 37 37 LYS CB C 37 32.823 32.823 32.506 0.317 25439 16742 1 23 . 1 1 37 37 LYS H H 37 8.446 8.446 7.957 0.489 25439 16743 1 23 . 1 1 38 38 SER N N 38 115.849 115.849 113.157 2.692 25439 16744 1 23 . 1 1 38 38 SER HA H 38 4.423 4.423 4.585 -0.162 25439 16745 1 23 . 1 1 38 38 SER CA C 38 59.193 59.193 57.467 1.726 25439 16746 1 23 . 1 1 38 38 SER CB C 38 63.744 63.744 62.862 0.882 25439 16747 1 23 . 1 1 38 38 SER H H 38 8.392 8.392 7.584 0.808 25439 16748 1 23 . 1 1 39 39 SER N N 39 117.258 117.258 116.911 0.347 25439 16749 1 23 . 1 1 39 39 SER HA H 39 4.445 4.445 4.591 -0.146 25439 16750 1 23 . 1 1 39 39 SER CA C 39 58.933 58.933 59.408 -0.475 25439 16751 1 23 . 1 1 39 39 SER CB C 39 63.711 63.711 63.800 -0.089 25439 16752 1 23 . 1 1 39 39 SER H H 39 8.283 8.283 7.936 0.347 25439 16753 1 23 . 1 1 40 40 LYS N N 40 122.427 122.427 121.037 1.390 25439 16754 1 23 . 1 1 40 40 LYS HA H 40 4.321 4.321 4.398 -0.077 25439 16755 1 23 . 1 1 40 40 LYS CA C 40 56.847 56.847 56.422 0.425 25439 16756 1 23 . 1 1 40 40 LYS CB C 40 32.764 32.764 33.782 -1.018 25439 16757 1 23 . 1 1 40 40 LYS H H 40 8.263 8.263 7.791 0.472 25439 16758 1 23 . 1 1 41 41 LEU N N 41 121.281 121.281 119.401 1.880 25439 16759 1 23 . 1 1 41 41 LEU HA H 41 4.308 4.308 3.977 0.331 25439 16760 1 23 . 1 1 41 41 LEU CA C 41 55.335 55.335 55.653 -0.318 25439 16761 1 23 . 1 1 41 41 LEU CB C 41 42.212 42.212 39.733 2.479 25439 16762 1 23 . 1 1 41 41 LEU H H 41 8.068 8.068 8.406 -0.338 25439 16763 1 23 . 1 1 42 42 ALA N N 42 123.964 123.964 122.641 1.323 25439 16764 1 23 . 1 1 42 42 ALA HA H 42 4.274 4.274 4.459 -0.185 25439 16765 1 23 . 1 1 42 42 ALA CA C 42 52.851 52.851 52.638 0.213 25439 16766 1 23 . 1 1 42 42 ALA CB C 42 19.135 19.135 20.257 -1.122 25439 16767 1 23 . 1 1 42 42 ALA H H 42 8.111 8.111 8.386 -0.275 25439 16768 1 23 . 1 1 43 43 ALA N N 43 122.146 122.146 121.977 0.169 25439 16769 1 23 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.608 -0.311 25439 16770 1 23 . 1 1 43 43 ALA CA C 43 52.727 52.727 51.512 1.215 25439 16771 1 23 . 1 1 43 43 ALA CB C 43 19.318 19.318 20.224 -0.906 25439 16772 1 23 . 1 1 43 43 ALA H H 43 8.101 8.101 7.893 0.208 25439 16773 1 23 . 1 1 44 44 LYS N N 44 119.454 119.454 120.390 -0.936 25439 16774 1 23 . 1 1 44 44 LYS HA H 44 4.349 4.349 3.938 0.411 25439 16775 1 23 . 1 1 44 44 LYS CA C 44 56.267 56.267 56.583 -0.316 25439 16776 1 23 . 1 1 44 44 LYS CB C 44 32.825 32.825 31.433 1.392 25439 16777 1 23 . 1 1 44 44 LYS H H 44 8.198 8.198 8.779 -0.581 25439 16778 1 23 . 1 1 45 45 SER N N 45 116.660 116.660 112.748 3.912 25439 16779 1 23 . 1 1 45 45 SER HA H 45 4.368 4.368 4.512 -0.144 25439 16780 1 23 . 1 1 45 45 SER CA C 45 58.477 58.477 59.906 -1.429 25439 16781 1 23 . 1 1 45 45 SER CB C 45 64.063 64.063 64.451 -0.388 25439 16782 1 23 . 1 1 45 45 SER H H 45 8.251 8.251 8.361 -0.110 25439 16783 1 23 . 1 1 46 46 ASN N N 46 120.516 120.516 119.427 1.089 25439 16784 1 23 . 1 1 46 46 ASN HA H 46 4.361 4.361 4.121 0.240 25439 16785 1 23 . 1 1 46 46 ASN CA C 46 54.657 54.657 56.497 -1.840 25439 16786 1 23 . 1 1 46 46 ASN CB C 46 37.649 37.649 37.911 -0.263 25439 16787 1 23 . 1 1 46 46 ASN H H 46 8.498 8.498 8.491 0.007 25439 16788 1 23 . 1 1 47 47 GLU N N 47 117.964 117.964 117.761 0.203 25439 16789 1 23 . 1 1 47 47 GLU HA H 47 3.350 3.350 3.205 0.145 25439 16790 1 23 . 1 1 47 47 GLU CA C 47 59.213 59.213 58.951 0.262 25439 16791 1 23 . 1 1 47 47 GLU CB C 47 28.998 28.998 29.020 -0.023 25439 16792 1 23 . 1 1 47 47 GLU H H 47 8.016 8.016 8.244 -0.228 25439 16793 1 23 . 1 1 48 48 GLN N N 48 119.468 119.468 119.343 0.125 25439 16794 1 23 . 1 1 48 48 GLN HA H 48 4.250 4.250 4.068 0.182 25439 16795 1 23 . 1 1 48 48 GLN CA C 48 58.529 58.529 58.221 0.308 25439 16796 1 23 . 1 1 48 48 GLN CB C 48 28.902 28.902 27.923 0.979 25439 16797 1 23 . 1 1 48 48 GLN H H 48 7.892 7.892 7.317 0.575 25439 16798 1 23 . 1 1 49 49 LEU N N 49 120.145 120.145 120.111 0.034 25439 16799 1 23 . 1 1 49 49 LEU HA H 49 4.232 4.232 3.935 0.297 25439 16800 1 23 . 1 1 49 49 LEU CA C 49 57.479 57.479 57.960 -0.481 25439 16801 1 23 . 1 1 49 49 LEU CB C 49 41.391 41.391 41.876 -0.485 25439 16802 1 23 . 1 1 49 49 LEU H H 49 7.699 7.699 7.545 0.154 25439 16803 1 23 . 1 1 50 50 TRP N N 50 119.596 119.596 117.705 1.891 25439 16804 1 23 . 1 1 50 50 TRP HA H 50 4.520 4.520 4.500 0.020 25439 16805 1 23 . 1 1 50 50 TRP CA C 50 58.353 58.353 57.640 0.713 25439 16806 1 23 . 1 1 50 50 TRP CB C 50 28.880 28.880 28.012 0.868 25439 16807 1 23 . 1 1 50 50 TRP H H 50 8.385 8.385 7.570 0.815 25439 16808 1 23 . 1 1 51 51 GLU N N 51 119.362 119.362 119.345 0.017 25439 16809 1 23 . 1 1 51 51 GLU HA H 51 4.145 4.145 4.133 0.012 25439 16810 1 23 . 1 1 51 51 GLU CA C 51 60.035 60.035 59.811 0.224 25439 16811 1 23 . 1 1 51 51 GLU CB C 51 29.675 29.675 29.026 0.649 25439 16812 1 23 . 1 1 51 51 GLU H H 51 8.223 8.223 7.895 0.328 25439 16813 1 23 . 1 1 52 52 ILE N N 52 119.018 119.018 119.770 -0.752 25439 16814 1 23 . 1 1 52 52 ILE HA H 52 3.673 3.673 3.722 -0.049 25439 16815 1 23 . 1 1 52 52 ILE CA C 52 65.511 65.511 65.412 0.099 25439 16816 1 23 . 1 1 52 52 ILE CB C 52 38.532 38.532 38.165 0.367 25439 16817 1 23 . 1 1 52 52 ILE H H 52 7.801 7.801 7.546 0.255 25439 16818 1 23 . 1 1 53 53 MET N N 53 118.133 118.133 117.007 1.126 25439 16819 1 23 . 1 1 53 53 MET HA H 53 4.452 4.452 4.090 0.362 25439 16820 1 23 . 1 1 53 53 MET CA C 53 58.216 58.216 58.684 -0.468 25439 16821 1 23 . 1 1 53 53 MET CB C 53 31.838 31.838 31.959 -0.121 25439 16822 1 23 . 1 1 53 53 MET H H 53 8.411 8.411 7.509 0.902 25439 16823 1 23 . 1 1 54 54 GLN N N 54 120.855 120.855 118.695 2.160 25439 16824 1 23 . 1 1 54 54 GLN HA H 54 4.333 4.333 4.057 0.276 25439 16825 1 23 . 1 1 54 54 GLN CA C 54 59.004 59.004 58.695 0.309 25439 16826 1 23 . 1 1 54 54 GLN CB C 54 27.824 27.824 28.914 -1.090 25439 16827 1 23 . 1 1 54 54 GLN H H 54 8.860 8.860 8.735 0.125 25439 16828 1 23 . 1 1 55 55 LEU N N 55 122.788 122.788 119.925 2.863 25439 16829 1 23 . 1 1 55 55 LEU HA H 55 4.302 4.302 4.173 0.129 25439 16830 1 23 . 1 1 55 55 LEU CA C 55 58.685 58.685 58.326 0.359 25439 16831 1 23 . 1 1 55 55 LEU CB C 55 42.695 42.695 41.914 0.781 25439 16832 1 23 . 1 1 55 55 LEU H H 55 8.298 8.298 8.167 0.131 25439 16833 1 23 . 1 1 56 56 HIS N N 56 118.426 118.426 117.702 0.724 25439 16834 1 23 . 1 1 56 56 HIS HA H 56 4.317 4.317 4.113 0.204 25439 16835 1 23 . 1 1 56 56 HIS CA C 56 60.732 60.732 60.307 0.425 25439 16836 1 23 . 1 1 56 56 HIS CB C 56 30.530 30.530 29.677 0.853 25439 16837 1 23 . 1 1 56 56 HIS H H 56 8.416 8.416 7.907 0.509 25439 16838 1 23 . 1 1 57 57 HIS N N 57 121.197 121.197 119.083 2.114 25439 16839 1 23 . 1 1 57 57 HIS HA H 57 4.318 4.318 4.569 -0.251 25439 16840 1 23 . 1 1 57 57 HIS CA C 57 60.739 60.739 59.104 1.635 25439 16841 1 23 . 1 1 57 57 HIS CB C 57 28.726 28.726 30.194 -1.468 25439 16842 1 23 . 1 1 57 57 HIS H H 57 8.608 8.608 8.220 0.388 25439 16843 1 23 . 1 1 58 58 GLN N N 58 118.739 118.739 118.770 -0.031 25439 16844 1 23 . 1 1 58 58 GLN HA H 58 4.202 4.202 4.173 0.029 25439 16845 1 23 . 1 1 58 58 GLN CA C 58 59.507 59.507 59.550 -0.043 25439 16846 1 23 . 1 1 58 58 GLN CB C 58 29.111 29.111 28.421 0.690 25439 16847 1 23 . 1 1 58 58 GLN H H 58 9.206 9.206 8.431 0.775 25439 16848 1 23 . 1 1 59 59 ARG N N 59 122.498 122.498 119.548 2.950 25439 16849 1 23 . 1 1 59 59 ARG HA H 59 3.437 3.437 3.849 -0.412 25439 16850 1 23 . 1 1 59 59 ARG CA C 59 60.361 60.361 58.552 1.809 25439 16851 1 23 . 1 1 59 59 ARG H H 59 8.623 8.623 8.101 0.522 25439 16852 1 23 . 1 1 60 60 SER N N 60 114.930 114.930 115.206 -0.276 25439 16853 1 23 . 1 1 60 60 SER HA H 60 4.515 4.515 4.254 0.261 25439 16854 1 23 . 1 1 60 60 SER CA C 60 64.832 64.832 62.068 2.764 25439 16855 1 23 . 1 1 60 60 SER CB C 60 63.583 63.583 62.914 0.669 25439 16856 1 23 . 1 1 60 60 SER H H 60 7.993 7.993 8.504 -0.511 25439 16857 1 23 . 1 1 61 61 ARG N N 61 124.417 124.417 122.682 1.735 25439 16858 1 23 . 1 1 61 61 ARG HA H 61 4.204 4.204 4.164 0.040 25439 16859 1 23 . 1 1 61 61 ARG CA C 61 58.852 58.852 59.631 -0.779 25439 16860 1 23 . 1 1 61 61 ARG CB C 61 29.077 29.077 30.146 -1.069 25439 16861 1 23 . 1 1 61 61 ARG H H 61 9.569 9.569 8.500 1.069 25439 16862 1 23 . 1 1 62 62 TYR N N 62 124.484 124.484 120.686 3.798 25439 16863 1 23 . 1 1 62 62 TYR HA H 62 4.676 4.676 4.271 0.405 25439 16864 1 23 . 1 1 62 62 TYR CA C 62 61.006 61.006 62.022 -1.016 25439 16865 1 23 . 1 1 62 62 TYR CB C 62 38.392 38.392 38.717 -0.325 25439 16866 1 23 . 1 1 62 62 TYR H H 62 8.622 8.622 8.284 0.338 25439 16867 1 23 . 1 1 63 63 ILE N N 63 119.789 119.789 119.106 0.683 25439 16868 1 23 . 1 1 63 63 ILE HA H 63 3.492 3.492 3.830 -0.338 25439 16869 1 23 . 1 1 63 63 ILE CA C 63 65.693 65.693 65.511 0.182 25439 16870 1 23 . 1 1 63 63 ILE CB C 63 38.023 38.023 38.376 -0.353 25439 16871 1 23 . 1 1 63 63 ILE H H 63 7.588 7.588 8.204 -0.616 25439 16872 1 23 . 1 1 64 64 TYR N N 64 120.485 120.485 120.922 -0.437 25439 16873 1 23 . 1 1 64 64 TYR HA H 64 4.577 4.577 4.445 0.132 25439 16874 1 23 . 1 1 64 64 TYR CA C 64 61.759 61.759 61.682 0.077 25439 16875 1 23 . 1 1 64 64 TYR CB C 64 39.772 39.772 38.329 1.443 25439 16876 1 23 . 1 1 64 64 TYR H H 64 9.166 9.166 9.195 -0.029 25439 16877 1 23 . 1 1 65 65 THR N N 65 117.072 117.072 116.416 0.656 25439 16878 1 23 . 1 1 65 65 THR HA H 65 3.562 3.562 4.083 -0.521 25439 16879 1 23 . 1 1 65 65 THR CA C 65 67.016 67.016 66.999 0.018 25439 16880 1 23 . 1 1 65 65 THR CB C 65 68.711 68.711 69.200 -0.489 25439 16881 1 23 . 1 1 65 65 THR H H 65 8.987 8.987 8.137 0.850 25439 16882 1 23 . 1 1 66 66 LEU N N 66 122.107 122.107 121.801 0.306 25439 16883 1 23 . 1 1 66 66 LEU HA H 66 3.782 3.782 4.296 -0.514 25439 16884 1 23 . 1 1 66 66 LEU CA C 66 58.476 58.476 58.075 0.401 25439 16885 1 23 . 1 1 66 66 LEU CB C 66 43.183 43.183 41.058 2.125 25439 16886 1 23 . 1 1 66 66 LEU H H 66 8.286 8.286 7.650 0.636 25439 16887 1 23 . 1 1 67 67 TYR N N 67 115.264 115.264 119.156 -3.892 25439 16888 1 23 . 1 1 67 67 TYR HA H 67 4.344 4.344 4.120 0.224 25439 16889 1 23 . 1 1 67 67 TYR CA C 67 60.830 60.830 61.610 -0.780 25439 16890 1 23 . 1 1 67 67 TYR CB C 67 40.376 40.376 39.365 1.011 25439 16891 1 23 . 1 1 67 67 TYR H H 67 7.983 7.983 8.290 -0.307 25439 16892 1 23 . 1 1 68 68 TYR N N 68 113.945 113.945 115.318 -1.373 25439 16893 1 23 . 1 1 68 68 TYR HA H 68 3.699 3.699 4.258 -0.559 25439 16894 1 23 . 1 1 68 68 TYR CA C 68 62.030 62.030 60.234 1.796 25439 16895 1 23 . 1 1 68 68 TYR CB C 68 38.046 38.046 38.623 -0.577 25439 16896 1 23 . 1 1 68 68 TYR H H 68 8.297 8.297 7.526 0.771 25439 16897 1 23 . 1 1 69 69 LYS N N 69 114.346 114.346 116.983 -2.637 25439 16898 1 23 . 1 1 69 69 LYS HA H 69 4.564 4.564 4.362 0.202 25439 16899 1 23 . 1 1 69 69 LYS CA C 69 56.821 56.821 56.519 0.302 25439 16900 1 23 . 1 1 69 69 LYS CB C 69 31.980 31.980 33.403 -1.423 25439 16901 1 23 . 1 1 69 69 LYS H H 69 7.084 7.084 7.442 -0.358 25439 16902 1 23 . 1 1 70 70 ARG N N 70 114.676 114.676 119.708 -5.032 25439 16903 1 23 . 1 1 70 70 ARG HA H 70 4.251 4.251 4.099 0.152 25439 16904 1 23 . 1 1 70 70 ARG CA C 70 56.314 56.314 57.419 -1.105 25439 16905 1 23 . 1 1 70 70 ARG CB C 70 31.128 31.128 30.590 0.538 25439 16906 1 23 . 1 1 70 70 ARG H H 70 8.178 8.178 7.932 0.246 25439 16907 1 23 . 1 1 71 71 LYS N N 71 115.371 115.371 115.363 0.008 25439 16908 1 23 . 1 1 71 71 LYS HA H 71 4.036 4.036 3.767 0.269 25439 16909 1 23 . 1 1 71 71 LYS CA C 71 57.121 57.121 57.149 -0.028 25439 16910 1 23 . 1 1 71 71 LYS CB C 71 28.897 28.897 30.543 -1.646 25439 16911 1 23 . 1 1 71 71 LYS H H 71 6.843 6.843 7.851 -1.008 25439 16912 1 23 . 1 1 72 72 ALA N N 72 117.701 117.701 120.637 -2.936 25439 16913 1 23 . 1 1 72 72 ALA HA H 72 4.395 4.395 4.442 -0.047 25439 16914 1 23 . 1 1 72 72 ALA CA C 72 52.597 52.597 51.918 0.679 25439 16915 1 23 . 1 1 72 72 ALA CB C 72 21.560 21.560 19.866 1.694 25439 16916 1 23 . 1 1 72 72 ALA H H 72 8.560 8.560 7.617 0.943 25439 16917 1 23 . 1 1 73 73 ILE N N 73 107.605 107.605 117.277 -9.672 25439 16918 1 23 . 1 1 73 73 ILE CB C 73 42.724 42.724 41.254 1.470 25439 16919 1 23 . 1 1 73 73 ILE H H 73 7.074 7.074 7.409 -0.335 25439 16920 1 23 . 1 1 74 74 SER N N 74 118.425 118.425 117.836 0.589 25439 16921 1 23 . 1 1 74 74 SER HA H 74 4.484 4.484 4.907 -0.423 25439 16922 1 23 . 1 1 74 74 SER CA C 74 57.082 57.082 57.360 -0.278 25439 16923 1 23 . 1 1 74 74 SER CB C 74 65.396 65.396 65.175 0.221 25439 16924 1 23 . 1 1 74 74 SER H H 74 8.797 8.797 8.430 0.367 25439 16925 1 23 . 1 1 75 75 LYS N N 75 121.891 121.891 124.919 -3.028 25439 16926 1 23 . 1 1 75 75 LYS HA H 75 3.851 3.851 4.208 -0.357 25439 16927 1 23 . 1 1 75 75 LYS CA C 75 59.624 59.624 60.200 -0.576 25439 16928 1 23 . 1 1 75 75 LYS CB C 75 32.368 32.368 32.577 -0.208 25439 16929 1 23 . 1 1 75 75 LYS H H 75 9.024 9.024 9.129 -0.105 25439 16930 1 23 . 1 1 76 76 ASP N N 76 115.908 115.908 118.057 -2.149 25439 16931 1 23 . 1 1 76 76 ASP HA H 76 4.423 4.423 4.402 0.021 25439 16932 1 23 . 1 1 76 76 ASP CA C 76 57.362 57.362 58.133 -0.771 25439 16933 1 23 . 1 1 76 76 ASP CB C 76 40.391 40.391 40.318 0.073 25439 16934 1 23 . 1 1 76 76 ASP H H 76 8.161 8.161 8.487 -0.326 25439 16935 1 23 . 1 1 77 77 LEU N N 77 121.705 121.705 121.171 0.534 25439 16936 1 23 . 1 1 77 77 LEU HA H 77 4.180 4.180 4.122 0.058 25439 16937 1 23 . 1 1 77 77 LEU CA C 77 57.818 57.818 57.850 -0.032 25439 16938 1 23 . 1 1 77 77 LEU H H 77 8.345 8.345 7.686 0.659 25439 16939 1 23 . 1 1 78 78 TYR N N 78 121.511 121.511 119.912 1.599 25439 16940 1 23 . 1 1 78 78 TYR HA H 78 3.789 3.789 3.993 -0.204 25439 16941 1 23 . 1 1 78 78 TYR CA C 78 62.857 62.857 60.695 2.162 25439 16942 1 23 . 1 1 78 78 TYR CB C 78 38.369 38.369 37.748 0.621 25439 16943 1 23 . 1 1 78 78 TYR H H 78 8.598 8.598 8.692 -0.094 25439 16944 1 23 . 1 1 79 79 ASP N N 79 117.189 117.189 119.835 -2.646 25439 16945 1 23 . 1 1 79 79 ASP HA H 79 4.066 4.066 4.051 0.015 25439 16946 1 23 . 1 1 79 79 ASP CA C 79 57.219 57.219 57.067 0.152 25439 16947 1 23 . 1 1 79 79 ASP CB C 79 40.003 40.003 40.560 -0.557 25439 16948 1 23 . 1 1 79 79 ASP H H 79 9.106 9.106 8.582 0.524 25439 16949 1 23 . 1 1 80 80 TRP N N 80 123.400 123.400 121.964 1.436 25439 16950 1 23 . 1 1 80 80 TRP HA H 80 4.160 4.160 4.121 0.039 25439 16951 1 23 . 1 1 80 80 TRP CA C 80 62.368 62.368 61.896 0.472 25439 16952 1 23 . 1 1 80 80 TRP CB C 80 29.969 29.969 29.338 0.631 25439 16953 1 23 . 1 1 80 80 TRP H H 80 7.931 7.931 8.407 -0.476 25439 16954 1 23 . 1 1 81 81 LEU N N 81 119.674 119.674 118.805 0.869 25439 16955 1 23 . 1 1 81 81 LEU HA H 81 3.971 3.971 2.622 1.349 25439 16956 1 23 . 1 1 81 81 LEU CA C 81 58.294 58.294 57.675 0.619 25439 16957 1 23 . 1 1 81 81 LEU CB C 81 41.818 41.818 41.544 0.274 25439 16958 1 23 . 1 1 81 81 LEU H H 81 8.814 8.814 8.104 0.710 25439 16959 1 23 . 1 1 82 82 ILE N N 82 118.746 118.746 119.028 -0.282 25439 16960 1 23 . 1 1 82 82 ILE HA H 82 3.861 3.861 3.773 0.088 25439 16961 1 23 . 1 1 82 82 ILE CA C 82 62.734 62.734 62.786 -0.052 25439 16962 1 23 . 1 1 82 82 ILE CB C 82 36.236 36.236 36.439 -0.203 25439 16963 1 23 . 1 1 82 82 ILE H H 82 7.886 7.886 7.609 0.277 25439 16964 1 23 . 1 1 83 83 LYS N N 83 124.819 124.819 118.773 6.046 25439 16965 1 23 . 1 1 83 83 LYS HA H 83 3.911 3.911 4.159 -0.248 25439 16966 1 23 . 1 1 83 83 LYS CA C 83 59.643 59.643 57.339 2.304 25439 16967 1 23 . 1 1 83 83 LYS CB C 83 32.027 32.027 32.495 -0.468 25439 16968 1 23 . 1 1 83 83 LYS H H 83 8.224 8.224 7.746 0.478 25439 16969 1 23 . 1 1 84 84 GLU N N 84 115.404 115.404 118.182 -2.778 25439 16970 1 23 . 1 1 84 84 GLU HA H 84 3.841 3.841 4.314 -0.473 25439 16971 1 23 . 1 1 84 84 GLU CA C 84 55.582 55.582 54.879 0.703 25439 16972 1 23 . 1 1 84 84 GLU CB C 84 29.459 29.459 29.232 0.227 25439 16973 1 23 . 1 1 84 84 GLU H H 84 8.138 8.138 7.227 0.911 25439 16974 1 23 . 1 1 85 85 LYS N N 85 111.563 111.563 118.140 -6.577 25439 16975 1 23 . 1 1 85 85 LYS HA H 85 3.820 3.820 4.002 -0.182 25439 16976 1 23 . 1 1 85 85 LYS CA C 85 57.890 57.890 57.112 0.778 25439 16977 1 23 . 1 1 85 85 LYS CB C 85 28.005 28.005 30.372 -2.367 25439 16978 1 23 . 1 1 85 85 LYS H H 85 7.719 7.719 7.895 -0.176 25439 16979 1 23 . 1 1 86 86 TYR N N 86 116.916 116.916 119.418 -2.502 25439 16980 1 23 . 1 1 86 86 TYR HA H 86 4.137 4.137 4.390 -0.253 25439 16981 1 23 . 1 1 86 86 TYR CA C 86 61.228 61.228 58.772 2.456 25439 16982 1 23 . 1 1 86 86 TYR CB C 86 39.535 39.535 40.462 -0.927 25439 16983 1 23 . 1 1 86 86 TYR H H 86 8.521 8.521 7.957 0.564 25439 16984 1 23 . 1 1 87 87 ALA N N 87 113.715 113.715 119.478 -5.763 25439 16985 1 23 . 1 1 87 87 ALA HA H 87 4.738 4.738 4.309 0.429 25439 16986 1 23 . 1 1 87 87 ALA CA C 87 49.121 49.121 50.585 -1.464 25439 16987 1 23 . 1 1 87 87 ALA CB C 87 23.295 23.295 22.111 1.184 25439 16988 1 23 . 1 1 87 87 ALA H H 87 6.959 6.959 7.586 -0.627 25439 16989 1 23 . 1 1 88 88 ASP N N 88 119.344 119.344 120.679 -1.335 25439 16990 1 23 . 1 1 88 88 ASP HA H 88 4.544 4.544 4.927 -0.383 25439 16991 1 23 . 1 1 88 88 ASP CA C 88 52.714 52.714 52.740 -0.026 25439 16992 1 23 . 1 1 88 88 ASP CB C 88 41.845 41.845 42.534 -0.689 25439 16993 1 23 . 1 1 88 88 ASP H H 88 7.870 7.870 8.589 -0.719 25439 16994 1 23 . 1 1 89 89 LYS N N 89 125.312 125.312 126.394 -1.082 25439 16995 1 23 . 1 1 89 89 LYS HA H 89 3.834 3.834 4.061 -0.227 25439 16996 1 23 . 1 1 89 89 LYS CA C 89 59.409 59.409 59.558 -0.149 25439 16997 1 23 . 1 1 89 89 LYS CB C 89 32.848 32.848 32.369 0.479 25439 16998 1 23 . 1 1 89 89 LYS H H 89 8.467 8.467 8.746 -0.279 25439 16999 1 23 . 1 1 90 90 LEU N N 90 119.899 119.899 120.983 -1.084 25439 17000 1 23 . 1 1 90 90 LEU HA H 90 4.023 4.023 4.009 0.014 25439 17001 1 23 . 1 1 90 90 LEU CA C 90 57.049 57.049 57.879 -0.830 25439 17002 1 23 . 1 1 90 90 LEU CB C 90 41.099 41.099 41.626 -0.527 25439 17003 1 23 . 1 1 90 90 LEU H H 90 8.076 8.076 7.882 0.194 25439 17004 1 23 . 1 1 91 91 LEU N N 91 123.148 123.148 120.281 2.867 25439 17005 1 23 . 1 1 91 91 LEU HA H 91 3.498 3.498 3.702 -0.204 25439 17006 1 23 . 1 1 91 91 LEU CA C 91 56.971 56.971 57.686 -0.715 25439 17007 1 23 . 1 1 91 91 LEU CB C 91 41.823 41.823 41.618 0.205 25439 17008 1 23 . 1 1 91 91 LEU H H 91 7.120 7.120 8.473 -1.353 25439 17009 1 23 . 1 1 92 92 ILE N N 92 116.780 116.780 118.914 -2.134 25439 17010 1 23 . 1 1 92 92 ILE HA H 92 3.265 3.265 3.603 -0.338 25439 17011 1 23 . 1 1 92 92 ILE CA C 92 65.178 65.178 65.327 -0.149 25439 17012 1 23 . 1 1 92 92 ILE CB C 92 38.209 38.209 37.568 0.641 25439 17013 1 23 . 1 1 92 92 ILE H H 92 7.384 7.384 7.796 -0.412 25439 17014 1 23 . 1 1 93 93 ALA N N 93 117.061 117.061 122.254 -5.193 25439 17015 1 23 . 1 1 93 93 ALA HA H 93 3.930 3.930 3.961 -0.031 25439 17016 1 23 . 1 1 93 93 ALA CA C 93 54.839 54.839 55.576 -0.737 25439 17017 1 23 . 1 1 93 93 ALA CB C 93 18.125 18.125 18.103 0.022 25439 17018 1 23 . 1 1 93 93 ALA H H 93 7.437 7.437 8.676 -1.239 25439 17019 1 23 . 1 1 94 94 LYS N N 94 116.036 116.036 118.893 -2.857 25439 17020 1 23 . 1 1 94 94 LYS HA H 94 3.803 3.803 3.638 0.165 25439 17021 1 23 . 1 1 94 94 LYS CA C 94 56.945 56.945 58.554 -1.609 25439 17022 1 23 . 1 1 94 94 LYS CB C 94 31.047 31.047 31.595 -0.548 25439 17023 1 23 . 1 1 94 94 LYS H H 94 7.012 7.012 7.461 -0.449 25439 17024 1 23 . 1 1 95 95 TRP N N 95 118.700 118.700 116.935 1.765 25439 17025 1 23 . 1 1 95 95 TRP HA H 95 4.814 4.814 4.467 0.347 25439 17026 1 23 . 1 1 95 95 TRP CA C 95 57.136 57.136 59.629 -2.493 25439 17027 1 23 . 1 1 95 95 TRP CB C 95 28.171 28.171 28.857 -0.686 25439 17028 1 23 . 1 1 95 95 TRP H H 95 7.611 7.611 7.503 0.108 25439 17029 1 23 . 1 1 96 96 ARG N N 96 113.031 113.031 115.973 -2.942 25439 17030 1 23 . 1 1 96 96 ARG HA H 96 4.233 4.233 4.312 -0.079 25439 17031 1 23 . 1 1 96 96 ARG CA C 96 56.234 56.234 57.776 -1.542 25439 17032 1 23 . 1 1 96 96 ARG CB C 96 30.245 30.245 30.866 -0.621 25439 17033 1 23 . 1 1 96 96 ARG H H 96 7.066 7.066 7.508 -0.442 25439 17034 1 23 . 1 1 97 97 LYS N N 97 123.252 123.252 119.819 3.433 25439 17035 1 23 . 1 1 97 97 LYS HA H 97 4.634 4.634 4.250 0.384 25439 17036 1 23 . 1 1 97 97 LYS CA C 97 54.937 54.937 57.213 -2.276 25439 17037 1 23 . 1 1 97 97 LYS CB C 97 34.166 34.166 32.774 1.392 25439 17038 1 23 . 1 1 97 97 LYS H H 97 8.467 8.467 8.108 0.359 25439 17039 1 23 . 1 1 98 98 THR N N 98 119.993 119.993 114.865 5.128 25439 17040 1 23 . 1 1 98 98 THR HA H 98 4.224 4.224 4.454 -0.230 25439 17041 1 23 . 1 1 98 98 THR CA C 98 64.670 64.670 62.397 2.273 25439 17042 1 23 . 1 1 98 98 THR CB C 98 69.200 69.200 69.311 -0.111 25439 17043 1 23 . 1 1 98 98 THR H H 98 8.329 8.329 8.294 0.035 25439 17044 1 23 . 1 1 99 99 GLY N N 99 116.645 116.645 115.065 1.580 25439 17045 1 23 . 1 1 99 99 GLY CA C 99 45.047 45.047 44.905 0.142 25439 17046 1 23 . 1 1 99 99 GLY H H 99 9.273 9.273 8.831 0.442 25439 17047 1 23 . 1 1 100 100 TYR N N 100 120.784 120.784 122.246 -1.462 25439 17048 1 23 . 1 1 100 100 TYR HA H 100 4.704 4.704 4.582 0.122 25439 17049 1 23 . 1 1 100 100 TYR CA C 100 57.697 57.697 56.440 1.257 25439 17050 1 23 . 1 1 100 100 TYR CB C 100 39.413 39.413 36.101 3.312 25439 17051 1 23 . 1 1 100 100 TYR H H 100 8.457 8.457 8.143 0.314 25439 17052 1 23 . 1 1 101 101 GLU N N 101 119.482 119.482 120.704 -1.222 25439 17053 1 23 . 1 1 101 101 GLU HA H 101 4.601 4.601 4.233 0.368 25439 17054 1 23 . 1 1 101 101 GLU CA C 101 61.207 61.207 58.663 2.544 25439 17055 1 23 . 1 1 101 101 GLU CB C 101 29.648 29.648 30.241 -0.593 25439 17056 1 23 . 1 1 101 101 GLU H H 101 9.836 9.836 7.921 1.915 25439 17057 1 23 . 1 1 102 102 LYS N N 102 115.179 115.179 120.146 -4.967 25439 17058 1 23 . 1 1 102 102 LYS HA H 102 4.295 4.295 4.618 -0.323 25439 17059 1 23 . 1 1 102 102 LYS CA C 102 54.207 54.207 55.528 -1.321 25439 17060 1 23 . 1 1 102 102 LYS CB C 102 32.489 32.489 33.093 -0.604 25439 17061 1 23 . 1 1 102 102 LYS H H 102 8.291 8.291 7.828 0.463 25439 17062 1 23 . 1 1 103 103 LEU N N 103 119.637 119.637 120.720 -1.083 25439 17063 1 23 . 1 1 103 103 LEU HA H 103 4.385 4.385 5.039 -0.654 25439 17064 1 23 . 1 1 103 103 LEU CA C 103 56.549 56.549 54.179 2.370 25439 17065 1 23 . 1 1 103 103 LEU CB C 103 43.864 43.864 44.439 -0.575 25439 17066 1 23 . 1 1 103 103 LEU H H 103 7.642 7.642 8.221 -0.579 25439 17067 1 23 . 1 1 104 104 CYS N N 104 129.651 129.651 118.628 11.023 25439 17068 1 23 . 1 1 104 104 CYS HA H 104 4.498 4.498 4.918 -0.420 25439 17069 1 23 . 1 1 104 104 CYS CA C 104 58.076 58.076 58.521 -0.445 25439 17070 1 23 . 1 1 104 104 CYS CB C 104 32.301 32.301 28.104 4.197 25439 17071 1 23 . 1 1 104 104 CYS H H 104 8.638 8.638 8.819 -0.181 25439 17072 1 23 . 1 1 105 105 CYS N N 105 120.206 120.206 117.876 2.330 25439 17073 1 23 . 1 1 105 105 CYS HA H 105 4.806 4.806 4.743 0.063 25439 17074 1 23 . 1 1 105 105 CYS CA C 105 58.271 58.271 56.995 1.276 25439 17075 1 23 . 1 1 105 105 CYS CB C 105 32.062 32.062 29.833 2.229 25439 17076 1 23 . 1 1 105 105 CYS H H 105 8.158 8.158 7.903 0.255 25439 17077 1 23 . 1 1 106 106 LEU N N 106 115.513 115.513 121.006 -5.493 25439 17078 1 23 . 1 1 106 106 LEU HA H 106 4.054 4.054 4.207 -0.153 25439 17079 1 23 . 1 1 106 106 LEU CA C 106 56.110 56.110 56.884 -0.774 25439 17080 1 23 . 1 1 106 106 LEU CB C 106 41.227 41.227 42.283 -1.056 25439 17081 1 23 . 1 1 106 106 LEU H H 106 8.466 8.466 8.097 0.369 25439 17082 1 23 . 1 1 107 107 ARG N N 107 122.711 122.711 118.308 4.403 25439 17083 1 23 . 1 1 107 107 ARG HA H 107 3.993 3.993 4.241 -0.248 25439 17084 1 23 . 1 1 107 107 ARG CA C 107 58.311 58.311 57.501 0.810 25439 17085 1 23 . 1 1 107 107 ARG CB C 107 28.965 28.965 29.849 -0.884 25439 17086 1 23 . 1 1 107 107 ARG H H 107 8.131 8.131 8.374 -0.243 25439 17087 1 23 . 1 1 108 108 CYS N N 108 119.055 119.055 116.940 2.115 25439 17088 1 23 . 1 1 108 108 CYS HA H 108 4.101 4.101 4.386 -0.285 25439 17089 1 23 . 1 1 108 108 CYS CA C 108 63.936 63.936 60.554 3.382 25439 17090 1 23 . 1 1 108 108 CYS CB C 108 30.934 30.934 27.257 3.677 25439 17091 1 23 . 1 1 108 108 CYS H H 108 8.010 8.010 8.158 -0.148 25439 17092 1 23 . 1 1 109 109 ILE N N 109 107.315 107.315 113.917 -6.602 25439 17093 1 23 . 1 1 109 109 ILE HA H 109 4.684 4.684 3.971 0.713 25439 17094 1 23 . 1 1 109 109 ILE CA C 109 60.483 60.483 63.006 -2.523 25439 17095 1 23 . 1 1 109 109 ILE CB C 109 38.320 38.320 38.115 0.205 25439 17096 1 23 . 1 1 109 109 ILE H H 109 7.105 7.105 7.727 -0.622 25439 17097 1 23 . 1 1 110 110 GLN N N 110 122.468 122.468 116.651 5.817 25439 17098 1 23 . 1 1 110 110 GLN HA H 110 4.268 4.268 4.527 -0.259 25439 17099 1 23 . 1 1 110 110 GLN CA C 110 55.981 55.981 54.559 1.422 25439 17100 1 23 . 1 1 110 110 GLN CB C 110 29.656 29.656 32.568 -2.912 25439 17101 1 23 . 1 1 110 110 GLN H H 110 7.156 7.156 7.442 -0.286 25439 17102 1 23 . 1 1 111 111 LYS N N 111 124.650 124.650 115.763 8.887 25439 17103 1 23 . 1 1 111 111 LYS HA H 111 4.246 4.246 4.625 -0.379 25439 17104 1 23 . 1 1 111 111 LYS CA C 111 56.546 56.546 54.605 1.941 25439 17105 1 23 . 1 1 111 111 LYS CB C 111 32.846 32.846 34.395 -1.549 25439 17106 1 23 . 1 1 111 111 LYS H H 111 8.522 8.522 8.127 0.395 25439 17107 1 23 . 1 1 112 112 ASN N N 112 120.972 120.972 117.529 3.443 25439 17108 1 23 . 1 1 112 112 ASN HA H 112 4.778 4.778 4.778 -0.000 25439 17109 1 23 . 1 1 112 112 ASN CA C 112 52.902 52.902 53.748 -0.846 25439 17110 1 23 . 1 1 112 112 ASN CB C 112 39.328 39.328 40.712 -1.384 25439 17111 1 23 . 1 1 112 112 ASN H H 112 8.360 8.360 8.408 -0.048 25439 17112 1 23 . 1 1 113 113 GLU N N 113 121.710 121.710 119.934 1.776 25439 17113 1 23 . 1 1 113 113 GLU HA H 113 4.248 4.248 4.651 -0.403 25439 17114 1 23 . 1 1 113 113 GLU CA C 113 58.611 58.611 56.266 2.345 25439 17115 1 23 . 1 1 113 113 GLU CB C 113 29.590 29.590 30.240 -0.650 25439 17116 1 23 . 1 1 113 113 GLU H H 113 9.023 9.023 8.354 0.669 25439 17117 1 23 . 1 1 114 114 THR N N 114 112.186 112.186 113.430 -1.244 25439 17118 1 23 . 1 1 114 114 THR HA H 114 4.321 4.321 4.546 -0.225 25439 17119 1 23 . 1 1 114 114 THR CA C 114 63.161 63.161 60.652 2.509 25439 17120 1 23 . 1 1 114 114 THR CB C 114 69.481 69.481 70.230 -0.749 25439 17121 1 23 . 1 1 114 114 THR H H 114 8.112 8.112 7.939 0.173 25439 17122 1 23 . 1 1 115 115 ASN N N 115 119.112 119.112 119.096 0.016 25439 17123 1 23 . 1 1 115 115 ASN HA H 115 4.829 4.829 4.947 -0.118 25439 17124 1 23 . 1 1 115 115 ASN CA C 115 53.110 53.110 51.946 1.164 25439 17125 1 23 . 1 1 115 115 ASN CB C 115 38.659 38.659 39.789 -1.130 25439 17126 1 23 . 1 1 115 115 ASN H H 115 8.047 8.047 8.515 -0.469 25439 17127 1 23 . 1 1 116 116 ASN N N 116 117.175 117.175 117.915 -0.740 25439 17128 1 23 . 1 1 116 116 ASN HA H 116 4.615 4.615 4.546 0.069 25439 17129 1 23 . 1 1 116 116 ASN CA C 116 53.965 53.965 54.692 -0.727 25439 17130 1 23 . 1 1 116 116 ASN CB C 116 38.173 38.173 38.480 -0.307 25439 17131 1 23 . 1 1 116 116 ASN H H 116 8.364 8.364 8.458 -0.094 25439 17132 1 23 . 1 1 117 117 GLY N N 117 107.294 107.294 109.880 -2.586 25439 17133 1 23 . 1 1 117 117 GLY CA C 117 45.882 45.882 45.390 0.492 25439 17134 1 23 . 1 1 117 117 GLY H H 117 8.264 8.264 8.794 -0.530 25439 17135 1 23 . 1 1 118 118 SER N N 118 115.475 115.475 115.148 0.327 25439 17136 1 23 . 1 1 118 118 SER HA H 118 4.586 4.586 4.628 -0.042 25439 17137 1 23 . 1 1 118 118 SER CA C 118 57.974 57.974 57.487 0.487 25439 17138 1 23 . 1 1 118 118 SER CB C 118 64.479 64.479 64.158 0.321 25439 17139 1 23 . 1 1 118 118 SER H H 118 7.905 7.905 8.387 -0.482 25439 17140 1 23 . 1 1 119 119 THR N N 119 111.360 111.360 115.590 -4.230 25439 17141 1 23 . 1 1 119 119 THR HA H 119 4.450 4.450 4.539 -0.089 25439 17142 1 23 . 1 1 119 119 THR CA C 119 61.215 61.215 60.796 0.419 25439 17143 1 23 . 1 1 119 119 THR CB C 119 70.569 70.569 70.056 0.513 25439 17144 1 23 . 1 1 119 119 THR H H 119 8.044 8.044 7.748 0.296 25439 17145 1 23 . 1 1 120 120 CYS N N 120 122.708 122.708 121.955 0.753 25439 17146 1 23 . 1 1 120 120 CYS HA H 120 4.255 4.255 4.454 -0.199 25439 17147 1 23 . 1 1 120 120 CYS CA C 120 61.469 61.469 59.703 1.766 25439 17148 1 23 . 1 1 120 120 CYS CB C 120 30.892 30.892 28.275 2.617 25439 17149 1 23 . 1 1 120 120 CYS H H 120 8.045 8.045 8.249 -0.204 25439 17150 1 23 . 1 1 121 121 ILE N N 121 132.463 132.463 124.235 8.228 25439 17151 1 23 . 1 1 121 121 ILE HA H 121 4.025 4.025 3.754 0.271 25439 17152 1 23 . 1 1 121 121 ILE CA C 121 63.353 63.353 63.250 0.103 25439 17153 1 23 . 1 1 121 121 ILE CB C 121 38.222 38.222 37.478 0.744 25439 17154 1 23 . 1 1 121 121 ILE H H 121 8.237 8.237 8.544 -0.307 25439 17155 1 23 . 1 1 122 122 CYS N N 122 123.931 123.931 117.596 6.335 25439 17156 1 23 . 1 1 122 122 CYS HA H 122 4.233 4.233 4.159 0.074 25439 17157 1 23 . 1 1 122 122 CYS CA C 122 60.230 60.230 60.407 -0.177 25439 17158 1 23 . 1 1 122 122 CYS CB C 122 30.602 30.602 26.024 4.578 25439 17159 1 23 . 1 1 122 122 CYS H H 122 9.355 9.355 7.529 1.826 25439 17160 1 23 . 1 1 123 123 ARG N N 123 119.561 119.561 121.155 -1.594 25439 17161 1 23 . 1 1 123 123 ARG HA H 123 4.150 4.150 4.277 -0.127 25439 17162 1 23 . 1 1 123 123 ARG CA C 123 53.177 53.177 58.433 -5.256 25439 17163 1 23 . 1 1 123 123 ARG CB C 123 27.961 27.961 30.582 -2.621 25439 17164 1 23 . 1 1 123 123 ARG H H 123 7.677 7.677 7.593 0.084 25439 17165 1 23 . 1 1 124 124 VAL N N 124 122.794 122.794 120.769 2.025 25439 17166 1 23 . 1 1 124 124 VAL HA H 124 4.081 4.081 4.078 0.003 25439 17167 1 23 . 1 1 124 124 VAL CA C 124 60.647 60.647 60.845 -0.198 25439 17168 1 23 . 1 1 124 124 VAL CB C 124 32.857 32.857 31.514 1.343 25439 17169 1 23 . 1 1 124 124 VAL H H 124 7.578 7.578 7.400 0.178 25439 17170 1 23 . 1 1 125 125 PRO HA H 125 4.263 4.263 4.557 -0.294 25439 17171 1 23 . 1 1 125 125 PRO CA C 125 63.268 63.268 62.332 0.936 25439 17172 1 23 . 1 1 125 125 PRO CB C 125 32.379 32.379 32.849 -0.469 25439 17173 1 23 . 1 1 126 126 ARG N N 126 128.350 128.350 120.877 7.473 25439 17174 1 23 . 1 1 126 126 ARG HA H 126 3.912 3.912 4.044 -0.132 25439 17175 1 23 . 1 1 126 126 ARG CA C 126 59.653 59.653 59.608 0.046 25439 17176 1 23 . 1 1 126 126 ARG CB C 126 29.339 29.339 29.709 -0.370 25439 17177 1 23 . 1 1 126 126 ARG H H 126 9.534 9.534 9.000 0.534 25439 17178 1 23 . 1 1 127 127 ALA N N 127 119.169 119.169 121.333 -2.164 25439 17179 1 23 . 1 1 127 127 ALA HA H 127 4.192 4.192 4.063 0.129 25439 17180 1 23 . 1 1 127 127 ALA CA C 127 55.227 55.227 55.035 0.192 25439 17181 1 23 . 1 1 127 127 ALA CB C 127 18.363 18.363 17.671 0.692 25439 17182 1 23 . 1 1 127 127 ALA H H 127 9.263 9.263 8.478 0.785 25439 17183 1 23 . 1 1 128 128 GLN N N 128 117.345 117.345 118.274 -0.929 25439 17184 1 23 . 1 1 128 128 GLN HA H 128 4.209 4.209 4.082 0.127 25439 17185 1 23 . 1 1 128 128 GLN CA C 128 58.506 58.506 58.415 0.091 25439 17186 1 23 . 1 1 128 128 GLN CB C 128 28.220 28.220 28.150 0.070 25439 17187 1 23 . 1 1 128 128 GLN H H 128 7.448 7.448 8.158 -0.710 25439 17188 1 23 . 1 1 129 129 LEU N N 129 120.561 120.561 120.250 0.311 25439 17189 1 23 . 1 1 129 129 LEU HA H 129 4.088 4.088 3.949 0.139 25439 17190 1 23 . 1 1 129 129 LEU CA C 129 57.952 57.952 57.924 0.028 25439 17191 1 23 . 1 1 129 129 LEU CB C 129 41.817 41.817 41.877 -0.060 25439 17192 1 23 . 1 1 129 129 LEU H H 129 7.622 7.622 7.665 -0.043 25439 17193 1 23 . 1 1 130 130 GLU N N 130 119.122 119.122 118.817 0.305 25439 17194 1 23 . 1 1 130 130 GLU HA H 130 3.956 3.956 3.899 0.057 25439 17195 1 23 . 1 1 130 130 GLU CA C 130 59.353 59.353 59.709 -0.356 25439 17196 1 23 . 1 1 130 130 GLU CB C 130 29.337 29.337 29.295 0.042 25439 17197 1 23 . 1 1 130 130 GLU H H 130 8.656 8.656 8.636 0.020 25439 17198 1 23 . 1 1 131 131 GLU N N 131 121.469 121.469 118.988 2.481 25439 17199 1 23 . 1 1 131 131 GLU HA H 131 4.163 4.163 3.998 0.165 25439 17200 1 23 . 1 1 131 131 GLU CA C 131 59.288 59.288 59.615 -0.327 25439 17201 1 23 . 1 1 131 131 GLU CB C 131 29.422 29.422 29.554 -0.132 25439 17202 1 23 . 1 1 131 131 GLU H H 131 7.922 7.922 7.786 0.136 25439 17203 1 23 . 1 1 132 132 GLU N N 132 119.241 119.241 118.783 0.458 25439 17204 1 23 . 1 1 132 132 GLU HA H 132 3.998 3.998 4.032 -0.034 25439 17205 1 23 . 1 1 132 132 GLU CA C 132 59.327 59.327 59.307 0.020 25439 17206 1 23 . 1 1 132 132 GLU CB C 132 29.421 29.421 29.236 0.185 25439 17207 1 23 . 1 1 132 132 GLU H H 132 8.099 8.099 7.643 0.456 25439 17208 1 23 . 1 1 133 133 ALA N N 133 121.302 121.302 121.726 -0.424 25439 17209 1 23 . 1 1 133 133 ALA HA H 133 4.053 4.053 4.031 0.022 25439 17210 1 23 . 1 1 133 133 ALA CA C 133 54.973 54.973 55.068 -0.095 25439 17211 1 23 . 1 1 133 133 ALA CB C 133 18.154 18.154 18.211 -0.057 25439 17212 1 23 . 1 1 133 133 ALA H H 133 7.795 7.795 7.456 0.339 25439 17213 1 23 . 1 1 134 134 ARG N N 134 118.757 118.757 117.448 1.309 25439 17214 1 23 . 1 1 134 134 ARG HA H 134 4.143 4.143 4.061 0.082 25439 17215 1 23 . 1 1 134 134 ARG CA C 134 59.438 59.438 58.665 0.773 25439 17216 1 23 . 1 1 134 134 ARG CB C 134 30.148 30.148 29.706 0.443 25439 17217 1 23 . 1 1 134 134 ARG H H 134 8.145 8.145 7.799 0.346 25439 17218 1 23 . 1 1 135 135 LYS N N 135 119.496 119.496 119.610 -0.114 25439 17219 1 23 . 1 1 135 135 LYS HA H 135 4.073 4.073 4.202 -0.129 25439 17220 1 23 . 1 1 135 135 LYS CA C 135 59.327 59.327 58.531 0.796 25439 17221 1 23 . 1 1 135 135 LYS CB C 135 32.539 32.539 32.590 -0.051 25439 17222 1 23 . 1 1 135 135 LYS H H 135 8.036 8.036 7.639 0.397 25439 17223 1 23 . 1 1 136 136 LYS N N 136 116.645 116.645 117.539 -0.894 25439 17224 1 23 . 1 1 136 136 LYS HA H 136 4.362 4.362 4.442 -0.080 25439 17225 1 23 . 1 1 136 136 LYS CA C 136 56.575 56.575 55.453 1.122 25439 17226 1 23 . 1 1 136 136 LYS CB C 136 33.629 33.629 32.240 1.389 25439 17227 1 23 . 1 1 136 136 LYS H H 136 7.682 7.682 7.552 0.130 25439 17228 1 23 . 1 1 137 137 GLY N N 137 109.349 109.349 108.883 0.466 25439 17229 1 23 . 1 1 137 137 GLY CA C 137 46.358 46.358 46.219 0.139 25439 17230 1 23 . 1 1 137 137 GLY H H 137 8.064 8.064 7.794 0.270 25439 17231 1 23 . 1 1 138 138 THR N N 138 112.870 112.870 112.449 0.421 25439 17232 1 23 . 1 1 138 138 THR HA H 138 4.735 4.735 4.623 0.112 25439 17233 1 23 . 1 1 138 138 THR CA C 138 59.308 59.308 60.655 -1.347 25439 17234 1 23 . 1 1 138 138 THR CB C 138 70.755 70.755 70.275 0.480 25439 17235 1 23 . 1 1 138 138 THR H H 138 8.111 8.111 8.027 0.084 25439 17236 1 23 . 1 1 139 139 GLN N N 139 118.177 118.177 119.107 -0.930 25439 17237 1 23 . 1 1 139 139 GLN HA H 139 4.609 4.609 4.687 -0.078 25439 17238 1 23 . 1 1 139 139 GLN CA C 139 54.435 54.435 55.063 -0.628 25439 17239 1 23 . 1 1 139 139 GLN CB C 139 30.777 30.777 31.033 -0.256 25439 17240 1 23 . 1 1 139 139 GLN H H 139 8.227 8.227 8.261 -0.034 25439 17241 1 23 . 1 1 140 140 VAL N N 140 123.601 123.601 118.664 4.937 25439 17242 1 23 . 1 1 140 140 VAL HA H 140 3.790 3.790 4.334 -0.544 25439 17243 1 23 . 1 1 140 140 VAL CA C 140 63.934 63.934 61.671 2.263 25439 17244 1 23 . 1 1 140 140 VAL CB C 140 32.154 32.154 34.500 -2.346 25439 17245 1 23 . 1 1 140 140 VAL H H 140 8.839 8.839 8.222 0.617 25439 17246 1 23 . 1 1 141 141 SER HA H 141 4.524 4.524 4.611 -0.087 25439 17247 1 23 . 1 1 141 141 SER CA C 141 57.841 57.841 57.970 -0.129 25439 17248 1 23 . 1 1 141 141 SER CB C 141 64.174 64.174 63.426 0.748 25439 17249 1 23 . 1 1 142 142 PHE N N 142 123.726 123.726 126.656 -2.930 25439 17250 1 23 . 1 1 142 142 PHE HA H 142 4.458 4.458 4.718 -0.260 25439 17251 1 23 . 1 1 142 142 PHE CA C 142 58.673 58.673 57.666 1.007 25439 17252 1 23 . 1 1 142 142 PHE CB C 142 40.055 40.055 41.350 -1.295 25439 17253 1 23 . 1 1 142 142 PHE H H 142 7.534 7.534 8.244 -0.710 25439 17254 1 23 . 1 1 143 143 HIS N N 143 126.548 126.548 117.947 8.601 25439 17255 1 23 . 1 1 143 143 HIS HA H 143 4.336 4.336 4.356 -0.020 25439 17256 1 23 . 1 1 143 143 HIS CA C 143 56.837 56.837 55.789 1.048 25439 17257 1 23 . 1 1 143 143 HIS CB C 143 31.949 31.949 32.256 -0.307 25439 17258 1 23 . 1 1 143 143 HIS H H 143 8.308 8.308 7.352 0.956 25439 17259 1 23 . 1 1 144 144 GLN N N 144 115.094 115.094 116.222 -1.128 25439 17260 1 23 . 1 1 144 144 GLN HA H 144 4.433 4.433 4.449 -0.016 25439 17261 1 23 . 1 1 144 144 GLN CA C 144 54.210 54.210 53.371 0.839 25439 17262 1 23 . 1 1 144 144 GLN CB C 144 32.925 32.925 31.749 1.176 25439 17263 1 23 . 1 1 144 144 GLN H H 144 7.203 7.203 7.020 0.183 25439 17264 1 23 . 1 1 145 145 CYS N N 145 123.088 123.088 119.018 4.070 25439 17265 1 23 . 1 1 145 145 CYS HA H 145 4.961 4.961 4.957 0.004 25439 17266 1 23 . 1 1 145 145 CYS CA C 145 57.978 57.978 57.312 0.666 25439 17267 1 23 . 1 1 145 145 CYS CB C 145 33.555 33.555 29.604 3.951 25439 17268 1 23 . 1 1 145 145 CYS H H 145 8.668 8.668 8.681 -0.013 25439 17269 1 23 . 1 1 146 146 VAL N N 146 113.265 113.265 121.489 -8.224 25439 17270 1 23 . 1 1 146 146 VAL HA H 146 4.238 4.238 4.261 -0.023 25439 17271 1 23 . 1 1 146 146 VAL CA C 146 64.001 64.001 64.778 -0.777 25439 17272 1 23 . 1 1 146 146 VAL CB C 146 32.157 32.157 32.191 -0.033 25439 17273 1 23 . 1 1 146 146 VAL H H 146 8.198 8.198 8.515 -0.317 25439 17274 1 23 . 1 1 147 147 HIS N N 147 120.556 120.556 118.906 1.650 25439 17275 1 23 . 1 1 147 147 HIS HA H 147 4.604 4.604 4.364 0.240 25439 17276 1 23 . 1 1 147 147 HIS CA C 147 58.708 58.708 58.527 0.181 25439 17277 1 23 . 1 1 147 147 HIS CB C 147 32.204 32.204 29.168 3.036 25439 17278 1 23 . 1 1 147 147 HIS H H 147 7.151 7.151 8.408 -1.257 25439 17279 1 23 . 1 1 148 148 CYS N N 148 112.110 112.110 112.396 -0.286 25439 17280 1 23 . 1 1 148 148 CYS HA H 148 4.889 4.889 4.729 0.160 25439 17281 1 23 . 1 1 148 148 CYS CA C 148 57.952 57.952 55.461 2.491 25439 17282 1 23 . 1 1 148 148 CYS CB C 148 32.956 32.956 30.285 2.671 25439 17283 1 23 . 1 1 148 148 CYS H H 148 7.413 7.413 7.289 0.124 25439 17284 1 23 . 1 1 149 149 GLY N N 149 112.797 112.797 108.247 4.550 25439 17285 1 23 . 1 1 149 149 GLY CA C 149 45.327 45.327 44.374 0.953 25439 17286 1 23 . 1 1 149 149 GLY H H 149 6.949 6.949 8.279 -1.330 25439 17287 1 23 . 1 1 150 150 CYS N N 150 127.277 127.277 120.363 6.914 25439 17288 1 23 . 1 1 150 150 CYS HA H 150 3.932 3.932 4.564 -0.632 25439 17289 1 23 . 1 1 150 150 CYS CA C 150 61.362 61.362 57.042 4.320 25439 17290 1 23 . 1 1 150 150 CYS CB C 150 30.632 30.632 29.788 0.844 25439 17291 1 23 . 1 1 150 150 CYS H H 150 8.240 8.240 7.171 1.069 25439 17292 1 23 . 1 1 151 151 ARG N N 151 125.476 125.476 126.594 -1.118 25439 17293 1 23 . 1 1 151 151 ARG HA H 151 4.775 4.775 4.295 0.480 25439 17294 1 23 . 1 1 151 151 ARG CA C 151 56.164 56.164 55.127 1.037 25439 17295 1 23 . 1 1 151 151 ARG CB C 151 30.354 30.354 29.270 1.084 25439 17296 1 23 . 1 1 151 151 ARG H H 151 8.492 8.492 8.615 -0.123 25439 17297 1 23 . 1 1 152 152 GLY N N 152 117.275 117.275 108.619 8.656 25439 17298 1 23 . 1 1 152 152 GLY CA C 152 45.523 45.523 45.339 0.184 25439 17299 1 23 . 1 1 152 152 GLY H H 152 9.812 9.812 7.662 2.150 25439 17300 1 23 . 1 1 153 153 CYS N N 153 126.187 126.187 119.011 7.176 25439 17301 1 23 . 1 1 153 153 CYS HA H 153 4.842 4.842 4.829 0.013 25439 17302 1 23 . 1 1 153 153 CYS CA C 153 57.130 57.130 55.843 1.287 25439 17303 1 23 . 1 1 153 153 CYS CB C 153 31.368 31.368 28.158 3.210 25439 17304 1 23 . 1 1 153 153 CYS H H 153 8.930 8.930 8.254 0.676 25439 17305 1 23 . 1 1 154 154 ALA N N 154 125.869 125.869 126.273 -0.404 25439 17306 1 23 . 1 1 154 154 ALA HA H 154 4.159 4.159 5.037 -0.878 25439 17307 1 23 . 1 1 154 154 ALA CA C 154 53.187 53.187 51.365 1.822 25439 17308 1 23 . 1 1 154 154 ALA CB C 154 18.937 18.937 21.318 -2.381 25439 17309 1 23 . 1 1 154 154 ALA H H 154 8.616 8.616 8.393 0.223 25439 17310 1 23 . 1 1 155 155 SER N N 155 116.724 116.724 118.754 -2.030 25439 17311 1 23 . 1 1 155 155 SER HA H 155 4.283 4.283 4.408 -0.125 25439 17312 1 23 . 1 1 155 155 SER CA C 155 60.136 60.136 59.854 0.282 25439 17313 1 23 . 1 1 155 155 SER CB C 155 63.575 63.575 64.217 -0.642 25439 17314 1 23 . 1 1 155 155 SER H H 155 9.358 9.358 8.839 0.519 25439 17315 1 23 . 1 1 156 156 THR N N 156 111.893 111.893 114.738 -2.845 25439 17316 1 23 . 1 1 156 156 THR HA H 156 4.358 4.358 4.064 0.294 25439 17317 1 23 . 1 1 156 156 THR CA C 156 61.264 61.264 64.356 -3.092 25439 17318 1 23 . 1 1 156 156 THR CB C 156 69.999 69.999 69.070 0.929 25439 17319 1 23 . 1 1 156 156 THR H H 156 7.638 7.638 8.157 -0.519 25439 17320 1 24 . 1 1 0 0 GLY CA C 0 43.750 43.750 44.378 -0.628 25439 17321 1 24 . 1 1 1 1 SER N N 1 117.201 117.201 115.072 2.129 25439 17322 1 24 . 1 1 1 1 SER HA H 1 4.809 4.809 4.682 0.127 25439 17323 1 24 . 1 1 1 1 SER CA C 1 56.525 56.525 56.719 -0.194 25439 17324 1 24 . 1 1 1 1 SER CB C 1 63.385 63.385 64.339 -0.954 25439 17325 1 24 . 1 1 1 1 SER H H 1 8.381 8.381 8.287 0.094 25439 17326 1 24 . 1 1 2 2 PRO HA H 2 4.468 4.468 4.476 -0.008 25439 17327 1 24 . 1 1 2 2 PRO CA C 2 63.292 63.292 62.850 0.442 25439 17328 1 24 . 1 1 2 2 PRO CB C 2 32.174 32.174 32.079 0.095 25439 17329 1 24 . 1 1 3 3 ARG N N 3 121.649 121.649 123.826 -2.177 25439 17330 1 24 . 1 1 3 3 ARG HA H 3 4.324 4.324 4.637 -0.313 25439 17331 1 24 . 1 1 3 3 ARG CA C 3 56.226 56.226 55.528 0.698 25439 17332 1 24 . 1 1 3 3 ARG CB C 3 30.732 30.732 29.623 1.109 25439 17333 1 24 . 1 1 3 3 ARG H H 3 8.428 8.428 8.594 -0.166 25439 17334 1 24 . 1 1 4 4 ILE N N 4 122.500 122.500 118.288 4.212 25439 17335 1 24 . 1 1 4 4 ILE HA H 4 4.181 4.181 4.395 -0.214 25439 17336 1 24 . 1 1 4 4 ILE CA C 4 60.943 60.943 61.442 -0.499 25439 17337 1 24 . 1 1 4 4 ILE CB C 4 38.751 38.751 40.200 -1.449 25439 17338 1 24 . 1 1 4 4 ILE H H 4 8.165 8.165 7.973 0.192 25439 17339 1 24 . 1 1 5 5 LYS N N 5 126.237 126.237 127.423 -1.186 25439 17340 1 24 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.636 -0.234 25439 17341 1 24 . 1 1 5 5 LYS CA C 5 56.422 56.422 56.425 -0.003 25439 17342 1 24 . 1 1 5 5 LYS CB C 5 33.130 33.130 33.022 0.108 25439 17343 1 24 . 1 1 5 5 LYS H H 5 8.500 8.500 8.563 -0.063 25439 17344 1 24 . 1 1 6 6 THR N N 6 116.495 116.495 114.088 2.407 25439 17345 1 24 . 1 1 6 6 THR HA H 6 4.323 4.323 4.591 -0.268 25439 17346 1 24 . 1 1 6 6 THR CA C 6 61.918 61.918 61.339 0.579 25439 17347 1 24 . 1 1 6 6 THR CB C 6 69.963 69.963 70.529 -0.566 25439 17348 1 24 . 1 1 6 6 THR H H 6 8.194 8.194 8.331 -0.137 25439 17349 1 24 . 1 1 7 7 ARG N N 7 124.128 124.128 120.992 3.136 25439 17350 1 24 . 1 1 7 7 ARG HA H 7 4.396 4.396 4.599 -0.203 25439 17351 1 24 . 1 1 7 7 ARG CA C 7 56.128 56.128 55.463 0.665 25439 17352 1 24 . 1 1 7 7 ARG CB C 7 30.953 30.953 31.920 -0.967 25439 17353 1 24 . 1 1 7 7 ARG H H 7 8.458 8.458 8.426 0.032 25439 17354 1 24 . 1 1 8 8 ARG N N 8 123.384 123.384 120.757 2.627 25439 17355 1 24 . 1 1 8 8 ARG HA H 8 4.424 4.424 4.589 -0.165 25439 17356 1 24 . 1 1 8 8 ARG CA C 8 56.011 56.011 56.143 -0.132 25439 17357 1 24 . 1 1 8 8 ARG CB C 8 31.058 31.058 30.839 0.219 25439 17358 1 24 . 1 1 8 8 ARG H H 8 8.526 8.526 8.419 0.107 25439 17359 1 24 . 1 1 9 9 SER N N 9 118.446 118.446 115.019 3.427 25439 17360 1 24 . 1 1 9 9 SER HA H 9 4.473 4.473 4.599 -0.126 25439 17361 1 24 . 1 1 9 9 SER CA C 9 58.568 58.568 58.943 -0.375 25439 17362 1 24 . 1 1 9 9 SER CB C 9 63.986 63.986 63.194 0.792 25439 17363 1 24 . 1 1 9 9 SER H H 9 8.450 8.450 7.960 0.490 25439 17364 1 24 . 1 1 10 10 LYS N N 10 124.117 124.117 122.654 1.463 25439 17365 1 24 . 1 1 10 10 LYS HA H 10 4.673 4.673 4.864 -0.191 25439 17366 1 24 . 1 1 10 10 LYS CA C 10 54.412 54.412 53.755 0.657 25439 17367 1 24 . 1 1 10 10 LYS CB C 10 32.693 32.693 33.444 -0.751 25439 17368 1 24 . 1 1 10 10 LYS H H 10 8.426 8.426 8.184 0.242 25439 17369 1 24 . 1 1 11 11 PRO HA H 11 4.360 4.360 4.513 -0.153 25439 17370 1 24 . 1 1 11 11 PRO CA C 11 62.861 62.861 62.603 0.258 25439 17371 1 24 . 1 1 11 11 PRO CB C 11 32.106 32.106 32.616 -0.510 25439 17372 1 24 . 1 1 12 12 ALA N N 12 124.420 124.420 123.038 1.382 25439 17373 1 24 . 1 1 12 12 ALA HA H 12 2.889 2.889 3.550 -0.661 25439 17374 1 24 . 1 1 12 12 ALA CA C 12 49.735 49.735 48.563 1.172 25439 17375 1 24 . 1 1 12 12 ALA CB C 12 18.066 18.066 17.723 0.343 25439 17376 1 24 . 1 1 12 12 ALA H H 12 7.890 7.890 7.779 0.111 25439 17377 1 24 . 1 1 13 13 PRO HA H 13 4.207 4.207 4.454 -0.247 25439 17378 1 24 . 1 1 13 13 PRO CA C 13 62.111 62.111 61.942 0.169 25439 17379 1 24 . 1 1 13 13 PRO CB C 13 32.582 32.582 32.239 0.343 25439 17380 1 24 . 1 1 14 14 ASP N N 14 119.535 119.535 120.198 -0.663 25439 17381 1 24 . 1 1 14 14 ASP HA H 14 4.379 4.379 4.313 0.066 25439 17382 1 24 . 1 1 14 14 ASP CA C 14 56.427 56.427 57.334 -0.907 25439 17383 1 24 . 1 1 14 14 ASP CB C 14 41.177 41.177 40.426 0.751 25439 17384 1 24 . 1 1 14 14 ASP H H 14 8.206 8.206 8.640 -0.434 25439 17385 1 24 . 1 1 15 15 GLY N N 15 113.273 113.273 108.034 5.239 25439 17386 1 24 . 1 1 15 15 GLY CA C 15 45.146 45.146 46.823 -1.677 25439 17387 1 24 . 1 1 15 15 GLY H H 15 8.723 8.723 8.445 0.278 25439 17388 1 24 . 1 1 16 16 PHE N N 16 123.113 123.113 122.634 0.479 25439 17389 1 24 . 1 1 16 16 PHE HA H 16 4.125 4.125 4.299 -0.174 25439 17390 1 24 . 1 1 16 16 PHE CA C 16 60.715 60.715 59.367 1.348 25439 17391 1 24 . 1 1 16 16 PHE CB C 16 39.639 39.639 39.096 0.543 25439 17392 1 24 . 1 1 16 16 PHE H H 16 8.127 8.127 8.272 -0.145 25439 17393 1 24 . 1 1 17 17 GLU N N 17 115.695 115.695 119.337 -3.642 25439 17394 1 24 . 1 1 17 17 GLU HA H 17 3.768 3.768 3.824 -0.056 25439 17395 1 24 . 1 1 17 17 GLU CA C 17 59.234 59.234 59.453 -0.219 25439 17396 1 24 . 1 1 17 17 GLU CB C 17 28.495 28.495 29.032 -0.537 25439 17397 1 24 . 1 1 17 17 GLU H H 17 9.088 9.088 8.136 0.952 25439 17398 1 24 . 1 1 18 18 LYS N N 18 115.887 115.887 117.575 -1.688 25439 17399 1 24 . 1 1 18 18 LYS HA H 18 4.165 4.165 4.097 0.068 25439 17400 1 24 . 1 1 18 18 LYS CA C 18 58.249 58.249 58.804 -0.555 25439 17401 1 24 . 1 1 18 18 LYS CB C 18 32.725 32.725 32.955 -0.230 25439 17402 1 24 . 1 1 18 18 LYS H H 18 7.285 7.285 7.711 -0.426 25439 17403 1 24 . 1 1 19 19 ILE N N 19 110.277 110.277 110.570 -0.293 25439 17404 1 24 . 1 1 19 19 ILE HA H 19 4.722 4.722 4.684 0.038 25439 17405 1 24 . 1 1 19 19 ILE CA C 19 61.093 61.093 59.861 1.232 25439 17406 1 24 . 1 1 19 19 ILE CB C 19 39.139 39.139 38.218 0.922 25439 17407 1 24 . 1 1 19 19 ILE H H 19 7.031 7.031 7.609 -0.578 25439 17408 1 24 . 1 1 20 20 LYS N N 20 124.540 124.540 122.445 2.095 25439 17409 1 24 . 1 1 20 20 LYS HA H 20 3.603 3.603 3.683 -0.080 25439 17410 1 24 . 1 1 20 20 LYS CA C 20 60.917 60.917 60.371 0.546 25439 17411 1 24 . 1 1 20 20 LYS CB C 20 30.210 30.210 30.739 -0.529 25439 17412 1 24 . 1 1 20 20 LYS H H 20 7.666 7.666 7.357 0.309 25439 17413 1 24 . 1 1 21 21 PRO HA H 21 4.292 4.292 4.581 -0.289 25439 17414 1 24 . 1 1 21 21 PRO CA C 21 66.990 66.990 65.257 1.733 25439 17415 1 24 . 1 1 21 21 PRO CB C 21 30.779 30.779 31.486 -0.707 25439 17416 1 24 . 1 1 22 22 THR N N 22 114.917 114.917 115.504 -0.587 25439 17417 1 24 . 1 1 22 22 THR HA H 22 3.866 3.866 4.074 -0.208 25439 17418 1 24 . 1 1 22 22 THR CA C 22 66.575 66.575 66.850 -0.275 25439 17419 1 24 . 1 1 22 22 THR CB C 22 68.731 68.731 68.126 0.605 25439 17420 1 24 . 1 1 22 22 THR H H 22 7.331 7.331 8.415 -1.084 25439 17421 1 24 . 1 1 23 23 LEU N N 23 120.152 120.152 120.038 0.114 25439 17422 1 24 . 1 1 23 23 LEU HA H 23 4.397 4.397 3.994 0.403 25439 17423 1 24 . 1 1 23 23 LEU CA C 23 58.740 58.740 57.959 0.781 25439 17424 1 24 . 1 1 23 23 LEU CB C 23 40.489 40.489 41.750 -1.261 25439 17425 1 24 . 1 1 23 23 LEU H H 23 7.991 7.991 7.515 0.476 25439 17426 1 24 . 1 1 24 24 THR N N 24 119.365 119.365 115.016 4.349 25439 17427 1 24 . 1 1 24 24 THR HA H 24 4.095 4.095 4.047 0.048 25439 17428 1 24 . 1 1 24 24 THR CA C 24 66.834 66.834 65.669 1.165 25439 17429 1 24 . 1 1 24 24 THR CB C 24 68.614 68.614 68.013 0.601 25439 17430 1 24 . 1 1 24 24 THR H H 24 9.175 9.175 7.616 1.559 25439 17431 1 24 . 1 1 25 25 ASP N N 25 122.865 122.865 121.773 1.092 25439 17432 1 24 . 1 1 25 25 ASP HA H 25 4.483 4.483 4.414 0.069 25439 17433 1 24 . 1 1 25 25 ASP CA C 25 58.158 58.158 57.283 0.875 25439 17434 1 24 . 1 1 25 25 ASP CB C 25 40.329 40.329 40.273 0.056 25439 17435 1 24 . 1 1 25 25 ASP H H 25 7.714 7.714 7.935 -0.221 25439 17436 1 24 . 1 1 26 26 PHE N N 26 116.182 116.182 119.680 -3.498 25439 17437 1 24 . 1 1 26 26 PHE HA H 26 4.457 4.457 4.073 0.384 25439 17438 1 24 . 1 1 26 26 PHE CA C 26 62.531 62.531 62.391 0.140 25439 17439 1 24 . 1 1 26 26 PHE CB C 26 39.468 39.468 38.843 0.625 25439 17440 1 24 . 1 1 26 26 PHE H H 26 7.816 7.816 7.914 -0.098 25439 17441 1 24 . 1 1 27 27 GLU N N 27 120.107 120.107 118.803 1.304 25439 17442 1 24 . 1 1 27 27 GLU HA H 27 4.113 4.113 4.034 0.079 25439 17443 1 24 . 1 1 27 27 GLU CA C 27 59.852 59.852 59.285 0.567 25439 17444 1 24 . 1 1 27 27 GLU CB C 27 29.692 29.692 29.289 0.403 25439 17445 1 24 . 1 1 27 27 GLU H H 27 8.068 8.068 7.981 0.087 25439 17446 1 24 . 1 1 28 28 ILE N N 28 121.494 121.494 120.058 1.436 25439 17447 1 24 . 1 1 28 28 ILE HA H 28 3.718 3.718 3.815 -0.097 25439 17448 1 24 . 1 1 28 28 ILE CA C 28 65.002 65.002 63.055 1.947 25439 17449 1 24 . 1 1 28 28 ILE CB C 28 38.023 38.023 36.707 1.316 25439 17450 1 24 . 1 1 28 28 ILE H H 28 8.531 8.531 7.964 0.567 25439 17451 1 24 . 1 1 29 29 GLN N N 29 118.941 118.941 120.088 -1.147 25439 17452 1 24 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.060 0.120 25439 17453 1 24 . 1 1 29 29 GLN CA C 29 59.507 59.507 58.795 0.712 25439 17454 1 24 . 1 1 29 29 GLN CB C 29 29.783 29.783 28.480 1.303 25439 17455 1 24 . 1 1 29 29 GLN H H 29 8.117 8.117 7.515 0.602 25439 17456 1 24 . 1 1 30 30 LEU N N 30 121.724 121.724 120.817 0.907 25439 17457 1 24 . 1 1 30 30 LEU HA H 30 4.032 4.032 3.997 0.035 25439 17458 1 24 . 1 1 30 30 LEU CA C 30 58.333 58.333 58.236 0.097 25439 17459 1 24 . 1 1 30 30 LEU CB C 30 42.339 42.339 41.938 0.401 25439 17460 1 24 . 1 1 30 30 LEU H H 30 8.677 8.677 8.717 -0.040 25439 17461 1 24 . 1 1 31 31 ARG N N 31 120.629 120.629 119.701 0.928 25439 17462 1 24 . 1 1 31 31 ARG HA H 31 4.105 4.105 3.885 0.220 25439 17463 1 24 . 1 1 31 31 ARG CA C 31 59.340 59.340 60.207 -0.867 25439 17464 1 24 . 1 1 31 31 ARG CB C 31 30.044 30.044 29.780 0.264 25439 17465 1 24 . 1 1 31 31 ARG H H 31 8.227 8.227 8.407 -0.180 25439 17466 1 24 . 1 1 32 32 ASP N N 32 120.233 120.233 119.810 0.423 25439 17467 1 24 . 1 1 32 32 ASP HA H 32 4.484 4.484 4.378 0.106 25439 17468 1 24 . 1 1 32 32 ASP CA C 32 57.199 57.199 57.828 -0.629 25439 17469 1 24 . 1 1 32 32 ASP CB C 32 40.202 40.202 40.768 -0.566 25439 17470 1 24 . 1 1 32 32 ASP H H 32 8.407 8.407 7.711 0.696 25439 17471 1 24 . 1 1 33 33 ALA N N 33 121.939 121.939 122.327 -0.388 25439 17472 1 24 . 1 1 33 33 ALA HA H 33 4.321 4.321 3.927 0.394 25439 17473 1 24 . 1 1 33 33 ALA CA C 33 54.207 54.207 55.282 -1.075 25439 17474 1 24 . 1 1 33 33 ALA CB C 33 18.738 18.738 18.428 0.310 25439 17475 1 24 . 1 1 33 33 ALA H H 33 8.057 8.057 7.523 0.534 25439 17476 1 24 . 1 1 34 34 GLN N N 34 114.736 114.736 117.133 -2.397 25439 17477 1 24 . 1 1 34 34 GLN HA H 34 4.248 4.248 4.114 0.134 25439 17478 1 24 . 1 1 34 34 GLN CA C 34 56.567 56.567 58.599 -2.031 25439 17479 1 24 . 1 1 34 34 GLN CB C 34 29.743 29.743 28.711 1.032 25439 17480 1 24 . 1 1 34 34 GLN H H 34 7.746 7.746 8.482 -0.736 25439 17481 1 24 . 1 1 35 35 LYS N N 35 120.534 120.534 117.916 2.618 25439 17482 1 24 . 1 1 35 35 LYS HA H 35 4.232 4.232 4.428 -0.196 25439 17483 1 24 . 1 1 35 35 LYS CA C 35 57.427 57.427 57.135 0.292 25439 17484 1 24 . 1 1 35 35 LYS CB C 35 32.887 32.887 32.911 -0.024 25439 17485 1 24 . 1 1 35 35 LYS H H 35 7.570 7.570 8.060 -0.490 25439 17486 1 24 . 1 1 36 36 ASP N N 36 120.943 120.943 121.393 -0.450 25439 17487 1 24 . 1 1 36 36 ASP HA H 36 4.595 4.595 4.398 0.197 25439 17488 1 24 . 1 1 36 36 ASP CA C 36 54.983 54.983 57.262 -2.279 25439 17489 1 24 . 1 1 36 36 ASP CB C 36 41.129 41.129 40.231 0.898 25439 17490 1 24 . 1 1 36 36 ASP H H 36 8.375 8.375 8.721 -0.346 25439 17491 1 24 . 1 1 37 37 LYS N N 37 122.598 122.598 116.382 6.216 25439 17492 1 24 . 1 1 37 37 LYS HA H 37 4.365 4.365 4.004 0.361 25439 17493 1 24 . 1 1 37 37 LYS CA C 37 56.725 56.725 58.751 -2.026 25439 17494 1 24 . 1 1 37 37 LYS CB C 37 32.823 32.823 32.761 0.062 25439 17495 1 24 . 1 1 37 37 LYS H H 37 8.446 8.446 7.598 0.848 25439 17496 1 24 . 1 1 38 38 SER N N 38 115.849 115.849 111.840 4.009 25439 17497 1 24 . 1 1 38 38 SER HA H 38 4.423 4.423 4.585 -0.162 25439 17498 1 24 . 1 1 38 38 SER CA C 38 59.193 59.193 58.089 1.104 25439 17499 1 24 . 1 1 38 38 SER CB C 38 63.744 63.744 63.472 0.272 25439 17500 1 24 . 1 1 38 38 SER H H 38 8.392 8.392 7.575 0.817 25439 17501 1 24 . 1 1 39 39 SER N N 39 117.258 117.258 118.033 -0.775 25439 17502 1 24 . 1 1 39 39 SER HA H 39 4.445 4.445 4.522 -0.077 25439 17503 1 24 . 1 1 39 39 SER CA C 39 58.933 58.933 58.850 0.083 25439 17504 1 24 . 1 1 39 39 SER CB C 39 63.711 63.711 63.509 0.202 25439 17505 1 24 . 1 1 39 39 SER H H 39 8.283 8.283 7.799 0.484 25439 17506 1 24 . 1 1 40 40 LYS N N 40 122.427 122.427 125.444 -3.017 25439 17507 1 24 . 1 1 40 40 LYS HA H 40 4.321 4.321 4.063 0.258 25439 17508 1 24 . 1 1 40 40 LYS CA C 40 56.847 56.847 57.133 -0.286 25439 17509 1 24 . 1 1 40 40 LYS CB C 40 32.764 32.764 32.357 0.407 25439 17510 1 24 . 1 1 40 40 LYS H H 40 8.263 8.263 8.369 -0.106 25439 17511 1 24 . 1 1 41 41 LEU N N 41 121.281 121.281 122.598 -1.317 25439 17512 1 24 . 1 1 41 41 LEU HA H 41 4.308 4.308 4.472 -0.164 25439 17513 1 24 . 1 1 41 41 LEU CA C 41 55.335 55.335 55.350 -0.015 25439 17514 1 24 . 1 1 41 41 LEU CB C 41 42.212 42.212 42.284 -0.072 25439 17515 1 24 . 1 1 41 41 LEU H H 41 8.068 8.068 8.083 -0.015 25439 17516 1 24 . 1 1 42 42 ALA N N 42 123.964 123.964 126.697 -2.733 25439 17517 1 24 . 1 1 42 42 ALA HA H 42 4.274 4.274 4.466 -0.192 25439 17518 1 24 . 1 1 42 42 ALA CA C 42 52.851 52.851 52.574 0.278 25439 17519 1 24 . 1 1 42 42 ALA CB C 42 19.135 19.135 19.061 0.074 25439 17520 1 24 . 1 1 42 42 ALA H H 42 8.111 8.111 8.248 -0.137 25439 17521 1 24 . 1 1 43 43 ALA N N 43 122.146 122.146 122.125 0.021 25439 17522 1 24 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.538 -0.241 25439 17523 1 24 . 1 1 43 43 ALA CA C 43 52.727 52.727 51.383 1.344 25439 17524 1 24 . 1 1 43 43 ALA CB C 43 19.318 19.318 20.117 -0.799 25439 17525 1 24 . 1 1 43 43 ALA H H 43 8.101 8.101 7.473 0.628 25439 17526 1 24 . 1 1 44 44 LYS N N 44 119.454 119.454 119.749 -0.295 25439 17527 1 24 . 1 1 44 44 LYS HA H 44 4.349 4.349 3.989 0.360 25439 17528 1 24 . 1 1 44 44 LYS CA C 44 56.267 56.267 56.844 -0.577 25439 17529 1 24 . 1 1 44 44 LYS CB C 44 32.825 32.825 31.170 1.655 25439 17530 1 24 . 1 1 44 44 LYS H H 44 8.198 8.198 8.455 -0.257 25439 17531 1 24 . 1 1 45 45 SER N N 45 116.660 116.660 115.230 1.430 25439 17532 1 24 . 1 1 45 45 SER HA H 45 4.368 4.368 4.361 0.007 25439 17533 1 24 . 1 1 45 45 SER CA C 45 58.477 58.477 58.743 -0.266 25439 17534 1 24 . 1 1 45 45 SER CB C 45 64.063 64.063 64.082 -0.019 25439 17535 1 24 . 1 1 45 45 SER H H 45 8.251 8.251 8.255 -0.004 25439 17536 1 24 . 1 1 46 46 ASN N N 46 120.516 120.516 120.045 0.471 25439 17537 1 24 . 1 1 46 46 ASN HA H 46 4.361 4.361 4.199 0.162 25439 17538 1 24 . 1 1 46 46 ASN CA C 46 54.657 54.657 55.789 -1.132 25439 17539 1 24 . 1 1 46 46 ASN CB C 46 37.649 37.649 37.702 -0.053 25439 17540 1 24 . 1 1 46 46 ASN H H 46 8.498 8.498 8.510 -0.012 25439 17541 1 24 . 1 1 47 47 GLU N N 47 117.964 117.964 118.142 -0.178 25439 17542 1 24 . 1 1 47 47 GLU HA H 47 3.350 3.350 3.236 0.114 25439 17543 1 24 . 1 1 47 47 GLU CA C 47 59.213 59.213 58.984 0.229 25439 17544 1 24 . 1 1 47 47 GLU CB C 47 28.998 28.998 28.822 0.176 25439 17545 1 24 . 1 1 47 47 GLU H H 47 8.016 8.016 8.297 -0.281 25439 17546 1 24 . 1 1 48 48 GLN N N 48 119.468 119.468 119.486 -0.018 25439 17547 1 24 . 1 1 48 48 GLN HA H 48 4.250 4.250 4.026 0.224 25439 17548 1 24 . 1 1 48 48 GLN CA C 48 58.529 58.529 58.520 0.009 25439 17549 1 24 . 1 1 48 48 GLN CB C 48 28.902 28.902 28.668 0.234 25439 17550 1 24 . 1 1 48 48 GLN H H 48 7.892 7.892 7.356 0.536 25439 17551 1 24 . 1 1 49 49 LEU N N 49 120.145 120.145 119.923 0.222 25439 17552 1 24 . 1 1 49 49 LEU HA H 49 4.232 4.232 4.022 0.210 25439 17553 1 24 . 1 1 49 49 LEU CA C 49 57.479 57.479 57.568 -0.089 25439 17554 1 24 . 1 1 49 49 LEU CB C 49 41.391 41.391 41.787 -0.396 25439 17555 1 24 . 1 1 49 49 LEU H H 49 7.699 7.699 7.418 0.281 25439 17556 1 24 . 1 1 50 50 TRP N N 50 119.596 119.596 118.864 0.732 25439 17557 1 24 . 1 1 50 50 TRP HA H 50 4.520 4.520 4.394 0.126 25439 17558 1 24 . 1 1 50 50 TRP CA C 50 58.353 58.353 58.184 0.169 25439 17559 1 24 . 1 1 50 50 TRP CB C 50 28.880 28.880 28.044 0.836 25439 17560 1 24 . 1 1 50 50 TRP H H 50 8.385 8.385 8.029 0.356 25439 17561 1 24 . 1 1 51 51 GLU N N 51 119.362 119.362 118.645 0.717 25439 17562 1 24 . 1 1 51 51 GLU HA H 51 4.145 4.145 4.085 0.060 25439 17563 1 24 . 1 1 51 51 GLU CA C 51 60.035 60.035 59.389 0.646 25439 17564 1 24 . 1 1 51 51 GLU CB C 51 29.675 29.675 29.436 0.239 25439 17565 1 24 . 1 1 51 51 GLU H H 51 8.223 8.223 7.820 0.403 25439 17566 1 24 . 1 1 52 52 ILE N N 52 119.018 119.018 120.172 -1.154 25439 17567 1 24 . 1 1 52 52 ILE HA H 52 3.673 3.673 3.726 -0.053 25439 17568 1 24 . 1 1 52 52 ILE CA C 52 65.511 65.511 65.250 0.261 25439 17569 1 24 . 1 1 52 52 ILE CB C 52 38.532 38.532 38.162 0.370 25439 17570 1 24 . 1 1 52 52 ILE H H 52 7.801 7.801 7.594 0.207 25439 17571 1 24 . 1 1 53 53 MET N N 53 118.133 118.133 116.630 1.503 25439 17572 1 24 . 1 1 53 53 MET HA H 53 4.452 4.452 4.059 0.393 25439 17573 1 24 . 1 1 53 53 MET CA C 53 58.216 58.216 58.599 -0.383 25439 17574 1 24 . 1 1 53 53 MET CB C 53 31.838 31.838 31.772 0.066 25439 17575 1 24 . 1 1 53 53 MET H H 53 8.411 8.411 7.794 0.617 25439 17576 1 24 . 1 1 54 54 GLN N N 54 120.855 120.855 118.708 2.147 25439 17577 1 24 . 1 1 54 54 GLN HA H 54 4.333 4.333 4.056 0.277 25439 17578 1 24 . 1 1 54 54 GLN CA C 54 59.004 59.004 58.640 0.364 25439 17579 1 24 . 1 1 54 54 GLN CB C 54 27.824 27.824 28.812 -0.988 25439 17580 1 24 . 1 1 54 54 GLN H H 54 8.860 8.860 8.498 0.362 25439 17581 1 24 . 1 1 55 55 LEU N N 55 122.788 122.788 120.084 2.704 25439 17582 1 24 . 1 1 55 55 LEU HA H 55 4.302 4.302 4.195 0.107 25439 17583 1 24 . 1 1 55 55 LEU CA C 55 58.685 58.685 58.016 0.669 25439 17584 1 24 . 1 1 55 55 LEU CB C 55 42.695 42.695 41.779 0.916 25439 17585 1 24 . 1 1 55 55 LEU H H 55 8.298 8.298 8.075 0.223 25439 17586 1 24 . 1 1 56 56 HIS N N 56 118.426 118.426 117.827 0.599 25439 17587 1 24 . 1 1 56 56 HIS HA H 56 4.317 4.317 4.211 0.106 25439 17588 1 24 . 1 1 56 56 HIS CA C 56 60.732 60.732 60.085 0.647 25439 17589 1 24 . 1 1 56 56 HIS CB C 56 30.530 30.530 29.566 0.964 25439 17590 1 24 . 1 1 56 56 HIS H H 56 8.416 8.416 7.797 0.619 25439 17591 1 24 . 1 1 57 57 HIS N N 57 121.197 121.197 119.594 1.603 25439 17592 1 24 . 1 1 57 57 HIS HA H 57 4.318 4.318 4.496 -0.178 25439 17593 1 24 . 1 1 57 57 HIS CA C 57 60.739 60.739 59.008 1.731 25439 17594 1 24 . 1 1 57 57 HIS CB C 57 28.726 28.726 30.085 -1.359 25439 17595 1 24 . 1 1 57 57 HIS H H 57 8.608 8.608 8.207 0.401 25439 17596 1 24 . 1 1 58 58 GLN N N 58 118.739 118.739 118.770 -0.031 25439 17597 1 24 . 1 1 58 58 GLN HA H 58 4.202 4.202 4.080 0.122 25439 17598 1 24 . 1 1 58 58 GLN CA C 58 59.507 59.507 59.602 -0.095 25439 17599 1 24 . 1 1 58 58 GLN CB C 58 29.111 29.111 28.887 0.224 25439 17600 1 24 . 1 1 58 58 GLN H H 58 9.206 9.206 8.258 0.948 25439 17601 1 24 . 1 1 59 59 ARG N N 59 122.498 122.498 120.127 2.371 25439 17602 1 24 . 1 1 59 59 ARG HA H 59 3.437 3.437 3.689 -0.252 25439 17603 1 24 . 1 1 59 59 ARG CA C 59 60.361 60.361 58.675 1.686 25439 17604 1 24 . 1 1 59 59 ARG H H 59 8.623 8.623 8.022 0.601 25439 17605 1 24 . 1 1 60 60 SER N N 60 114.930 114.930 115.245 -0.315 25439 17606 1 24 . 1 1 60 60 SER HA H 60 4.515 4.515 4.185 0.330 25439 17607 1 24 . 1 1 60 60 SER CA C 60 64.832 64.832 61.533 3.299 25439 17608 1 24 . 1 1 60 60 SER CB C 60 63.583 63.583 63.028 0.555 25439 17609 1 24 . 1 1 60 60 SER H H 60 7.993 7.993 8.352 -0.359 25439 17610 1 24 . 1 1 61 61 ARG N N 61 124.417 124.417 122.492 1.925 25439 17611 1 24 . 1 1 61 61 ARG HA H 61 4.204 4.204 4.139 0.065 25439 17612 1 24 . 1 1 61 61 ARG CA C 61 58.852 58.852 59.530 -0.678 25439 17613 1 24 . 1 1 61 61 ARG CB C 61 29.077 29.077 30.205 -1.128 25439 17614 1 24 . 1 1 61 61 ARG H H 61 9.569 9.569 8.604 0.965 25439 17615 1 24 . 1 1 62 62 TYR N N 62 124.484 124.484 121.216 3.268 25439 17616 1 24 . 1 1 62 62 TYR HA H 62 4.676 4.676 4.286 0.390 25439 17617 1 24 . 1 1 62 62 TYR CA C 62 61.006 61.006 62.059 -1.052 25439 17618 1 24 . 1 1 62 62 TYR CB C 62 38.392 38.392 38.592 -0.200 25439 17619 1 24 . 1 1 62 62 TYR H H 62 8.622 8.622 8.207 0.415 25439 17620 1 24 . 1 1 63 63 ILE N N 63 119.789 119.789 119.072 0.717 25439 17621 1 24 . 1 1 63 63 ILE HA H 63 3.492 3.492 3.788 -0.296 25439 17622 1 24 . 1 1 63 63 ILE CA C 63 65.693 65.693 65.621 0.072 25439 17623 1 24 . 1 1 63 63 ILE CB C 63 38.023 38.023 38.289 -0.266 25439 17624 1 24 . 1 1 63 63 ILE H H 63 7.588 7.588 8.088 -0.500 25439 17625 1 24 . 1 1 64 64 TYR N N 64 120.485 120.485 121.246 -0.761 25439 17626 1 24 . 1 1 64 64 TYR HA H 64 4.577 4.577 4.278 0.299 25439 17627 1 24 . 1 1 64 64 TYR CA C 64 61.759 61.759 62.547 -0.788 25439 17628 1 24 . 1 1 64 64 TYR CB C 64 39.772 39.772 38.445 1.327 25439 17629 1 24 . 1 1 64 64 TYR H H 64 9.166 9.166 9.218 -0.052 25439 17630 1 24 . 1 1 65 65 THR N N 65 117.072 117.072 116.841 0.231 25439 17631 1 24 . 1 1 65 65 THR HA H 65 3.562 3.562 3.928 -0.366 25439 17632 1 24 . 1 1 65 65 THR CA C 65 67.016 67.016 67.185 -0.169 25439 17633 1 24 . 1 1 65 65 THR CB C 65 68.711 68.711 68.981 -0.270 25439 17634 1 24 . 1 1 65 65 THR H H 65 8.987 8.987 8.621 0.366 25439 17635 1 24 . 1 1 66 66 LEU N N 66 122.107 122.107 121.184 0.923 25439 17636 1 24 . 1 1 66 66 LEU HA H 66 3.782 3.782 4.247 -0.465 25439 17637 1 24 . 1 1 66 66 LEU CA C 66 58.476 58.476 57.985 0.491 25439 17638 1 24 . 1 1 66 66 LEU CB C 66 43.183 43.183 41.014 2.169 25439 17639 1 24 . 1 1 66 66 LEU H H 66 8.286 8.286 7.676 0.610 25439 17640 1 24 . 1 1 67 67 TYR N N 67 115.264 115.264 119.497 -4.233 25439 17641 1 24 . 1 1 67 67 TYR HA H 67 4.344 4.344 4.105 0.239 25439 17642 1 24 . 1 1 67 67 TYR CA C 67 60.830 60.830 61.675 -0.845 25439 17643 1 24 . 1 1 67 67 TYR CB C 67 40.376 40.376 39.633 0.743 25439 17644 1 24 . 1 1 67 67 TYR H H 67 7.983 7.983 8.540 -0.557 25439 17645 1 24 . 1 1 68 68 TYR N N 68 113.945 113.945 116.648 -2.703 25439 17646 1 24 . 1 1 68 68 TYR HA H 68 3.699 3.699 4.154 -0.455 25439 17647 1 24 . 1 1 68 68 TYR CA C 68 62.030 62.030 60.845 1.185 25439 17648 1 24 . 1 1 68 68 TYR CB C 68 38.046 38.046 38.532 -0.486 25439 17649 1 24 . 1 1 68 68 TYR H H 68 8.297 8.297 7.759 0.538 25439 17650 1 24 . 1 1 69 69 LYS N N 69 114.346 114.346 118.673 -4.327 25439 17651 1 24 . 1 1 69 69 LYS HA H 69 4.564 4.564 4.268 0.296 25439 17652 1 24 . 1 1 69 69 LYS CA C 69 56.821 56.821 57.002 -0.180 25439 17653 1 24 . 1 1 69 69 LYS CB C 69 31.980 31.980 32.906 -0.926 25439 17654 1 24 . 1 1 69 69 LYS H H 69 7.084 7.084 7.474 -0.390 25439 17655 1 24 . 1 1 70 70 ARG N N 70 114.676 114.676 119.626 -4.950 25439 17656 1 24 . 1 1 70 70 ARG HA H 70 4.251 4.251 4.107 0.144 25439 17657 1 24 . 1 1 70 70 ARG CA C 70 56.314 56.314 56.793 -0.479 25439 17658 1 24 . 1 1 70 70 ARG CB C 70 31.128 31.128 30.495 0.633 25439 17659 1 24 . 1 1 70 70 ARG H H 70 8.178 8.178 8.018 0.160 25439 17660 1 24 . 1 1 71 71 LYS N N 71 115.371 115.371 116.032 -0.661 25439 17661 1 24 . 1 1 71 71 LYS HA H 71 4.036 4.036 3.761 0.275 25439 17662 1 24 . 1 1 71 71 LYS CA C 71 57.121 57.121 57.332 -0.211 25439 17663 1 24 . 1 1 71 71 LYS CB C 71 28.897 28.897 30.175 -1.278 25439 17664 1 24 . 1 1 71 71 LYS H H 71 6.843 6.843 7.652 -0.809 25439 17665 1 24 . 1 1 72 72 ALA N N 72 117.701 117.701 122.170 -4.469 25439 17666 1 24 . 1 1 72 72 ALA HA H 72 4.395 4.395 4.409 -0.014 25439 17667 1 24 . 1 1 72 72 ALA CA C 72 52.597 52.597 52.365 0.232 25439 17668 1 24 . 1 1 72 72 ALA CB C 72 21.560 21.560 20.132 1.428 25439 17669 1 24 . 1 1 72 72 ALA H H 72 8.560 8.560 7.625 0.935 25439 17670 1 24 . 1 1 73 73 ILE N N 73 107.605 107.605 120.446 -12.841 25439 17671 1 24 . 1 1 73 73 ILE CB C 73 42.724 42.724 39.081 3.643 25439 17672 1 24 . 1 1 73 73 ILE H H 73 7.074 7.074 7.988 -0.914 25439 17673 1 24 . 1 1 74 74 SER N N 74 118.425 118.425 119.384 -0.959 25439 17674 1 24 . 1 1 74 74 SER HA H 74 4.484 4.484 4.704 -0.220 25439 17675 1 24 . 1 1 74 74 SER CA C 74 57.082 57.082 56.516 0.566 25439 17676 1 24 . 1 1 74 74 SER CB C 74 65.396 65.396 64.509 0.887 25439 17677 1 24 . 1 1 74 74 SER H H 74 8.797 8.797 8.350 0.447 25439 17678 1 24 . 1 1 75 75 LYS N N 75 121.891 121.891 127.178 -5.287 25439 17679 1 24 . 1 1 75 75 LYS HA H 75 3.851 3.851 4.300 -0.449 25439 17680 1 24 . 1 1 75 75 LYS CA C 75 59.624 59.624 59.730 -0.106 25439 17681 1 24 . 1 1 75 75 LYS CB C 75 32.368 32.368 32.547 -0.179 25439 17682 1 24 . 1 1 75 75 LYS H H 75 9.024 9.024 9.135 -0.111 25439 17683 1 24 . 1 1 76 76 ASP N N 76 115.908 115.908 120.121 -4.213 25439 17684 1 24 . 1 1 76 76 ASP HA H 76 4.423 4.423 4.390 0.033 25439 17685 1 24 . 1 1 76 76 ASP CA C 76 57.362 57.362 57.810 -0.449 25439 17686 1 24 . 1 1 76 76 ASP CB C 76 40.391 40.391 40.586 -0.195 25439 17687 1 24 . 1 1 76 76 ASP H H 76 8.161 8.161 7.997 0.164 25439 17688 1 24 . 1 1 77 77 LEU N N 77 121.705 121.705 120.938 0.767 25439 17689 1 24 . 1 1 77 77 LEU HA H 77 4.180 4.180 4.156 0.024 25439 17690 1 24 . 1 1 77 77 LEU CA C 77 57.818 57.818 57.769 0.049 25439 17691 1 24 . 1 1 77 77 LEU H H 77 8.345 8.345 7.815 0.530 25439 17692 1 24 . 1 1 78 78 TYR N N 78 121.511 121.511 120.106 1.405 25439 17693 1 24 . 1 1 78 78 TYR HA H 78 3.789 3.789 3.997 -0.208 25439 17694 1 24 . 1 1 78 78 TYR CA C 78 62.857 62.857 60.854 2.003 25439 17695 1 24 . 1 1 78 78 TYR CB C 78 38.369 38.369 37.857 0.512 25439 17696 1 24 . 1 1 78 78 TYR H H 78 8.598 8.598 8.582 0.016 25439 17697 1 24 . 1 1 79 79 ASP N N 79 117.189 117.189 119.797 -2.608 25439 17698 1 24 . 1 1 79 79 ASP HA H 79 4.066 4.066 4.041 0.025 25439 17699 1 24 . 1 1 79 79 ASP CA C 79 57.219 57.219 57.333 -0.114 25439 17700 1 24 . 1 1 79 79 ASP CB C 79 40.003 40.003 40.669 -0.666 25439 17701 1 24 . 1 1 79 79 ASP H H 79 9.106 9.106 8.598 0.508 25439 17702 1 24 . 1 1 80 80 TRP N N 80 123.400 123.400 122.355 1.045 25439 17703 1 24 . 1 1 80 80 TRP HA H 80 4.160 4.160 4.145 0.015 25439 17704 1 24 . 1 1 80 80 TRP CA C 80 62.368 62.368 61.336 1.032 25439 17705 1 24 . 1 1 80 80 TRP CB C 80 29.969 29.969 29.410 0.559 25439 17706 1 24 . 1 1 80 80 TRP H H 80 7.931 7.931 8.073 -0.142 25439 17707 1 24 . 1 1 81 81 LEU N N 81 119.674 119.674 118.620 1.054 25439 17708 1 24 . 1 1 81 81 LEU HA H 81 3.971 3.971 2.613 1.358 25439 17709 1 24 . 1 1 81 81 LEU CA C 81 58.294 58.294 57.651 0.643 25439 17710 1 24 . 1 1 81 81 LEU CB C 81 41.818 41.818 41.488 0.330 25439 17711 1 24 . 1 1 81 81 LEU H H 81 8.814 8.814 8.039 0.775 25439 17712 1 24 . 1 1 82 82 ILE N N 82 118.746 118.746 118.825 -0.079 25439 17713 1 24 . 1 1 82 82 ILE HA H 82 3.861 3.861 3.714 0.147 25439 17714 1 24 . 1 1 82 82 ILE CA C 82 62.734 62.734 62.755 -0.021 25439 17715 1 24 . 1 1 82 82 ILE CB C 82 36.236 36.236 36.389 -0.153 25439 17716 1 24 . 1 1 82 82 ILE H H 82 7.886 7.886 7.588 0.298 25439 17717 1 24 . 1 1 83 83 LYS N N 83 124.819 124.819 118.084 6.735 25439 17718 1 24 . 1 1 83 83 LYS HA H 83 3.911 3.911 4.106 -0.195 25439 17719 1 24 . 1 1 83 83 LYS CA C 83 59.643 59.643 56.845 2.798 25439 17720 1 24 . 1 1 83 83 LYS CB C 83 32.027 32.027 32.649 -0.622 25439 17721 1 24 . 1 1 83 83 LYS H H 83 8.224 8.224 7.609 0.615 25439 17722 1 24 . 1 1 84 84 GLU N N 84 115.404 115.404 117.755 -2.351 25439 17723 1 24 . 1 1 84 84 GLU HA H 84 3.841 3.841 4.294 -0.453 25439 17724 1 24 . 1 1 84 84 GLU CA C 84 55.582 55.582 55.179 0.403 25439 17725 1 24 . 1 1 84 84 GLU CB C 84 29.459 29.459 29.617 -0.158 25439 17726 1 24 . 1 1 84 84 GLU H H 84 8.138 8.138 7.315 0.823 25439 17727 1 24 . 1 1 85 85 LYS N N 85 111.563 111.563 119.057 -7.494 25439 17728 1 24 . 1 1 85 85 LYS HA H 85 3.820 3.820 4.017 -0.197 25439 17729 1 24 . 1 1 85 85 LYS CA C 85 57.890 57.890 57.247 0.643 25439 17730 1 24 . 1 1 85 85 LYS CB C 85 28.005 28.005 30.215 -2.210 25439 17731 1 24 . 1 1 85 85 LYS H H 85 7.719 7.719 7.823 -0.104 25439 17732 1 24 . 1 1 86 86 TYR N N 86 116.916 116.916 118.101 -1.185 25439 17733 1 24 . 1 1 86 86 TYR HA H 86 4.137 4.137 4.458 -0.321 25439 17734 1 24 . 1 1 86 86 TYR CA C 86 61.228 61.228 58.713 2.515 25439 17735 1 24 . 1 1 86 86 TYR CB C 86 39.535 39.535 40.511 -0.976 25439 17736 1 24 . 1 1 86 86 TYR H H 86 8.521 8.521 8.089 0.432 25439 17737 1 24 . 1 1 87 87 ALA N N 87 113.715 113.715 118.724 -5.009 25439 17738 1 24 . 1 1 87 87 ALA HA H 87 4.738 4.738 4.257 0.481 25439 17739 1 24 . 1 1 87 87 ALA CA C 87 49.121 49.121 50.448 -1.327 25439 17740 1 24 . 1 1 87 87 ALA CB C 87 23.295 23.295 21.319 1.976 25439 17741 1 24 . 1 1 87 87 ALA H H 87 6.959 6.959 7.615 -0.656 25439 17742 1 24 . 1 1 88 88 ASP N N 88 119.344 119.344 119.631 -0.287 25439 17743 1 24 . 1 1 88 88 ASP HA H 88 4.544 4.544 4.895 -0.351 25439 17744 1 24 . 1 1 88 88 ASP CA C 88 52.714 52.714 53.259 -0.545 25439 17745 1 24 . 1 1 88 88 ASP CB C 88 41.845 41.845 41.789 0.056 25439 17746 1 24 . 1 1 88 88 ASP H H 88 7.870 7.870 8.527 -0.657 25439 17747 1 24 . 1 1 89 89 LYS N N 89 125.312 125.312 126.233 -0.921 25439 17748 1 24 . 1 1 89 89 LYS HA H 89 3.834 3.834 4.042 -0.208 25439 17749 1 24 . 1 1 89 89 LYS CA C 89 59.409 59.409 59.759 -0.350 25439 17750 1 24 . 1 1 89 89 LYS CB C 89 32.848 32.848 32.564 0.284 25439 17751 1 24 . 1 1 89 89 LYS H H 89 8.467 8.467 8.733 -0.267 25439 17752 1 24 . 1 1 90 90 LEU N N 90 119.899 119.899 119.780 0.119 25439 17753 1 24 . 1 1 90 90 LEU HA H 90 4.023 4.023 4.000 0.023 25439 17754 1 24 . 1 1 90 90 LEU CA C 90 57.049 57.049 57.943 -0.894 25439 17755 1 24 . 1 1 90 90 LEU CB C 90 41.099 41.099 41.638 -0.539 25439 17756 1 24 . 1 1 90 90 LEU H H 90 8.076 8.076 7.947 0.129 25439 17757 1 24 . 1 1 91 91 LEU N N 91 123.148 123.148 119.987 3.161 25439 17758 1 24 . 1 1 91 91 LEU HA H 91 3.498 3.498 3.626 -0.128 25439 17759 1 24 . 1 1 91 91 LEU CA C 91 56.971 56.971 57.732 -0.761 25439 17760 1 24 . 1 1 91 91 LEU CB C 91 41.823 41.823 41.539 0.284 25439 17761 1 24 . 1 1 91 91 LEU H H 91 7.120 7.120 7.434 -0.314 25439 17762 1 24 . 1 1 92 92 ILE N N 92 116.780 116.780 118.387 -1.607 25439 17763 1 24 . 1 1 92 92 ILE HA H 92 3.265 3.265 3.650 -0.385 25439 17764 1 24 . 1 1 92 92 ILE CA C 92 65.178 65.178 65.260 -0.082 25439 17765 1 24 . 1 1 92 92 ILE CB C 92 38.209 38.209 37.528 0.681 25439 17766 1 24 . 1 1 92 92 ILE H H 92 7.384 7.384 8.019 -0.635 25439 17767 1 24 . 1 1 93 93 ALA N N 93 117.061 117.061 122.493 -5.432 25439 17768 1 24 . 1 1 93 93 ALA HA H 93 3.930 3.930 3.965 -0.035 25439 17769 1 24 . 1 1 93 93 ALA CA C 93 54.839 54.839 55.465 -0.626 25439 17770 1 24 . 1 1 93 93 ALA CB C 93 18.125 18.125 18.046 0.079 25439 17771 1 24 . 1 1 93 93 ALA H H 93 7.437 7.437 8.409 -0.972 25439 17772 1 24 . 1 1 94 94 LYS N N 94 116.036 116.036 118.664 -2.628 25439 17773 1 24 . 1 1 94 94 LYS HA H 94 3.803 3.803 3.426 0.377 25439 17774 1 24 . 1 1 94 94 LYS CA C 94 56.945 56.945 59.022 -2.077 25439 17775 1 24 . 1 1 94 94 LYS CB C 94 31.047 31.047 31.613 -0.566 25439 17776 1 24 . 1 1 94 94 LYS H H 94 7.012 7.012 7.757 -0.745 25439 17777 1 24 . 1 1 95 95 TRP N N 95 118.700 118.700 116.370 2.330 25439 17778 1 24 . 1 1 95 95 TRP HA H 95 4.814 4.814 4.444 0.370 25439 17779 1 24 . 1 1 95 95 TRP CA C 95 57.136 57.136 59.214 -2.078 25439 17780 1 24 . 1 1 95 95 TRP CB C 95 28.171 28.171 29.067 -0.896 25439 17781 1 24 . 1 1 95 95 TRP H H 95 7.611 7.611 7.574 0.037 25439 17782 1 24 . 1 1 96 96 ARG N N 96 113.031 113.031 115.705 -2.674 25439 17783 1 24 . 1 1 96 96 ARG HA H 96 4.233 4.233 4.308 -0.075 25439 17784 1 24 . 1 1 96 96 ARG CA C 96 56.234 56.234 57.742 -1.508 25439 17785 1 24 . 1 1 96 96 ARG CB C 96 30.245 30.245 30.771 -0.526 25439 17786 1 24 . 1 1 96 96 ARG H H 96 7.066 7.066 7.496 -0.430 25439 17787 1 24 . 1 1 97 97 LYS N N 97 123.252 123.252 119.480 3.772 25439 17788 1 24 . 1 1 97 97 LYS HA H 97 4.634 4.634 4.263 0.371 25439 17789 1 24 . 1 1 97 97 LYS CA C 97 54.937 54.937 56.979 -2.042 25439 17790 1 24 . 1 1 97 97 LYS CB C 97 34.166 34.166 32.845 1.321 25439 17791 1 24 . 1 1 97 97 LYS H H 97 8.467 8.467 8.046 0.421 25439 17792 1 24 . 1 1 98 98 THR N N 98 119.993 119.993 114.834 5.159 25439 17793 1 24 . 1 1 98 98 THR HA H 98 4.224 4.224 4.408 -0.184 25439 17794 1 24 . 1 1 98 98 THR CA C 98 64.670 64.670 62.620 2.050 25439 17795 1 24 . 1 1 98 98 THR CB C 98 69.200 69.200 69.301 -0.101 25439 17796 1 24 . 1 1 98 98 THR H H 98 8.329 8.329 8.273 0.056 25439 17797 1 24 . 1 1 99 99 GLY N N 99 116.645 116.645 113.756 2.889 25439 17798 1 24 . 1 1 99 99 GLY CA C 99 45.047 45.047 44.703 0.344 25439 17799 1 24 . 1 1 99 99 GLY H H 99 9.273 9.273 8.704 0.569 25439 17800 1 24 . 1 1 100 100 TYR N N 100 120.784 120.784 120.622 0.162 25439 17801 1 24 . 1 1 100 100 TYR HA H 100 4.704 4.704 4.743 -0.039 25439 17802 1 24 . 1 1 100 100 TYR CA C 100 57.697 57.697 56.278 1.419 25439 17803 1 24 . 1 1 100 100 TYR CB C 100 39.413 39.413 37.281 2.132 25439 17804 1 24 . 1 1 100 100 TYR H H 100 8.457 8.457 8.076 0.381 25439 17805 1 24 . 1 1 101 101 GLU N N 101 119.482 119.482 122.216 -2.734 25439 17806 1 24 . 1 1 101 101 GLU HA H 101 4.601 4.601 4.522 0.079 25439 17807 1 24 . 1 1 101 101 GLU CA C 101 61.207 61.207 57.105 4.102 25439 17808 1 24 . 1 1 101 101 GLU CB C 101 29.648 29.648 30.570 -0.922 25439 17809 1 24 . 1 1 101 101 GLU H H 101 9.836 9.836 8.578 1.258 25439 17810 1 24 . 1 1 102 102 LYS N N 102 115.179 115.179 120.847 -5.668 25439 17811 1 24 . 1 1 102 102 LYS HA H 102 4.295 4.295 4.700 -0.405 25439 17812 1 24 . 1 1 102 102 LYS CA C 102 54.207 54.207 55.524 -1.317 25439 17813 1 24 . 1 1 102 102 LYS CB C 102 32.489 32.489 32.785 -0.296 25439 17814 1 24 . 1 1 102 102 LYS H H 102 8.291 8.291 7.941 0.350 25439 17815 1 24 . 1 1 103 103 LEU N N 103 119.637 119.637 117.746 1.891 25439 17816 1 24 . 1 1 103 103 LEU HA H 103 4.385 4.385 5.090 -0.705 25439 17817 1 24 . 1 1 103 103 LEU CA C 103 56.549 56.549 53.812 2.737 25439 17818 1 24 . 1 1 103 103 LEU CB C 103 43.864 43.864 44.711 -0.847 25439 17819 1 24 . 1 1 103 103 LEU H H 103 7.642 7.642 7.877 -0.235 25439 17820 1 24 . 1 1 104 104 CYS N N 104 129.651 129.651 116.101 13.550 25439 17821 1 24 . 1 1 104 104 CYS HA H 104 4.498 4.498 5.016 -0.518 25439 17822 1 24 . 1 1 104 104 CYS CA C 104 58.076 58.076 58.447 -0.370 25439 17823 1 24 . 1 1 104 104 CYS CB C 104 32.301 32.301 28.335 3.966 25439 17824 1 24 . 1 1 104 104 CYS H H 104 8.638 8.638 8.804 -0.166 25439 17825 1 24 . 1 1 105 105 CYS N N 105 120.206 120.206 118.389 1.817 25439 17826 1 24 . 1 1 105 105 CYS HA H 105 4.806 4.806 4.859 -0.053 25439 17827 1 24 . 1 1 105 105 CYS CA C 105 58.271 58.271 56.923 1.348 25439 17828 1 24 . 1 1 105 105 CYS CB C 105 32.062 32.062 30.324 1.738 25439 17829 1 24 . 1 1 105 105 CYS H H 105 8.158 8.158 7.968 0.190 25439 17830 1 24 . 1 1 106 106 LEU N N 106 115.513 115.513 120.699 -5.186 25439 17831 1 24 . 1 1 106 106 LEU HA H 106 4.054 4.054 4.286 -0.232 25439 17832 1 24 . 1 1 106 106 LEU CA C 106 56.110 56.110 56.852 -0.742 25439 17833 1 24 . 1 1 106 106 LEU CB C 106 41.227 41.227 42.269 -1.042 25439 17834 1 24 . 1 1 106 106 LEU H H 106 8.466 8.466 8.374 0.092 25439 17835 1 24 . 1 1 107 107 ARG N N 107 122.711 122.711 119.357 3.354 25439 17836 1 24 . 1 1 107 107 ARG HA H 107 3.993 3.993 4.343 -0.350 25439 17837 1 24 . 1 1 107 107 ARG CA C 107 58.311 58.311 56.267 2.044 25439 17838 1 24 . 1 1 107 107 ARG CB C 107 28.965 28.965 29.591 -0.626 25439 17839 1 24 . 1 1 107 107 ARG H H 107 8.131 8.131 8.225 -0.094 25439 17840 1 24 . 1 1 108 108 CYS N N 108 119.055 119.055 118.025 1.030 25439 17841 1 24 . 1 1 108 108 CYS HA H 108 4.101 4.101 4.725 -0.624 25439 17842 1 24 . 1 1 108 108 CYS CA C 108 63.936 63.936 57.415 6.521 25439 17843 1 24 . 1 1 108 108 CYS CB C 108 30.934 30.934 27.352 3.582 25439 17844 1 24 . 1 1 108 108 CYS H H 108 8.010 8.010 7.902 0.108 25439 17845 1 24 . 1 1 109 109 ILE N N 109 107.315 107.315 113.503 -6.188 25439 17846 1 24 . 1 1 109 109 ILE HA H 109 4.684 4.684 4.488 0.196 25439 17847 1 24 . 1 1 109 109 ILE CA C 109 60.483 60.483 60.952 -0.469 25439 17848 1 24 . 1 1 109 109 ILE CB C 109 38.320 38.320 38.968 -0.648 25439 17849 1 24 . 1 1 109 109 ILE H H 109 7.105 7.105 7.487 -0.382 25439 17850 1 24 . 1 1 110 110 GLN N N 110 122.468 122.468 121.343 1.125 25439 17851 1 24 . 1 1 110 110 GLN HA H 110 4.268 4.268 4.626 -0.358 25439 17852 1 24 . 1 1 110 110 GLN CA C 110 55.981 55.981 55.131 0.850 25439 17853 1 24 . 1 1 110 110 GLN CB C 110 29.656 29.656 31.244 -1.588 25439 17854 1 24 . 1 1 110 110 GLN H H 110 7.156 7.156 7.976 -0.820 25439 17855 1 24 . 1 1 111 111 LYS N N 111 124.650 124.650 121.533 3.117 25439 17856 1 24 . 1 1 111 111 LYS HA H 111 4.246 4.246 4.959 -0.713 25439 17857 1 24 . 1 1 111 111 LYS CA C 111 56.546 56.546 54.539 2.006 25439 17858 1 24 . 1 1 111 111 LYS CB C 111 32.846 32.846 35.056 -2.210 25439 17859 1 24 . 1 1 111 111 LYS H H 111 8.522 8.522 8.408 0.114 25439 17860 1 24 . 1 1 112 112 ASN N N 112 120.972 120.972 116.180 4.792 25439 17861 1 24 . 1 1 112 112 ASN HA H 112 4.778 4.778 4.270 0.508 25439 17862 1 24 . 1 1 112 112 ASN CA C 112 52.902 52.902 55.898 -2.996 25439 17863 1 24 . 1 1 112 112 ASN CB C 112 39.328 39.328 37.597 1.731 25439 17864 1 24 . 1 1 112 112 ASN H H 112 8.360 8.360 8.815 -0.455 25439 17865 1 24 . 1 1 113 113 GLU N N 113 121.710 121.710 123.748 -2.038 25439 17866 1 24 . 1 1 113 113 GLU HA H 113 4.248 4.248 4.567 -0.319 25439 17867 1 24 . 1 1 113 113 GLU CA C 113 58.611 58.611 55.757 2.854 25439 17868 1 24 . 1 1 113 113 GLU CB C 113 29.590 29.590 31.274 -1.684 25439 17869 1 24 . 1 1 113 113 GLU H H 113 9.023 9.023 8.431 0.592 25439 17870 1 24 . 1 1 114 114 THR N N 114 112.186 112.186 115.893 -3.707 25439 17871 1 24 . 1 1 114 114 THR HA H 114 4.321 4.321 4.947 -0.626 25439 17872 1 24 . 1 1 114 114 THR CA C 114 63.161 63.161 60.371 2.790 25439 17873 1 24 . 1 1 114 114 THR CB C 114 69.481 69.481 70.600 -1.119 25439 17874 1 24 . 1 1 114 114 THR H H 114 8.112 8.112 8.194 -0.082 25439 17875 1 24 . 1 1 115 115 ASN N N 115 119.112 119.112 117.761 1.351 25439 17876 1 24 . 1 1 115 115 ASN HA H 115 4.829 4.829 4.755 0.074 25439 17877 1 24 . 1 1 115 115 ASN CA C 115 53.110 53.110 53.456 -0.346 25439 17878 1 24 . 1 1 115 115 ASN CB C 115 38.659 38.659 39.520 -0.861 25439 17879 1 24 . 1 1 115 115 ASN H H 115 8.047 8.047 8.446 -0.399 25439 17880 1 24 . 1 1 116 116 ASN N N 116 117.175 117.175 119.146 -1.971 25439 17881 1 24 . 1 1 116 116 ASN HA H 116 4.615 4.615 4.825 -0.210 25439 17882 1 24 . 1 1 116 116 ASN CA C 116 53.965 53.965 52.561 1.404 25439 17883 1 24 . 1 1 116 116 ASN CB C 116 38.173 38.173 39.050 -0.877 25439 17884 1 24 . 1 1 116 116 ASN H H 116 8.364 8.364 8.316 0.048 25439 17885 1 24 . 1 1 117 117 GLY N N 117 107.294 107.294 111.656 -4.362 25439 17886 1 24 . 1 1 117 117 GLY CA C 117 45.882 45.882 44.621 1.261 25439 17887 1 24 . 1 1 117 117 GLY H H 117 8.264 8.264 8.484 -0.220 25439 17888 1 24 . 1 1 118 118 SER N N 118 115.475 115.475 115.216 0.259 25439 17889 1 24 . 1 1 118 118 SER HA H 118 4.586 4.586 4.657 -0.071 25439 17890 1 24 . 1 1 118 118 SER CA C 118 57.974 57.974 57.122 0.852 25439 17891 1 24 . 1 1 118 118 SER CB C 118 64.479 64.479 65.522 -1.043 25439 17892 1 24 . 1 1 118 118 SER H H 118 7.905 7.905 8.266 -0.361 25439 17893 1 24 . 1 1 119 119 THR N N 119 111.360 111.360 116.009 -4.649 25439 17894 1 24 . 1 1 119 119 THR HA H 119 4.450 4.450 4.328 0.122 25439 17895 1 24 . 1 1 119 119 THR CA C 119 61.215 61.215 62.527 -1.312 25439 17896 1 24 . 1 1 119 119 THR CB C 119 70.569 70.569 69.645 0.923 25439 17897 1 24 . 1 1 119 119 THR H H 119 8.044 8.044 8.086 -0.042 25439 17898 1 24 . 1 1 120 120 CYS N N 120 122.708 122.708 120.879 1.829 25439 17899 1 24 . 1 1 120 120 CYS HA H 120 4.255 4.255 4.612 -0.357 25439 17900 1 24 . 1 1 120 120 CYS CA C 120 61.469 61.469 58.032 3.437 25439 17901 1 24 . 1 1 120 120 CYS CB C 120 30.892 30.892 28.926 1.966 25439 17902 1 24 . 1 1 120 120 CYS H H 120 8.045 8.045 8.498 -0.453 25439 17903 1 24 . 1 1 121 121 ILE N N 121 132.463 132.463 124.018 8.445 25439 17904 1 24 . 1 1 121 121 ILE HA H 121 4.025 4.025 3.806 0.219 25439 17905 1 24 . 1 1 121 121 ILE CA C 121 63.353 63.353 63.240 0.113 25439 17906 1 24 . 1 1 121 121 ILE CB C 121 38.222 38.222 37.551 0.671 25439 17907 1 24 . 1 1 121 121 ILE H H 121 8.237 8.237 8.404 -0.167 25439 17908 1 24 . 1 1 122 122 CYS N N 122 123.931 123.931 117.713 6.218 25439 17909 1 24 . 1 1 122 122 CYS HA H 122 4.233 4.233 4.171 0.062 25439 17910 1 24 . 1 1 122 122 CYS CA C 122 60.230 60.230 60.490 -0.260 25439 17911 1 24 . 1 1 122 122 CYS CB C 122 30.602 30.602 25.985 4.617 25439 17912 1 24 . 1 1 122 122 CYS H H 122 9.355 9.355 7.537 1.818 25439 17913 1 24 . 1 1 123 123 ARG N N 123 119.561 119.561 121.280 -1.719 25439 17914 1 24 . 1 1 123 123 ARG HA H 123 4.150 4.150 4.276 -0.126 25439 17915 1 24 . 1 1 123 123 ARG CA C 123 53.177 53.177 58.220 -5.043 25439 17916 1 24 . 1 1 123 123 ARG CB C 123 27.961 27.961 30.628 -2.667 25439 17917 1 24 . 1 1 123 123 ARG H H 123 7.677 7.677 7.610 0.067 25439 17918 1 24 . 1 1 124 124 VAL N N 124 122.794 122.794 121.087 1.707 25439 17919 1 24 . 1 1 124 124 VAL HA H 124 4.081 4.081 4.108 -0.027 25439 17920 1 24 . 1 1 124 124 VAL CA C 124 60.647 60.647 60.980 -0.333 25439 17921 1 24 . 1 1 124 124 VAL CB C 124 32.857 32.857 31.805 1.052 25439 17922 1 24 . 1 1 124 124 VAL H H 124 7.578 7.578 7.428 0.150 25439 17923 1 24 . 1 1 125 125 PRO HA H 125 4.263 4.263 4.555 -0.292 25439 17924 1 24 . 1 1 125 125 PRO CA C 125 63.268 63.268 62.628 0.640 25439 17925 1 24 . 1 1 125 125 PRO CB C 125 32.379 32.379 32.828 -0.449 25439 17926 1 24 . 1 1 126 126 ARG N N 126 128.350 128.350 119.323 9.027 25439 17927 1 24 . 1 1 126 126 ARG HA H 126 3.912 3.912 4.125 -0.213 25439 17928 1 24 . 1 1 126 126 ARG CA C 126 59.653 59.653 59.449 0.204 25439 17929 1 24 . 1 1 126 126 ARG CB C 126 29.339 29.339 29.204 0.135 25439 17930 1 24 . 1 1 126 126 ARG H H 126 9.534 9.534 8.798 0.736 25439 17931 1 24 . 1 1 127 127 ALA N N 127 119.169 119.169 122.784 -3.615 25439 17932 1 24 . 1 1 127 127 ALA HA H 127 4.192 4.192 4.027 0.166 25439 17933 1 24 . 1 1 127 127 ALA CA C 127 55.227 55.227 55.487 -0.260 25439 17934 1 24 . 1 1 127 127 ALA CB C 127 18.363 18.363 17.955 0.408 25439 17935 1 24 . 1 1 127 127 ALA H H 127 9.263 9.263 8.517 0.746 25439 17936 1 24 . 1 1 128 128 GLN N N 128 117.345 117.345 118.286 -0.941 25439 17937 1 24 . 1 1 128 128 GLN HA H 128 4.209 4.209 4.131 0.078 25439 17938 1 24 . 1 1 128 128 GLN CA C 128 58.506 58.506 58.797 -0.291 25439 17939 1 24 . 1 1 128 128 GLN CB C 128 28.220 28.220 28.265 -0.045 25439 17940 1 24 . 1 1 128 128 GLN H H 128 7.448 7.448 8.346 -0.898 25439 17941 1 24 . 1 1 129 129 LEU N N 129 120.561 120.561 120.571 -0.010 25439 17942 1 24 . 1 1 129 129 LEU HA H 129 4.088 4.088 4.284 -0.196 25439 17943 1 24 . 1 1 129 129 LEU CA C 129 57.952 57.952 57.732 0.220 25439 17944 1 24 . 1 1 129 129 LEU CB C 129 41.817 41.817 41.969 -0.152 25439 17945 1 24 . 1 1 129 129 LEU H H 129 7.622 7.622 7.667 -0.045 25439 17946 1 24 . 1 1 130 130 GLU N N 130 119.122 119.122 118.867 0.255 25439 17947 1 24 . 1 1 130 130 GLU HA H 130 3.956 3.956 3.898 0.058 25439 17948 1 24 . 1 1 130 130 GLU CA C 130 59.353 59.353 59.858 -0.505 25439 17949 1 24 . 1 1 130 130 GLU CB C 130 29.337 29.337 29.391 -0.054 25439 17950 1 24 . 1 1 130 130 GLU H H 130 8.656 8.656 8.566 0.090 25439 17951 1 24 . 1 1 131 131 GLU N N 131 121.469 121.469 119.133 2.336 25439 17952 1 24 . 1 1 131 131 GLU HA H 131 4.163 4.163 4.012 0.151 25439 17953 1 24 . 1 1 131 131 GLU CA C 131 59.288 59.288 59.688 -0.400 25439 17954 1 24 . 1 1 131 131 GLU CB C 131 29.422 29.422 29.313 0.109 25439 17955 1 24 . 1 1 131 131 GLU H H 131 7.922 7.922 7.866 0.056 25439 17956 1 24 . 1 1 132 132 GLU N N 132 119.241 119.241 119.312 -0.071 25439 17957 1 24 . 1 1 132 132 GLU HA H 132 3.998 3.998 3.973 0.025 25439 17958 1 24 . 1 1 132 132 GLU CA C 132 59.327 59.327 59.299 0.028 25439 17959 1 24 . 1 1 132 132 GLU CB C 132 29.421 29.421 29.270 0.151 25439 17960 1 24 . 1 1 132 132 GLU H H 132 8.099 8.099 7.588 0.511 25439 17961 1 24 . 1 1 133 133 ALA N N 133 121.302 121.302 121.788 -0.486 25439 17962 1 24 . 1 1 133 133 ALA HA H 133 4.053 4.053 4.069 -0.016 25439 17963 1 24 . 1 1 133 133 ALA CA C 133 54.973 54.973 55.079 -0.106 25439 17964 1 24 . 1 1 133 133 ALA CB C 133 18.154 18.154 18.335 -0.181 25439 17965 1 24 . 1 1 133 133 ALA H H 133 7.795 7.795 7.565 0.230 25439 17966 1 24 . 1 1 134 134 ARG N N 134 118.757 118.757 118.780 -0.023 25439 17967 1 24 . 1 1 134 134 ARG HA H 134 4.143 4.143 4.084 0.059 25439 17968 1 24 . 1 1 134 134 ARG CA C 134 59.438 59.438 58.634 0.804 25439 17969 1 24 . 1 1 134 134 ARG CB C 134 30.148 30.148 29.885 0.263 25439 17970 1 24 . 1 1 134 134 ARG H H 134 8.145 8.145 7.943 0.202 25439 17971 1 24 . 1 1 135 135 LYS N N 135 119.496 119.496 119.403 0.093 25439 17972 1 24 . 1 1 135 135 LYS HA H 135 4.073 4.073 4.161 -0.088 25439 17973 1 24 . 1 1 135 135 LYS CA C 135 59.327 59.327 58.760 0.567 25439 17974 1 24 . 1 1 135 135 LYS CB C 135 32.539 32.539 32.583 -0.044 25439 17975 1 24 . 1 1 135 135 LYS H H 135 8.036 8.036 7.836 0.200 25439 17976 1 24 . 1 1 136 136 LYS N N 136 116.645 116.645 118.292 -1.647 25439 17977 1 24 . 1 1 136 136 LYS HA H 136 4.362 4.362 4.387 -0.025 25439 17978 1 24 . 1 1 136 136 LYS CA C 136 56.575 56.575 55.195 1.380 25439 17979 1 24 . 1 1 136 136 LYS CB C 136 33.629 33.629 32.446 1.183 25439 17980 1 24 . 1 1 136 136 LYS H H 136 7.682 7.682 7.631 0.051 25439 17981 1 24 . 1 1 137 137 GLY N N 137 109.349 109.349 109.385 -0.036 25439 17982 1 24 . 1 1 137 137 GLY CA C 137 46.358 46.358 46.287 0.071 25439 17983 1 24 . 1 1 137 137 GLY H H 137 8.064 8.064 7.704 0.360 25439 17984 1 24 . 1 1 138 138 THR N N 138 112.870 112.870 113.629 -0.759 25439 17985 1 24 . 1 1 138 138 THR HA H 138 4.735 4.735 4.654 0.081 25439 17986 1 24 . 1 1 138 138 THR CA C 138 59.308 59.308 60.484 -1.176 25439 17987 1 24 . 1 1 138 138 THR CB C 138 70.755 70.755 70.695 0.060 25439 17988 1 24 . 1 1 138 138 THR H H 138 8.111 8.111 8.153 -0.042 25439 17989 1 24 . 1 1 139 139 GLN N N 139 118.177 118.177 119.872 -1.695 25439 17990 1 24 . 1 1 139 139 GLN HA H 139 4.609 4.609 4.675 -0.066 25439 17991 1 24 . 1 1 139 139 GLN CA C 139 54.435 54.435 54.957 -0.522 25439 17992 1 24 . 1 1 139 139 GLN CB C 139 30.777 30.777 30.978 -0.201 25439 17993 1 24 . 1 1 139 139 GLN H H 139 8.227 8.227 8.339 -0.112 25439 17994 1 24 . 1 1 140 140 VAL N N 140 123.601 123.601 120.325 3.276 25439 17995 1 24 . 1 1 140 140 VAL HA H 140 3.790 3.790 4.403 -0.613 25439 17996 1 24 . 1 1 140 140 VAL CA C 140 63.934 63.934 61.748 2.186 25439 17997 1 24 . 1 1 140 140 VAL CB C 140 32.154 32.154 33.353 -1.200 25439 17998 1 24 . 1 1 140 140 VAL H H 140 8.839 8.839 8.034 0.805 25439 17999 1 24 . 1 1 141 141 SER HA H 141 4.524 4.524 4.521 0.003 25439 18000 1 24 . 1 1 141 141 SER CA C 141 57.841 57.841 58.111 -0.270 25439 18001 1 24 . 1 1 141 141 SER CB C 141 64.174 64.174 63.608 0.566 25439 18002 1 24 . 1 1 142 142 PHE N N 142 123.726 123.726 124.916 -1.190 25439 18003 1 24 . 1 1 142 142 PHE HA H 142 4.458 4.458 4.785 -0.327 25439 18004 1 24 . 1 1 142 142 PHE CA C 142 58.673 58.673 57.829 0.844 25439 18005 1 24 . 1 1 142 142 PHE CB C 142 40.055 40.055 41.371 -1.316 25439 18006 1 24 . 1 1 142 142 PHE H H 142 7.534 7.534 8.170 -0.636 25439 18007 1 24 . 1 1 143 143 HIS N N 143 126.548 126.548 119.256 7.292 25439 18008 1 24 . 1 1 143 143 HIS HA H 143 4.336 4.336 4.357 -0.021 25439 18009 1 24 . 1 1 143 143 HIS CA C 143 56.837 56.837 55.913 0.925 25439 18010 1 24 . 1 1 143 143 HIS CB C 143 31.949 31.949 32.469 -0.520 25439 18011 1 24 . 1 1 143 143 HIS H H 143 8.308 8.308 7.303 1.005 25439 18012 1 24 . 1 1 144 144 GLN N N 144 115.094 115.094 116.067 -0.973 25439 18013 1 24 . 1 1 144 144 GLN HA H 144 4.433 4.433 4.593 -0.160 25439 18014 1 24 . 1 1 144 144 GLN CA C 144 54.210 54.210 53.253 0.957 25439 18015 1 24 . 1 1 144 144 GLN CB C 144 32.925 32.925 31.918 1.007 25439 18016 1 24 . 1 1 144 144 GLN H H 144 7.203 7.203 6.984 0.219 25439 18017 1 24 . 1 1 145 145 CYS N N 145 123.088 123.088 118.767 4.321 25439 18018 1 24 . 1 1 145 145 CYS HA H 145 4.961 4.961 5.025 -0.064 25439 18019 1 24 . 1 1 145 145 CYS CA C 145 57.978 57.978 56.997 0.981 25439 18020 1 24 . 1 1 145 145 CYS CB C 145 33.555 33.555 30.040 3.515 25439 18021 1 24 . 1 1 145 145 CYS H H 145 8.668 8.668 8.569 0.099 25439 18022 1 24 . 1 1 146 146 VAL N N 146 113.265 113.265 121.440 -8.175 25439 18023 1 24 . 1 1 146 146 VAL HA H 146 4.238 4.238 4.197 0.041 25439 18024 1 24 . 1 1 146 146 VAL CA C 146 64.001 64.001 65.280 -1.279 25439 18025 1 24 . 1 1 146 146 VAL CB C 146 32.157 32.157 32.190 -0.033 25439 18026 1 24 . 1 1 146 146 VAL H H 146 8.198 8.198 8.513 -0.315 25439 18027 1 24 . 1 1 147 147 HIS N N 147 120.556 120.556 118.266 2.290 25439 18028 1 24 . 1 1 147 147 HIS HA H 147 4.604 4.604 4.390 0.214 25439 18029 1 24 . 1 1 147 147 HIS CA C 147 58.708 58.708 58.648 0.060 25439 18030 1 24 . 1 1 147 147 HIS CB C 147 32.204 32.204 29.353 2.851 25439 18031 1 24 . 1 1 147 147 HIS H H 147 7.151 7.151 8.374 -1.223 25439 18032 1 24 . 1 1 148 148 CYS N N 148 112.110 112.110 112.250 -0.140 25439 18033 1 24 . 1 1 148 148 CYS HA H 148 4.889 4.889 4.714 0.175 25439 18034 1 24 . 1 1 148 148 CYS CA C 148 57.952 57.952 55.712 2.240 25439 18035 1 24 . 1 1 148 148 CYS CB C 148 32.956 32.956 30.211 2.745 25439 18036 1 24 . 1 1 148 148 CYS H H 148 7.413 7.413 7.252 0.161 25439 18037 1 24 . 1 1 149 149 GLY N N 149 112.797 112.797 108.246 4.551 25439 18038 1 24 . 1 1 149 149 GLY CA C 149 45.327 45.327 44.344 0.983 25439 18039 1 24 . 1 1 149 149 GLY H H 149 6.949 6.949 8.272 -1.323 25439 18040 1 24 . 1 1 150 150 CYS N N 150 127.277 127.277 120.525 6.752 25439 18041 1 24 . 1 1 150 150 CYS HA H 150 3.932 3.932 4.546 -0.614 25439 18042 1 24 . 1 1 150 150 CYS CA C 150 61.362 61.362 57.301 4.061 25439 18043 1 24 . 1 1 150 150 CYS CB C 150 30.632 30.632 29.881 0.751 25439 18044 1 24 . 1 1 150 150 CYS H H 150 8.240 8.240 7.175 1.065 25439 18045 1 24 . 1 1 151 151 ARG N N 151 125.476 125.476 127.322 -1.846 25439 18046 1 24 . 1 1 151 151 ARG HA H 151 4.775 4.775 4.248 0.527 25439 18047 1 24 . 1 1 151 151 ARG CA C 151 56.164 56.164 55.178 0.986 25439 18048 1 24 . 1 1 151 151 ARG CB C 151 30.354 30.354 29.466 0.888 25439 18049 1 24 . 1 1 151 151 ARG H H 151 8.492 8.492 8.672 -0.180 25439 18050 1 24 . 1 1 152 152 GLY N N 152 117.275 117.275 108.365 8.910 25439 18051 1 24 . 1 1 152 152 GLY CA C 152 45.523 45.523 45.460 0.063 25439 18052 1 24 . 1 1 152 152 GLY H H 152 9.812 9.812 7.657 2.155 25439 18053 1 24 . 1 1 153 153 CYS N N 153 126.187 126.187 119.047 7.140 25439 18054 1 24 . 1 1 153 153 CYS HA H 153 4.842 4.842 4.807 0.035 25439 18055 1 24 . 1 1 153 153 CYS CA C 153 57.130 57.130 55.888 1.242 25439 18056 1 24 . 1 1 153 153 CYS CB C 153 31.368 31.368 27.869 3.499 25439 18057 1 24 . 1 1 153 153 CYS H H 153 8.930 8.930 8.231 0.699 25439 18058 1 24 . 1 1 154 154 ALA N N 154 125.869 125.869 126.171 -0.302 25439 18059 1 24 . 1 1 154 154 ALA HA H 154 4.159 4.159 4.913 -0.754 25439 18060 1 24 . 1 1 154 154 ALA CA C 154 53.187 53.187 51.755 1.432 25439 18061 1 24 . 1 1 154 154 ALA CB C 154 18.937 18.937 21.561 -2.623 25439 18062 1 24 . 1 1 154 154 ALA H H 154 8.616 8.616 8.304 0.312 25439 18063 1 24 . 1 1 155 155 SER N N 155 116.724 116.724 117.057 -0.333 25439 18064 1 24 . 1 1 155 155 SER HA H 155 4.283 4.283 4.492 -0.209 25439 18065 1 24 . 1 1 155 155 SER CA C 155 60.136 60.136 60.087 0.050 25439 18066 1 24 . 1 1 155 155 SER CB C 155 63.575 63.575 64.132 -0.557 25439 18067 1 24 . 1 1 155 155 SER H H 155 9.358 9.358 8.764 0.594 25439 18068 1 24 . 1 1 156 156 THR N N 156 111.893 111.893 116.412 -4.519 25439 18069 1 24 . 1 1 156 156 THR HA H 156 4.358 4.358 4.091 0.267 25439 18070 1 24 . 1 1 156 156 THR CA C 156 61.264 61.264 65.069 -3.805 25439 18071 1 24 . 1 1 156 156 THR CB C 156 69.999 69.999 68.958 1.041 25439 18072 1 24 . 1 1 156 156 THR H H 156 7.638 7.638 8.242 -0.604 25439 18073 1 25 . 1 1 0 0 GLY CA C 0 43.750 43.750 44.422 -0.672 25439 18074 1 25 . 1 1 1 1 SER N N 1 117.201 117.201 116.387 0.814 25439 18075 1 25 . 1 1 1 1 SER HA H 1 4.809 4.809 4.554 0.255 25439 18076 1 25 . 1 1 1 1 SER CA C 1 56.525 56.525 57.010 -0.484 25439 18077 1 25 . 1 1 1 1 SER CB C 1 63.385 63.385 64.527 -1.142 25439 18078 1 25 . 1 1 1 1 SER H H 1 8.381 8.381 8.263 0.118 25439 18079 1 25 . 1 1 2 2 PRO HA H 2 4.468 4.468 4.548 -0.080 25439 18080 1 25 . 1 1 2 2 PRO CA C 2 63.292 63.292 62.674 0.618 25439 18081 1 25 . 1 1 2 2 PRO CB C 2 32.174 32.174 32.389 -0.215 25439 18082 1 25 . 1 1 3 3 ARG N N 3 121.649 121.649 120.190 1.459 25439 18083 1 25 . 1 1 3 3 ARG HA H 3 4.324 4.324 4.689 -0.365 25439 18084 1 25 . 1 1 3 3 ARG CA C 3 56.226 56.226 55.791 0.435 25439 18085 1 25 . 1 1 3 3 ARG CB C 3 30.732 30.732 31.526 -0.794 25439 18086 1 25 . 1 1 3 3 ARG H H 3 8.428 8.428 8.449 -0.021 25439 18087 1 25 . 1 1 4 4 ILE N N 4 122.500 122.500 125.876 -3.376 25439 18088 1 25 . 1 1 4 4 ILE HA H 4 4.181 4.181 4.292 -0.111 25439 18089 1 25 . 1 1 4 4 ILE CA C 4 60.943 60.943 61.292 -0.349 25439 18090 1 25 . 1 1 4 4 ILE CB C 4 38.751 38.751 38.055 0.696 25439 18091 1 25 . 1 1 4 4 ILE H H 4 8.165 8.165 8.613 -0.448 25439 18092 1 25 . 1 1 5 5 LYS N N 5 126.237 126.237 128.168 -1.931 25439 18093 1 25 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.617 -0.215 25439 18094 1 25 . 1 1 5 5 LYS CA C 5 56.422 56.422 56.250 0.172 25439 18095 1 25 . 1 1 5 5 LYS CB C 5 33.130 33.130 32.868 0.262 25439 18096 1 25 . 1 1 5 5 LYS H H 5 8.500 8.500 8.687 -0.187 25439 18097 1 25 . 1 1 6 6 THR N N 6 116.495 116.495 118.731 -2.236 25439 18098 1 25 . 1 1 6 6 THR HA H 6 4.323 4.323 4.622 -0.299 25439 18099 1 25 . 1 1 6 6 THR CA C 6 61.918 61.918 62.432 -0.514 25439 18100 1 25 . 1 1 6 6 THR CB C 6 69.963 69.963 69.374 0.589 25439 18101 1 25 . 1 1 6 6 THR H H 6 8.194 8.194 8.433 -0.239 25439 18102 1 25 . 1 1 7 7 ARG N N 7 124.128 124.128 122.031 2.097 25439 18103 1 25 . 1 1 7 7 ARG HA H 7 4.396 4.396 4.565 -0.169 25439 18104 1 25 . 1 1 7 7 ARG CA C 7 56.128 56.128 55.693 0.435 25439 18105 1 25 . 1 1 7 7 ARG CB C 7 30.953 30.953 30.925 0.028 25439 18106 1 25 . 1 1 7 7 ARG H H 7 8.458 8.458 8.125 0.333 25439 18107 1 25 . 1 1 8 8 ARG N N 8 123.384 123.384 120.065 3.319 25439 18108 1 25 . 1 1 8 8 ARG HA H 8 4.424 4.424 4.553 -0.129 25439 18109 1 25 . 1 1 8 8 ARG CA C 8 56.011 56.011 55.414 0.597 25439 18110 1 25 . 1 1 8 8 ARG CB C 8 31.058 31.058 31.622 -0.564 25439 18111 1 25 . 1 1 8 8 ARG H H 8 8.526 8.526 7.884 0.642 25439 18112 1 25 . 1 1 9 9 SER N N 9 118.446 118.446 115.226 3.220 25439 18113 1 25 . 1 1 9 9 SER HA H 9 4.473 4.473 5.086 -0.613 25439 18114 1 25 . 1 1 9 9 SER CA C 9 58.568 58.568 57.750 0.818 25439 18115 1 25 . 1 1 9 9 SER CB C 9 63.986 63.986 65.805 -1.819 25439 18116 1 25 . 1 1 9 9 SER H H 9 8.450 8.450 8.221 0.229 25439 18117 1 25 . 1 1 10 10 LYS N N 10 124.117 124.117 121.048 3.069 25439 18118 1 25 . 1 1 10 10 LYS HA H 10 4.673 4.673 4.812 -0.139 25439 18119 1 25 . 1 1 10 10 LYS CA C 10 54.412 54.412 54.303 0.108 25439 18120 1 25 . 1 1 10 10 LYS CB C 10 32.693 32.693 33.055 -0.362 25439 18121 1 25 . 1 1 10 10 LYS H H 10 8.426 8.426 8.504 -0.078 25439 18122 1 25 . 1 1 11 11 PRO HA H 11 4.360 4.360 4.387 -0.027 25439 18123 1 25 . 1 1 11 11 PRO CA C 11 62.861 62.861 62.349 0.512 25439 18124 1 25 . 1 1 11 11 PRO CB C 11 32.106 32.106 32.275 -0.169 25439 18125 1 25 . 1 1 12 12 ALA N N 12 124.420 124.420 122.756 1.664 25439 18126 1 25 . 1 1 12 12 ALA HA H 12 2.889 2.889 3.056 -0.167 25439 18127 1 25 . 1 1 12 12 ALA CA C 12 49.735 49.735 50.028 -0.293 25439 18128 1 25 . 1 1 12 12 ALA CB C 12 18.066 18.066 16.958 1.108 25439 18129 1 25 . 1 1 12 12 ALA H H 12 7.890 7.890 7.732 0.158 25439 18130 1 25 . 1 1 13 13 PRO HA H 13 4.207 4.207 4.444 -0.237 25439 18131 1 25 . 1 1 13 13 PRO CA C 13 62.111 62.111 61.746 0.365 25439 18132 1 25 . 1 1 13 13 PRO CB C 13 32.582 32.582 32.378 0.204 25439 18133 1 25 . 1 1 14 14 ASP N N 14 119.535 119.535 120.476 -0.941 25439 18134 1 25 . 1 1 14 14 ASP HA H 14 4.379 4.379 4.295 0.084 25439 18135 1 25 . 1 1 14 14 ASP CA C 14 56.427 56.427 56.705 -0.278 25439 18136 1 25 . 1 1 14 14 ASP CB C 14 41.177 41.177 40.444 0.733 25439 18137 1 25 . 1 1 14 14 ASP H H 14 8.206 8.206 8.765 -0.559 25439 18138 1 25 . 1 1 15 15 GLY N N 15 113.273 113.273 108.086 5.187 25439 18139 1 25 . 1 1 15 15 GLY CA C 15 45.146 45.146 46.772 -1.626 25439 18140 1 25 . 1 1 15 15 GLY H H 15 8.723 8.723 8.398 0.325 25439 18141 1 25 . 1 1 16 16 PHE N N 16 123.113 123.113 122.627 0.486 25439 18142 1 25 . 1 1 16 16 PHE HA H 16 4.125 4.125 4.271 -0.146 25439 18143 1 25 . 1 1 16 16 PHE CA C 16 60.715 60.715 59.489 1.226 25439 18144 1 25 . 1 1 16 16 PHE CB C 16 39.639 39.639 39.095 0.544 25439 18145 1 25 . 1 1 16 16 PHE H H 16 8.127 8.127 8.283 -0.156 25439 18146 1 25 . 1 1 17 17 GLU N N 17 115.695 115.695 119.358 -3.663 25439 18147 1 25 . 1 1 17 17 GLU HA H 17 3.768 3.768 3.794 -0.026 25439 18148 1 25 . 1 1 17 17 GLU CA C 17 59.234 59.234 59.347 -0.113 25439 18149 1 25 . 1 1 17 17 GLU CB C 17 28.495 28.495 29.329 -0.834 25439 18150 1 25 . 1 1 17 17 GLU H H 17 9.088 9.088 8.179 0.909 25439 18151 1 25 . 1 1 18 18 LYS N N 18 115.887 115.887 117.560 -1.673 25439 18152 1 25 . 1 1 18 18 LYS HA H 18 4.165 4.165 4.067 0.098 25439 18153 1 25 . 1 1 18 18 LYS CA C 18 58.249 58.249 58.958 -0.709 25439 18154 1 25 . 1 1 18 18 LYS CB C 18 32.725 32.725 32.876 -0.151 25439 18155 1 25 . 1 1 18 18 LYS H H 18 7.285 7.285 7.776 -0.491 25439 18156 1 25 . 1 1 19 19 ILE N N 19 110.277 110.277 111.052 -0.775 25439 18157 1 25 . 1 1 19 19 ILE HA H 19 4.722 4.722 4.674 0.048 25439 18158 1 25 . 1 1 19 19 ILE CA C 19 61.093 61.093 59.808 1.285 25439 18159 1 25 . 1 1 19 19 ILE CB C 19 39.139 39.139 38.099 1.040 25439 18160 1 25 . 1 1 19 19 ILE H H 19 7.031 7.031 7.453 -0.422 25439 18161 1 25 . 1 1 20 20 LYS N N 20 124.540 124.540 122.494 2.046 25439 18162 1 25 . 1 1 20 20 LYS HA H 20 3.603 3.603 3.759 -0.156 25439 18163 1 25 . 1 1 20 20 LYS CA C 20 60.917 60.917 60.083 0.834 25439 18164 1 25 . 1 1 20 20 LYS CB C 20 30.210 30.210 30.733 -0.523 25439 18165 1 25 . 1 1 20 20 LYS H H 20 7.666 7.666 7.422 0.244 25439 18166 1 25 . 1 1 21 21 PRO HA H 21 4.292 4.292 4.526 -0.234 25439 18167 1 25 . 1 1 21 21 PRO CA C 21 66.990 66.990 65.276 1.714 25439 18168 1 25 . 1 1 21 21 PRO CB C 21 30.779 30.779 31.387 -0.608 25439 18169 1 25 . 1 1 22 22 THR N N 22 114.917 114.917 115.384 -0.467 25439 18170 1 25 . 1 1 22 22 THR HA H 22 3.866 3.866 4.023 -0.157 25439 18171 1 25 . 1 1 22 22 THR CA C 22 66.575 66.575 66.482 0.093 25439 18172 1 25 . 1 1 22 22 THR CB C 22 68.731 68.731 68.454 0.277 25439 18173 1 25 . 1 1 22 22 THR H H 22 7.331 7.331 8.341 -1.010 25439 18174 1 25 . 1 1 23 23 LEU N N 23 120.152 120.152 120.425 -0.273 25439 18175 1 25 . 1 1 23 23 LEU HA H 23 4.397 4.397 4.016 0.381 25439 18176 1 25 . 1 1 23 23 LEU CA C 23 58.740 58.740 57.850 0.890 25439 18177 1 25 . 1 1 23 23 LEU CB C 23 40.489 40.489 41.780 -1.291 25439 18178 1 25 . 1 1 23 23 LEU H H 23 7.991 7.991 7.737 0.254 25439 18179 1 25 . 1 1 24 24 THR N N 24 119.365 119.365 115.961 3.404 25439 18180 1 25 . 1 1 24 24 THR HA H 24 4.095 4.095 3.932 0.163 25439 18181 1 25 . 1 1 24 24 THR CA C 24 66.834 66.834 67.162 -0.328 25439 18182 1 25 . 1 1 24 24 THR CB C 24 68.614 68.614 68.520 0.094 25439 18183 1 25 . 1 1 24 24 THR H H 24 9.175 9.175 7.594 1.581 25439 18184 1 25 . 1 1 25 25 ASP N N 25 122.865 122.865 122.247 0.618 25439 18185 1 25 . 1 1 25 25 ASP HA H 25 4.483 4.483 4.338 0.145 25439 18186 1 25 . 1 1 25 25 ASP CA C 25 58.158 58.158 57.398 0.760 25439 18187 1 25 . 1 1 25 25 ASP CB C 25 40.329 40.329 40.685 -0.357 25439 18188 1 25 . 1 1 25 25 ASP H H 25 7.714 7.714 8.056 -0.342 25439 18189 1 25 . 1 1 26 26 PHE N N 26 116.182 116.182 118.534 -2.352 25439 18190 1 25 . 1 1 26 26 PHE HA H 26 4.457 4.457 4.127 0.330 25439 18191 1 25 . 1 1 26 26 PHE CA C 26 62.531 62.531 61.700 0.831 25439 18192 1 25 . 1 1 26 26 PHE CB C 26 39.468 39.468 38.827 0.641 25439 18193 1 25 . 1 1 26 26 PHE H H 26 7.816 7.816 7.796 0.020 25439 18194 1 25 . 1 1 27 27 GLU N N 27 120.107 120.107 119.653 0.454 25439 18195 1 25 . 1 1 27 27 GLU HA H 27 4.113 4.113 3.996 0.117 25439 18196 1 25 . 1 1 27 27 GLU CA C 27 59.852 59.852 59.757 0.095 25439 18197 1 25 . 1 1 27 27 GLU CB C 27 29.692 29.692 29.321 0.371 25439 18198 1 25 . 1 1 27 27 GLU H H 27 8.068 8.068 7.937 0.131 25439 18199 1 25 . 1 1 28 28 ILE N N 28 121.494 121.494 119.940 1.554 25439 18200 1 25 . 1 1 28 28 ILE HA H 28 3.718 3.718 3.718 0.000 25439 18201 1 25 . 1 1 28 28 ILE CA C 28 65.002 65.002 64.998 0.004 25439 18202 1 25 . 1 1 28 28 ILE CB C 28 38.023 38.023 37.981 0.042 25439 18203 1 25 . 1 1 28 28 ILE H H 28 8.531 8.531 7.604 0.927 25439 18204 1 25 . 1 1 29 29 GLN N N 29 118.941 118.941 120.075 -1.134 25439 18205 1 25 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.021 0.159 25439 18206 1 25 . 1 1 29 29 GLN CA C 29 59.507 59.507 58.996 0.511 25439 18207 1 25 . 1 1 29 29 GLN CB C 29 29.783 29.783 28.926 0.857 25439 18208 1 25 . 1 1 29 29 GLN H H 29 8.117 8.117 7.371 0.746 25439 18209 1 25 . 1 1 30 30 LEU N N 30 121.724 121.724 120.906 0.818 25439 18210 1 25 . 1 1 30 30 LEU HA H 30 4.032 4.032 4.027 0.005 25439 18211 1 25 . 1 1 30 30 LEU CA C 30 58.333 58.333 58.179 0.154 25439 18212 1 25 . 1 1 30 30 LEU CB C 30 42.339 42.339 41.966 0.373 25439 18213 1 25 . 1 1 30 30 LEU H H 30 8.677 8.677 8.705 -0.028 25439 18214 1 25 . 1 1 31 31 ARG N N 31 120.629 120.629 119.012 1.617 25439 18215 1 25 . 1 1 31 31 ARG HA H 31 4.105 4.105 3.906 0.199 25439 18216 1 25 . 1 1 31 31 ARG CA C 31 59.340 59.340 60.163 -0.823 25439 18217 1 25 . 1 1 31 31 ARG CB C 31 30.044 30.044 29.688 0.356 25439 18218 1 25 . 1 1 31 31 ARG H H 31 8.227 8.227 8.574 -0.347 25439 18219 1 25 . 1 1 32 32 ASP N N 32 120.233 120.233 120.037 0.196 25439 18220 1 25 . 1 1 32 32 ASP HA H 32 4.484 4.484 4.380 0.104 25439 18221 1 25 . 1 1 32 32 ASP CA C 32 57.199 57.199 57.594 -0.395 25439 18222 1 25 . 1 1 32 32 ASP CB C 32 40.202 40.202 40.618 -0.416 25439 18223 1 25 . 1 1 32 32 ASP H H 32 8.407 8.407 7.639 0.768 25439 18224 1 25 . 1 1 33 33 ALA N N 33 121.939 121.939 122.454 -0.515 25439 18225 1 25 . 1 1 33 33 ALA HA H 33 4.321 4.321 3.874 0.447 25439 18226 1 25 . 1 1 33 33 ALA CA C 33 54.207 54.207 55.211 -1.004 25439 18227 1 25 . 1 1 33 33 ALA CB C 33 18.738 18.738 18.313 0.425 25439 18228 1 25 . 1 1 33 33 ALA H H 33 8.057 8.057 7.458 0.599 25439 18229 1 25 . 1 1 34 34 GLN N N 34 114.736 114.736 116.649 -1.913 25439 18230 1 25 . 1 1 34 34 GLN HA H 34 4.248 4.248 4.052 0.196 25439 18231 1 25 . 1 1 34 34 GLN CA C 34 56.567 56.567 58.769 -2.202 25439 18232 1 25 . 1 1 34 34 GLN CB C 34 29.743 29.743 28.667 1.076 25439 18233 1 25 . 1 1 34 34 GLN H H 34 7.746 7.746 8.623 -0.877 25439 18234 1 25 . 1 1 35 35 LYS N N 35 120.534 120.534 118.201 2.333 25439 18235 1 25 . 1 1 35 35 LYS HA H 35 4.232 4.232 4.269 -0.037 25439 18236 1 25 . 1 1 35 35 LYS CA C 35 57.427 57.427 58.039 -0.612 25439 18237 1 25 . 1 1 35 35 LYS CB C 35 32.887 32.887 32.673 0.214 25439 18238 1 25 . 1 1 35 35 LYS H H 35 7.570 7.570 8.009 -0.439 25439 18239 1 25 . 1 1 36 36 ASP N N 36 120.943 120.943 120.693 0.250 25439 18240 1 25 . 1 1 36 36 ASP HA H 36 4.595 4.595 4.359 0.236 25439 18241 1 25 . 1 1 36 36 ASP CA C 36 54.983 54.983 56.604 -1.621 25439 18242 1 25 . 1 1 36 36 ASP CB C 36 41.129 41.129 40.704 0.425 25439 18243 1 25 . 1 1 36 36 ASP H H 36 8.375 8.375 8.399 -0.024 25439 18244 1 25 . 1 1 37 37 LYS N N 37 122.598 122.598 118.190 4.408 25439 18245 1 25 . 1 1 37 37 LYS HA H 37 4.365 4.365 3.948 0.417 25439 18246 1 25 . 1 1 37 37 LYS CA C 37 56.725 56.725 58.574 -1.849 25439 18247 1 25 . 1 1 37 37 LYS CB C 37 32.823 32.823 32.868 -0.045 25439 18248 1 25 . 1 1 37 37 LYS H H 37 8.446 8.446 7.514 0.932 25439 18249 1 25 . 1 1 38 38 SER N N 38 115.849 115.849 111.861 3.988 25439 18250 1 25 . 1 1 38 38 SER HA H 38 4.423 4.423 4.155 0.268 25439 18251 1 25 . 1 1 38 38 SER CA C 38 59.193 59.193 58.324 0.869 25439 18252 1 25 . 1 1 38 38 SER CB C 38 63.744 63.744 63.402 0.342 25439 18253 1 25 . 1 1 38 38 SER H H 38 8.392 8.392 7.763 0.629 25439 18254 1 25 . 1 1 39 39 SER N N 39 117.258 117.258 115.968 1.290 25439 18255 1 25 . 1 1 39 39 SER HA H 39 4.445 4.445 4.659 -0.214 25439 18256 1 25 . 1 1 39 39 SER CA C 39 58.933 58.933 57.862 1.071 25439 18257 1 25 . 1 1 39 39 SER CB C 39 63.711 63.711 64.031 -0.320 25439 18258 1 25 . 1 1 39 39 SER H H 39 8.283 8.283 8.141 0.142 25439 18259 1 25 . 1 1 40 40 LYS N N 40 122.427 122.427 121.327 1.100 25439 18260 1 25 . 1 1 40 40 LYS HA H 40 4.321 4.321 4.077 0.244 25439 18261 1 25 . 1 1 40 40 LYS CA C 40 56.847 56.847 57.267 -0.421 25439 18262 1 25 . 1 1 40 40 LYS CB C 40 32.764 32.764 31.400 1.364 25439 18263 1 25 . 1 1 40 40 LYS H H 40 8.263 8.263 8.601 -0.338 25439 18264 1 25 . 1 1 41 41 LEU N N 41 121.281 121.281 120.544 0.737 25439 18265 1 25 . 1 1 41 41 LEU HA H 41 4.308 4.308 4.371 -0.063 25439 18266 1 25 . 1 1 41 41 LEU CA C 41 55.335 55.335 55.578 -0.243 25439 18267 1 25 . 1 1 41 41 LEU CB C 41 42.212 42.212 43.318 -1.106 25439 18268 1 25 . 1 1 41 41 LEU H H 41 8.068 8.068 7.763 0.305 25439 18269 1 25 . 1 1 42 42 ALA N N 42 123.964 123.964 121.894 2.070 25439 18270 1 25 . 1 1 42 42 ALA HA H 42 4.274 4.274 3.872 0.402 25439 18271 1 25 . 1 1 42 42 ALA CA C 42 52.851 52.851 52.852 -0.001 25439 18272 1 25 . 1 1 42 42 ALA CB C 42 19.135 19.135 17.671 1.464 25439 18273 1 25 . 1 1 42 42 ALA H H 42 8.111 8.111 8.242 -0.131 25439 18274 1 25 . 1 1 43 43 ALA N N 43 122.146 122.146 126.999 -4.853 25439 18275 1 25 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.274 0.023 25439 18276 1 25 . 1 1 43 43 ALA CA C 43 52.727 52.727 52.013 0.714 25439 18277 1 25 . 1 1 43 43 ALA CB C 43 19.318 19.318 20.239 -0.921 25439 18278 1 25 . 1 1 43 43 ALA H H 43 8.101 8.101 8.183 -0.082 25439 18279 1 25 . 1 1 44 44 LYS N N 44 119.454 119.454 121.612 -2.158 25439 18280 1 25 . 1 1 44 44 LYS HA H 44 4.349 4.349 3.892 0.457 25439 18281 1 25 . 1 1 44 44 LYS CA C 44 56.267 56.267 56.665 -0.398 25439 18282 1 25 . 1 1 44 44 LYS CB C 44 32.825 32.825 31.612 1.213 25439 18283 1 25 . 1 1 44 44 LYS H H 44 8.198 8.198 8.584 -0.386 25439 18284 1 25 . 1 1 45 45 SER N N 45 116.660 116.660 115.121 1.539 25439 18285 1 25 . 1 1 45 45 SER HA H 45 4.368 4.368 4.270 0.098 25439 18286 1 25 . 1 1 45 45 SER CA C 45 58.477 58.477 59.794 -1.317 25439 18287 1 25 . 1 1 45 45 SER CB C 45 64.063 64.063 63.532 0.531 25439 18288 1 25 . 1 1 45 45 SER H H 45 8.251 8.251 8.257 -0.006 25439 18289 1 25 . 1 1 46 46 ASN N N 46 120.516 120.516 120.130 0.386 25439 18290 1 25 . 1 1 46 46 ASN HA H 46 4.361 4.361 4.339 0.022 25439 18291 1 25 . 1 1 46 46 ASN CA C 46 54.657 54.657 55.459 -0.802 25439 18292 1 25 . 1 1 46 46 ASN CB C 46 37.649 37.649 38.192 -0.543 25439 18293 1 25 . 1 1 46 46 ASN H H 46 8.498 8.498 8.459 0.039 25439 18294 1 25 . 1 1 47 47 GLU N N 47 117.964 117.964 117.461 0.503 25439 18295 1 25 . 1 1 47 47 GLU HA H 47 3.350 3.350 2.480 0.870 25439 18296 1 25 . 1 1 47 47 GLU CA C 47 59.213 59.213 58.722 0.491 25439 18297 1 25 . 1 1 47 47 GLU CB C 47 28.998 28.998 28.863 0.135 25439 18298 1 25 . 1 1 47 47 GLU H H 47 8.016 8.016 8.199 -0.183 25439 18299 1 25 . 1 1 48 48 GLN N N 48 119.468 119.468 119.524 -0.056 25439 18300 1 25 . 1 1 48 48 GLN HA H 48 4.250 4.250 4.029 0.221 25439 18301 1 25 . 1 1 48 48 GLN CA C 48 58.529 58.529 58.551 -0.022 25439 18302 1 25 . 1 1 48 48 GLN CB C 48 28.902 28.902 28.296 0.606 25439 18303 1 25 . 1 1 48 48 GLN H H 48 7.892 7.892 7.530 0.362 25439 18304 1 25 . 1 1 49 49 LEU N N 49 120.145 120.145 119.771 0.374 25439 18305 1 25 . 1 1 49 49 LEU HA H 49 4.232 4.232 3.995 0.237 25439 18306 1 25 . 1 1 49 49 LEU CA C 49 57.479 57.479 57.491 -0.012 25439 18307 1 25 . 1 1 49 49 LEU CB C 49 41.391 41.391 41.493 -0.102 25439 18308 1 25 . 1 1 49 49 LEU H H 49 7.699 7.699 7.528 0.171 25439 18309 1 25 . 1 1 50 50 TRP N N 50 119.596 119.596 117.388 2.208 25439 18310 1 25 . 1 1 50 50 TRP HA H 50 4.520 4.520 4.386 0.134 25439 18311 1 25 . 1 1 50 50 TRP CA C 50 58.353 58.353 58.290 0.063 25439 18312 1 25 . 1 1 50 50 TRP CB C 50 28.880 28.880 27.995 0.885 25439 18313 1 25 . 1 1 50 50 TRP H H 50 8.385 8.385 7.619 0.766 25439 18314 1 25 . 1 1 51 51 GLU N N 51 119.362 119.362 118.272 1.090 25439 18315 1 25 . 1 1 51 51 GLU HA H 51 4.145 4.145 4.186 -0.041 25439 18316 1 25 . 1 1 51 51 GLU CA C 51 60.035 60.035 59.590 0.445 25439 18317 1 25 . 1 1 51 51 GLU CB C 51 29.675 29.675 29.037 0.638 25439 18318 1 25 . 1 1 51 51 GLU H H 51 8.223 8.223 7.800 0.423 25439 18319 1 25 . 1 1 52 52 ILE N N 52 119.018 119.018 119.175 -0.157 25439 18320 1 25 . 1 1 52 52 ILE HA H 52 3.673 3.673 3.782 -0.109 25439 18321 1 25 . 1 1 52 52 ILE CA C 52 65.511 65.511 65.000 0.511 25439 18322 1 25 . 1 1 52 52 ILE CB C 52 38.532 38.532 37.836 0.696 25439 18323 1 25 . 1 1 52 52 ILE H H 52 7.801 7.801 7.199 0.602 25439 18324 1 25 . 1 1 53 53 MET N N 53 118.133 118.133 118.259 -0.126 25439 18325 1 25 . 1 1 53 53 MET HA H 53 4.452 4.452 4.191 0.261 25439 18326 1 25 . 1 1 53 53 MET CA C 53 58.216 58.216 58.490 -0.274 25439 18327 1 25 . 1 1 53 53 MET CB C 53 31.838 31.838 32.389 -0.551 25439 18328 1 25 . 1 1 53 53 MET H H 53 8.411 8.411 8.226 0.185 25439 18329 1 25 . 1 1 54 54 GLN N N 54 120.855 120.855 119.463 1.392 25439 18330 1 25 . 1 1 54 54 GLN HA H 54 4.333 4.333 3.927 0.406 25439 18331 1 25 . 1 1 54 54 GLN CA C 54 59.004 59.004 58.608 0.396 25439 18332 1 25 . 1 1 54 54 GLN CB C 54 27.824 27.824 28.880 -1.056 25439 18333 1 25 . 1 1 54 54 GLN H H 54 8.860 8.860 7.819 1.041 25439 18334 1 25 . 1 1 55 55 LEU N N 55 122.788 122.788 119.734 3.054 25439 18335 1 25 . 1 1 55 55 LEU HA H 55 4.302 4.302 4.167 0.135 25439 18336 1 25 . 1 1 55 55 LEU CA C 55 58.685 58.685 57.962 0.723 25439 18337 1 25 . 1 1 55 55 LEU CB C 55 42.695 42.695 41.888 0.807 25439 18338 1 25 . 1 1 55 55 LEU H H 55 8.298 8.298 8.003 0.295 25439 18339 1 25 . 1 1 56 56 HIS N N 56 118.426 118.426 117.956 0.470 25439 18340 1 25 . 1 1 56 56 HIS HA H 56 4.317 4.317 4.170 0.147 25439 18341 1 25 . 1 1 56 56 HIS CA C 56 60.732 60.732 60.336 0.396 25439 18342 1 25 . 1 1 56 56 HIS CB C 56 30.530 30.530 29.771 0.759 25439 18343 1 25 . 1 1 56 56 HIS H H 56 8.416 8.416 7.812 0.604 25439 18344 1 25 . 1 1 57 57 HIS N N 57 121.197 121.197 119.661 1.536 25439 18345 1 25 . 1 1 57 57 HIS HA H 57 4.318 4.318 4.568 -0.250 25439 18346 1 25 . 1 1 57 57 HIS CA C 57 60.739 60.739 59.032 1.707 25439 18347 1 25 . 1 1 57 57 HIS CB C 57 28.726 28.726 30.142 -1.416 25439 18348 1 25 . 1 1 57 57 HIS H H 57 8.608 8.608 8.331 0.277 25439 18349 1 25 . 1 1 58 58 GLN N N 58 118.739 118.739 118.808 -0.069 25439 18350 1 25 . 1 1 58 58 GLN HA H 58 4.202 4.202 4.079 0.123 25439 18351 1 25 . 1 1 58 58 GLN CA C 58 59.507 59.507 59.635 -0.128 25439 18352 1 25 . 1 1 58 58 GLN CB C 58 29.111 29.111 28.768 0.343 25439 18353 1 25 . 1 1 58 58 GLN H H 58 9.206 9.206 8.206 1.000 25439 18354 1 25 . 1 1 59 59 ARG N N 59 122.498 122.498 119.418 3.080 25439 18355 1 25 . 1 1 59 59 ARG HA H 59 3.437 3.437 3.866 -0.429 25439 18356 1 25 . 1 1 59 59 ARG CA C 59 60.361 60.361 58.716 1.645 25439 18357 1 25 . 1 1 59 59 ARG H H 59 8.623 8.623 8.073 0.550 25439 18358 1 25 . 1 1 60 60 SER N N 60 114.930 114.930 115.087 -0.157 25439 18359 1 25 . 1 1 60 60 SER HA H 60 4.515 4.515 4.291 0.224 25439 18360 1 25 . 1 1 60 60 SER CA C 60 64.832 64.832 61.639 3.193 25439 18361 1 25 . 1 1 60 60 SER CB C 60 63.583 63.583 63.160 0.423 25439 18362 1 25 . 1 1 60 60 SER H H 60 7.993 7.993 8.457 -0.464 25439 18363 1 25 . 1 1 61 61 ARG N N 61 124.417 124.417 122.732 1.685 25439 18364 1 25 . 1 1 61 61 ARG HA H 61 4.204 4.204 4.165 0.039 25439 18365 1 25 . 1 1 61 61 ARG CA C 61 58.852 58.852 59.596 -0.744 25439 18366 1 25 . 1 1 61 61 ARG CB C 61 29.077 29.077 30.252 -1.175 25439 18367 1 25 . 1 1 61 61 ARG H H 61 9.569 9.569 8.658 0.911 25439 18368 1 25 . 1 1 62 62 TYR N N 62 124.484 124.484 120.841 3.643 25439 18369 1 25 . 1 1 62 62 TYR HA H 62 4.676 4.676 4.282 0.394 25439 18370 1 25 . 1 1 62 62 TYR CA C 62 61.006 61.006 62.047 -1.041 25439 18371 1 25 . 1 1 62 62 TYR CB C 62 38.392 38.392 38.743 -0.351 25439 18372 1 25 . 1 1 62 62 TYR H H 62 8.622 8.622 8.367 0.255 25439 18373 1 25 . 1 1 63 63 ILE N N 63 119.789 119.789 119.120 0.669 25439 18374 1 25 . 1 1 63 63 ILE HA H 63 3.492 3.492 3.804 -0.312 25439 18375 1 25 . 1 1 63 63 ILE CA C 63 65.693 65.693 65.490 0.203 25439 18376 1 25 . 1 1 63 63 ILE CB C 63 38.023 38.023 38.386 -0.363 25439 18377 1 25 . 1 1 63 63 ILE H H 63 7.588 7.588 8.170 -0.582 25439 18378 1 25 . 1 1 64 64 TYR N N 64 120.485 120.485 120.277 0.208 25439 18379 1 25 . 1 1 64 64 TYR HA H 64 4.577 4.577 4.441 0.136 25439 18380 1 25 . 1 1 64 64 TYR CA C 64 61.759 61.759 61.240 0.519 25439 18381 1 25 . 1 1 64 64 TYR CB C 64 39.772 39.772 38.451 1.321 25439 18382 1 25 . 1 1 64 64 TYR H H 64 9.166 9.166 9.219 -0.053 25439 18383 1 25 . 1 1 65 65 THR N N 65 117.072 117.072 116.169 0.903 25439 18384 1 25 . 1 1 65 65 THR HA H 65 3.562 3.562 4.113 -0.551 25439 18385 1 25 . 1 1 65 65 THR CA C 65 67.016 67.016 66.163 0.853 25439 18386 1 25 . 1 1 65 65 THR CB C 65 68.711 68.711 69.364 -0.653 25439 18387 1 25 . 1 1 65 65 THR H H 65 8.987 8.987 8.148 0.839 25439 18388 1 25 . 1 1 66 66 LEU N N 66 122.107 122.107 121.704 0.403 25439 18389 1 25 . 1 1 66 66 LEU HA H 66 3.782 3.782 4.262 -0.480 25439 18390 1 25 . 1 1 66 66 LEU CA C 66 58.476 58.476 58.093 0.383 25439 18391 1 25 . 1 1 66 66 LEU CB C 66 43.183 43.183 40.935 2.248 25439 18392 1 25 . 1 1 66 66 LEU H H 66 8.286 8.286 7.672 0.614 25439 18393 1 25 . 1 1 67 67 TYR N N 67 115.264 115.264 119.081 -3.817 25439 18394 1 25 . 1 1 67 67 TYR HA H 67 4.344 4.344 4.112 0.232 25439 18395 1 25 . 1 1 67 67 TYR CA C 67 60.830 60.830 61.621 -0.791 25439 18396 1 25 . 1 1 67 67 TYR CB C 67 40.376 40.376 39.370 1.006 25439 18397 1 25 . 1 1 67 67 TYR H H 67 7.983 7.983 8.234 -0.251 25439 18398 1 25 . 1 1 68 68 TYR N N 68 113.945 113.945 116.630 -2.685 25439 18399 1 25 . 1 1 68 68 TYR HA H 68 3.699 3.699 4.249 -0.550 25439 18400 1 25 . 1 1 68 68 TYR CA C 68 62.030 62.030 60.671 1.359 25439 18401 1 25 . 1 1 68 68 TYR CB C 68 38.046 38.046 38.696 -0.650 25439 18402 1 25 . 1 1 68 68 TYR H H 68 8.297 8.297 7.689 0.608 25439 18403 1 25 . 1 1 69 69 LYS N N 69 114.346 114.346 118.464 -4.118 25439 18404 1 25 . 1 1 69 69 LYS HA H 69 4.564 4.564 4.282 0.282 25439 18405 1 25 . 1 1 69 69 LYS CA C 69 56.821 56.821 56.656 0.165 25439 18406 1 25 . 1 1 69 69 LYS CB C 69 31.980 31.980 33.358 -1.378 25439 18407 1 25 . 1 1 69 69 LYS H H 69 7.084 7.084 7.536 -0.452 25439 18408 1 25 . 1 1 70 70 ARG N N 70 114.676 114.676 119.766 -5.090 25439 18409 1 25 . 1 1 70 70 ARG HA H 70 4.251 4.251 4.112 0.139 25439 18410 1 25 . 1 1 70 70 ARG CA C 70 56.314 56.314 56.953 -0.639 25439 18411 1 25 . 1 1 70 70 ARG CB C 70 31.128 31.128 30.419 0.709 25439 18412 1 25 . 1 1 70 70 ARG H H 70 8.178 8.178 7.951 0.227 25439 18413 1 25 . 1 1 71 71 LYS N N 71 115.371 115.371 115.653 -0.282 25439 18414 1 25 . 1 1 71 71 LYS HA H 71 4.036 4.036 3.778 0.258 25439 18415 1 25 . 1 1 71 71 LYS CA C 71 57.121 57.121 57.297 -0.176 25439 18416 1 25 . 1 1 71 71 LYS CB C 71 28.897 28.897 30.235 -1.338 25439 18417 1 25 . 1 1 71 71 LYS H H 71 6.843 6.843 7.791 -0.948 25439 18418 1 25 . 1 1 72 72 ALA N N 72 117.701 117.701 120.954 -3.253 25439 18419 1 25 . 1 1 72 72 ALA HA H 72 4.395 4.395 4.452 -0.057 25439 18420 1 25 . 1 1 72 72 ALA CA C 72 52.597 52.597 52.070 0.527 25439 18421 1 25 . 1 1 72 72 ALA CB C 72 21.560 21.560 19.871 1.689 25439 18422 1 25 . 1 1 72 72 ALA H H 72 8.560 8.560 7.621 0.939 25439 18423 1 25 . 1 1 73 73 ILE N N 73 107.605 107.605 117.151 -9.546 25439 18424 1 25 . 1 1 73 73 ILE CB C 73 42.724 42.724 41.661 1.063 25439 18425 1 25 . 1 1 73 73 ILE H H 73 7.074 7.074 7.268 -0.194 25439 18426 1 25 . 1 1 74 74 SER N N 74 118.425 118.425 118.505 -0.080 25439 18427 1 25 . 1 1 74 74 SER HA H 74 4.484 4.484 4.881 -0.397 25439 18428 1 25 . 1 1 74 74 SER CA C 74 57.082 57.082 57.040 0.042 25439 18429 1 25 . 1 1 74 74 SER CB C 74 65.396 65.396 65.207 0.189 25439 18430 1 25 . 1 1 74 74 SER H H 74 8.797 8.797 8.384 0.413 25439 18431 1 25 . 1 1 75 75 LYS N N 75 121.891 121.891 123.528 -1.637 25439 18432 1 25 . 1 1 75 75 LYS HA H 75 3.851 3.851 4.185 -0.334 25439 18433 1 25 . 1 1 75 75 LYS CA C 75 59.624 59.624 59.958 -0.334 25439 18434 1 25 . 1 1 75 75 LYS CB C 75 32.368 32.368 32.413 -0.045 25439 18435 1 25 . 1 1 75 75 LYS H H 75 9.024 9.024 9.170 -0.146 25439 18436 1 25 . 1 1 76 76 ASP N N 76 115.908 115.908 118.636 -2.728 25439 18437 1 25 . 1 1 76 76 ASP HA H 76 4.423 4.423 4.412 0.011 25439 18438 1 25 . 1 1 76 76 ASP CA C 76 57.362 57.362 57.274 0.088 25439 18439 1 25 . 1 1 76 76 ASP CB C 76 40.391 40.391 40.141 0.250 25439 18440 1 25 . 1 1 76 76 ASP H H 76 8.161 8.161 8.555 -0.394 25439 18441 1 25 . 1 1 77 77 LEU N N 77 121.705 121.705 121.454 0.251 25439 18442 1 25 . 1 1 77 77 LEU HA H 77 4.180 4.180 4.133 0.047 25439 18443 1 25 . 1 1 77 77 LEU CA C 77 57.818 57.818 57.797 0.021 25439 18444 1 25 . 1 1 77 77 LEU H H 77 8.345 8.345 7.737 0.608 25439 18445 1 25 . 1 1 78 78 TYR N N 78 121.511 121.511 119.827 1.684 25439 18446 1 25 . 1 1 78 78 TYR HA H 78 3.789 3.789 3.994 -0.205 25439 18447 1 25 . 1 1 78 78 TYR CA C 78 62.857 62.857 60.689 2.168 25439 18448 1 25 . 1 1 78 78 TYR CB C 78 38.369 38.369 37.766 0.604 25439 18449 1 25 . 1 1 78 78 TYR H H 78 8.598 8.598 8.659 -0.061 25439 18450 1 25 . 1 1 79 79 ASP N N 79 117.189 117.189 119.821 -2.632 25439 18451 1 25 . 1 1 79 79 ASP HA H 79 4.066 4.066 4.057 0.009 25439 18452 1 25 . 1 1 79 79 ASP CA C 79 57.219 57.219 57.250 -0.031 25439 18453 1 25 . 1 1 79 79 ASP CB C 79 40.003 40.003 40.645 -0.642 25439 18454 1 25 . 1 1 79 79 ASP H H 79 9.106 9.106 8.576 0.530 25439 18455 1 25 . 1 1 80 80 TRP N N 80 123.400 123.400 121.879 1.521 25439 18456 1 25 . 1 1 80 80 TRP HA H 80 4.160 4.160 4.133 0.027 25439 18457 1 25 . 1 1 80 80 TRP CA C 80 62.368 62.368 62.022 0.346 25439 18458 1 25 . 1 1 80 80 TRP CB C 80 29.969 29.969 29.360 0.609 25439 18459 1 25 . 1 1 80 80 TRP H H 80 7.931 7.931 8.444 -0.513 25439 18460 1 25 . 1 1 81 81 LEU N N 81 119.674 119.674 118.983 0.691 25439 18461 1 25 . 1 1 81 81 LEU HA H 81 3.971 3.971 2.640 1.331 25439 18462 1 25 . 1 1 81 81 LEU CA C 81 58.294 58.294 57.522 0.772 25439 18463 1 25 . 1 1 81 81 LEU CB C 81 41.818 41.818 41.626 0.192 25439 18464 1 25 . 1 1 81 81 LEU H H 81 8.814 8.814 7.991 0.823 25439 18465 1 25 . 1 1 82 82 ILE N N 82 118.746 118.746 116.594 2.152 25439 18466 1 25 . 1 1 82 82 ILE HA H 82 3.861 3.861 3.695 0.166 25439 18467 1 25 . 1 1 82 82 ILE CA C 82 62.734 62.734 63.038 -0.304 25439 18468 1 25 . 1 1 82 82 ILE CB C 82 36.236 36.236 36.648 -0.412 25439 18469 1 25 . 1 1 82 82 ILE H H 82 7.886 7.886 7.463 0.423 25439 18470 1 25 . 1 1 83 83 LYS N N 83 124.819 124.819 119.141 5.678 25439 18471 1 25 . 1 1 83 83 LYS HA H 83 3.911 3.911 4.112 -0.201 25439 18472 1 25 . 1 1 83 83 LYS CA C 83 59.643 59.643 57.924 1.719 25439 18473 1 25 . 1 1 83 83 LYS CB C 83 32.027 32.027 32.948 -0.921 25439 18474 1 25 . 1 1 83 83 LYS H H 83 8.224 8.224 7.676 0.548 25439 18475 1 25 . 1 1 84 84 GLU N N 84 115.404 115.404 117.759 -2.355 25439 18476 1 25 . 1 1 84 84 GLU HA H 84 3.841 3.841 4.310 -0.469 25439 18477 1 25 . 1 1 84 84 GLU CA C 84 55.582 55.582 54.877 0.705 25439 18478 1 25 . 1 1 84 84 GLU CB C 84 29.459 29.459 28.547 0.912 25439 18479 1 25 . 1 1 84 84 GLU H H 84 8.138 8.138 7.262 0.876 25439 18480 1 25 . 1 1 85 85 LYS N N 85 111.563 111.563 117.846 -6.283 25439 18481 1 25 . 1 1 85 85 LYS HA H 85 3.820 3.820 3.980 -0.160 25439 18482 1 25 . 1 1 85 85 LYS CA C 85 57.890 57.890 57.114 0.776 25439 18483 1 25 . 1 1 85 85 LYS CB C 85 28.005 28.005 30.692 -2.687 25439 18484 1 25 . 1 1 85 85 LYS H H 85 7.719 7.719 7.875 -0.156 25439 18485 1 25 . 1 1 86 86 TYR N N 86 116.916 116.916 119.522 -2.606 25439 18486 1 25 . 1 1 86 86 TYR HA H 86 4.137 4.137 4.372 -0.235 25439 18487 1 25 . 1 1 86 86 TYR CA C 86 61.228 61.228 58.885 2.343 25439 18488 1 25 . 1 1 86 86 TYR CB C 86 39.535 39.535 40.738 -1.203 25439 18489 1 25 . 1 1 86 86 TYR H H 86 8.521 8.521 7.889 0.632 25439 18490 1 25 . 1 1 87 87 ALA N N 87 113.715 113.715 119.781 -6.066 25439 18491 1 25 . 1 1 87 87 ALA HA H 87 4.738 4.738 4.321 0.417 25439 18492 1 25 . 1 1 87 87 ALA CA C 87 49.121 49.121 50.832 -1.711 25439 18493 1 25 . 1 1 87 87 ALA CB C 87 23.295 23.295 21.214 2.081 25439 18494 1 25 . 1 1 87 87 ALA H H 87 6.959 6.959 7.600 -0.641 25439 18495 1 25 . 1 1 88 88 ASP N N 88 119.344 119.344 119.634 -0.290 25439 18496 1 25 . 1 1 88 88 ASP HA H 88 4.544 4.544 4.886 -0.342 25439 18497 1 25 . 1 1 88 88 ASP CA C 88 52.714 52.714 53.168 -0.454 25439 18498 1 25 . 1 1 88 88 ASP CB C 88 41.845 41.845 42.004 -0.159 25439 18499 1 25 . 1 1 88 88 ASP H H 88 7.870 7.870 8.624 -0.754 25439 18500 1 25 . 1 1 89 89 LYS N N 89 125.312 125.312 126.134 -0.822 25439 18501 1 25 . 1 1 89 89 LYS HA H 89 3.834 3.834 4.069 -0.235 25439 18502 1 25 . 1 1 89 89 LYS CA C 89 59.409 59.409 59.361 0.048 25439 18503 1 25 . 1 1 89 89 LYS CB C 89 32.848 32.848 32.436 0.412 25439 18504 1 25 . 1 1 89 89 LYS H H 89 8.467 8.467 8.763 -0.296 25439 18505 1 25 . 1 1 90 90 LEU N N 90 119.899 119.899 119.938 -0.039 25439 18506 1 25 . 1 1 90 90 LEU HA H 90 4.023 4.023 4.002 0.021 25439 18507 1 25 . 1 1 90 90 LEU CA C 90 57.049 57.049 57.874 -0.825 25439 18508 1 25 . 1 1 90 90 LEU CB C 90 41.099 41.099 41.710 -0.611 25439 18509 1 25 . 1 1 90 90 LEU H H 90 8.076 8.076 7.898 0.178 25439 18510 1 25 . 1 1 91 91 LEU N N 91 123.148 123.148 120.244 2.904 25439 18511 1 25 . 1 1 91 91 LEU HA H 91 3.498 3.498 3.671 -0.173 25439 18512 1 25 . 1 1 91 91 LEU CA C 91 56.971 56.971 57.708 -0.737 25439 18513 1 25 . 1 1 91 91 LEU CB C 91 41.823 41.823 41.635 0.188 25439 18514 1 25 . 1 1 91 91 LEU H H 91 7.120 7.120 7.379 -0.259 25439 18515 1 25 . 1 1 92 92 ILE N N 92 116.780 116.780 118.548 -1.768 25439 18516 1 25 . 1 1 92 92 ILE HA H 92 3.265 3.265 3.550 -0.285 25439 18517 1 25 . 1 1 92 92 ILE CA C 92 65.178 65.178 65.083 0.095 25439 18518 1 25 . 1 1 92 92 ILE CB C 92 38.209 38.209 37.473 0.736 25439 18519 1 25 . 1 1 92 92 ILE H H 92 7.384 7.384 8.006 -0.622 25439 18520 1 25 . 1 1 93 93 ALA N N 93 117.061 117.061 121.955 -4.894 25439 18521 1 25 . 1 1 93 93 ALA HA H 93 3.930 3.930 4.024 -0.094 25439 18522 1 25 . 1 1 93 93 ALA CA C 93 54.839 54.839 55.038 -0.199 25439 18523 1 25 . 1 1 93 93 ALA CB C 93 18.125 18.125 18.138 -0.013 25439 18524 1 25 . 1 1 93 93 ALA H H 93 7.437 7.437 8.194 -0.757 25439 18525 1 25 . 1 1 94 94 LYS N N 94 116.036 116.036 119.250 -3.214 25439 18526 1 25 . 1 1 94 94 LYS HA H 94 3.803 3.803 3.666 0.137 25439 18527 1 25 . 1 1 94 94 LYS CA C 94 56.945 56.945 59.099 -2.154 25439 18528 1 25 . 1 1 94 94 LYS CB C 94 31.047 31.047 31.751 -0.704 25439 18529 1 25 . 1 1 94 94 LYS H H 94 7.012 7.012 7.532 -0.520 25439 18530 1 25 . 1 1 95 95 TRP N N 95 118.700 118.700 117.091 1.609 25439 18531 1 25 . 1 1 95 95 TRP HA H 95 4.814 4.814 4.521 0.293 25439 18532 1 25 . 1 1 95 95 TRP CA C 95 57.136 57.136 59.987 -2.851 25439 18533 1 25 . 1 1 95 95 TRP CB C 95 28.171 28.171 29.009 -0.838 25439 18534 1 25 . 1 1 95 95 TRP H H 95 7.611 7.611 7.783 -0.172 25439 18535 1 25 . 1 1 96 96 ARG N N 96 113.031 113.031 116.096 -3.065 25439 18536 1 25 . 1 1 96 96 ARG HA H 96 4.233 4.233 4.440 -0.207 25439 18537 1 25 . 1 1 96 96 ARG CA C 96 56.234 56.234 56.098 0.136 25439 18538 1 25 . 1 1 96 96 ARG CB C 96 30.245 30.245 29.977 0.268 25439 18539 1 25 . 1 1 96 96 ARG H H 96 7.066 7.066 7.357 -0.291 25439 18540 1 25 . 1 1 97 97 LYS N N 97 123.252 123.252 119.722 3.530 25439 18541 1 25 . 1 1 97 97 LYS HA H 97 4.634 4.634 4.631 0.003 25439 18542 1 25 . 1 1 97 97 LYS CA C 97 54.937 54.937 54.677 0.260 25439 18543 1 25 . 1 1 97 97 LYS CB C 97 34.166 34.166 34.053 0.113 25439 18544 1 25 . 1 1 97 97 LYS H H 97 8.467 8.467 7.952 0.515 25439 18545 1 25 . 1 1 98 98 THR N N 98 119.993 119.993 115.126 4.867 25439 18546 1 25 . 1 1 98 98 THR HA H 98 4.224 4.224 4.487 -0.263 25439 18547 1 25 . 1 1 98 98 THR CA C 98 64.670 64.670 62.141 2.529 25439 18548 1 25 . 1 1 98 98 THR CB C 98 69.200 69.200 69.068 0.132 25439 18549 1 25 . 1 1 98 98 THR H H 98 8.329 8.329 8.267 0.062 25439 18550 1 25 . 1 1 99 99 GLY N N 99 116.645 116.645 115.877 0.768 25439 18551 1 25 . 1 1 99 99 GLY CA C 99 45.047 45.047 44.890 0.157 25439 18552 1 25 . 1 1 99 99 GLY H H 99 9.273 9.273 8.759 0.514 25439 18553 1 25 . 1 1 100 100 TYR N N 100 120.784 120.784 122.193 -1.409 25439 18554 1 25 . 1 1 100 100 TYR HA H 100 4.704 4.704 4.603 0.101 25439 18555 1 25 . 1 1 100 100 TYR CA C 100 57.697 57.697 56.502 1.195 25439 18556 1 25 . 1 1 100 100 TYR CB C 100 39.413 39.413 36.160 3.253 25439 18557 1 25 . 1 1 100 100 TYR H H 100 8.457 8.457 8.081 0.376 25439 18558 1 25 . 1 1 101 101 GLU N N 101 119.482 119.482 121.122 -1.640 25439 18559 1 25 . 1 1 101 101 GLU HA H 101 4.601 4.601 4.301 0.300 25439 18560 1 25 . 1 1 101 101 GLU CA C 101 61.207 61.207 58.561 2.646 25439 18561 1 25 . 1 1 101 101 GLU CB C 101 29.648 29.648 30.258 -0.610 25439 18562 1 25 . 1 1 101 101 GLU H H 101 9.836 9.836 7.877 1.959 25439 18563 1 25 . 1 1 102 102 LYS N N 102 115.179 115.179 119.640 -4.461 25439 18564 1 25 . 1 1 102 102 LYS HA H 102 4.295 4.295 4.673 -0.378 25439 18565 1 25 . 1 1 102 102 LYS CA C 102 54.207 54.207 55.348 -1.141 25439 18566 1 25 . 1 1 102 102 LYS CB C 102 32.489 32.489 32.870 -0.382 25439 18567 1 25 . 1 1 102 102 LYS H H 102 8.291 8.291 8.042 0.249 25439 18568 1 25 . 1 1 103 103 LEU N N 103 119.637 119.637 120.120 -0.483 25439 18569 1 25 . 1 1 103 103 LEU HA H 103 4.385 4.385 5.029 -0.644 25439 18570 1 25 . 1 1 103 103 LEU CA C 103 56.549 56.549 54.044 2.505 25439 18571 1 25 . 1 1 103 103 LEU CB C 103 43.864 43.864 44.601 -0.737 25439 18572 1 25 . 1 1 103 103 LEU H H 103 7.642 7.642 8.027 -0.385 25439 18573 1 25 . 1 1 104 104 CYS N N 104 129.651 129.651 117.345 12.306 25439 18574 1 25 . 1 1 104 104 CYS HA H 104 4.498 4.498 5.139 -0.641 25439 18575 1 25 . 1 1 104 104 CYS CA C 104 58.076 58.076 58.432 -0.356 25439 18576 1 25 . 1 1 104 104 CYS CB C 104 32.301 32.301 28.151 4.150 25439 18577 1 25 . 1 1 104 104 CYS H H 104 8.638 8.638 8.918 -0.280 25439 18578 1 25 . 1 1 105 105 CYS N N 105 120.206 120.206 118.020 2.186 25439 18579 1 25 . 1 1 105 105 CYS HA H 105 4.806 4.806 4.874 -0.068 25439 18580 1 25 . 1 1 105 105 CYS CA C 105 58.271 58.271 56.880 1.391 25439 18581 1 25 . 1 1 105 105 CYS CB C 105 32.062 32.062 30.179 1.883 25439 18582 1 25 . 1 1 105 105 CYS H H 105 8.158 8.158 7.915 0.243 25439 18583 1 25 . 1 1 106 106 LEU N N 106 115.513 115.513 122.191 -6.678 25439 18584 1 25 . 1 1 106 106 LEU HA H 106 4.054 4.054 4.210 -0.156 25439 18585 1 25 . 1 1 106 106 LEU CA C 106 56.110 56.110 56.340 -0.230 25439 18586 1 25 . 1 1 106 106 LEU CB C 106 41.227 41.227 42.448 -1.221 25439 18587 1 25 . 1 1 106 106 LEU H H 106 8.466 8.466 8.398 0.068 25439 18588 1 25 . 1 1 107 107 ARG N N 107 122.711 122.711 116.937 5.774 25439 18589 1 25 . 1 1 107 107 ARG HA H 107 3.993 3.993 4.255 -0.262 25439 18590 1 25 . 1 1 107 107 ARG CA C 107 58.311 58.311 56.351 1.960 25439 18591 1 25 . 1 1 107 107 ARG CB C 107 28.965 28.965 28.950 0.015 25439 18592 1 25 . 1 1 107 107 ARG H H 107 8.131 8.131 8.071 0.060 25439 18593 1 25 . 1 1 108 108 CYS N N 108 119.055 119.055 117.925 1.130 25439 18594 1 25 . 1 1 108 108 CYS HA H 108 4.101 4.101 4.718 -0.617 25439 18595 1 25 . 1 1 108 108 CYS CA C 108 63.936 63.936 57.514 6.423 25439 18596 1 25 . 1 1 108 108 CYS CB C 108 30.934 30.934 27.381 3.553 25439 18597 1 25 . 1 1 108 108 CYS H H 108 8.010 8.010 7.895 0.115 25439 18598 1 25 . 1 1 109 109 ILE N N 109 107.315 107.315 113.190 -5.875 25439 18599 1 25 . 1 1 109 109 ILE HA H 109 4.684 4.684 4.434 0.250 25439 18600 1 25 . 1 1 109 109 ILE CA C 109 60.483 60.483 60.881 -0.398 25439 18601 1 25 . 1 1 109 109 ILE CB C 109 38.320 38.320 39.032 -0.712 25439 18602 1 25 . 1 1 109 109 ILE H H 109 7.105 7.105 7.534 -0.429 25439 18603 1 25 . 1 1 110 110 GLN N N 110 122.468 122.468 121.263 1.205 25439 18604 1 25 . 1 1 110 110 GLN HA H 110 4.268 4.268 4.713 -0.445 25439 18605 1 25 . 1 1 110 110 GLN CA C 110 55.981 55.981 54.870 1.111 25439 18606 1 25 . 1 1 110 110 GLN CB C 110 29.656 29.656 31.681 -2.025 25439 18607 1 25 . 1 1 110 110 GLN H H 110 7.156 7.156 8.225 -1.069 25439 18608 1 25 . 1 1 111 111 LYS N N 111 124.650 124.650 122.139 2.511 25439 18609 1 25 . 1 1 111 111 LYS HA H 111 4.246 4.246 5.055 -0.809 25439 18610 1 25 . 1 1 111 111 LYS CA C 111 56.546 56.546 54.942 1.604 25439 18611 1 25 . 1 1 111 111 LYS CB C 111 32.846 32.846 35.342 -2.496 25439 18612 1 25 . 1 1 111 111 LYS H H 111 8.522 8.522 8.484 0.038 25439 18613 1 25 . 1 1 112 112 ASN N N 112 120.972 120.972 118.098 2.874 25439 18614 1 25 . 1 1 112 112 ASN HA H 112 4.778 4.778 4.713 0.065 25439 18615 1 25 . 1 1 112 112 ASN CA C 112 52.902 52.902 53.635 -0.733 25439 18616 1 25 . 1 1 112 112 ASN CB C 112 39.328 39.328 39.867 -0.539 25439 18617 1 25 . 1 1 112 112 ASN H H 112 8.360 8.360 8.737 -0.377 25439 18618 1 25 . 1 1 113 113 GLU N N 113 121.710 121.710 119.503 2.207 25439 18619 1 25 . 1 1 113 113 GLU HA H 113 4.248 4.248 4.712 -0.464 25439 18620 1 25 . 1 1 113 113 GLU CA C 113 58.611 58.611 55.807 2.804 25439 18621 1 25 . 1 1 113 113 GLU CB C 113 29.590 29.590 31.301 -1.711 25439 18622 1 25 . 1 1 113 113 GLU H H 113 9.023 9.023 8.131 0.892 25439 18623 1 25 . 1 1 114 114 THR N N 114 112.186 112.186 112.192 -0.006 25439 18624 1 25 . 1 1 114 114 THR HA H 114 4.321 4.321 4.320 0.001 25439 18625 1 25 . 1 1 114 114 THR CA C 114 63.161 63.161 63.240 -0.079 25439 18626 1 25 . 1 1 114 114 THR CB C 114 69.481 69.481 69.233 0.248 25439 18627 1 25 . 1 1 114 114 THR H H 114 8.112 8.112 8.360 -0.248 25439 18628 1 25 . 1 1 115 115 ASN N N 115 119.112 119.112 120.292 -1.180 25439 18629 1 25 . 1 1 115 115 ASN HA H 115 4.829 4.829 4.772 0.057 25439 18630 1 25 . 1 1 115 115 ASN CA C 115 53.110 53.110 52.904 0.206 25439 18631 1 25 . 1 1 115 115 ASN CB C 115 38.659 38.659 39.686 -1.027 25439 18632 1 25 . 1 1 115 115 ASN H H 115 8.047 8.047 8.032 0.015 25439 18633 1 25 . 1 1 116 116 ASN N N 116 117.175 117.175 118.458 -1.283 25439 18634 1 25 . 1 1 116 116 ASN HA H 116 4.615 4.615 4.520 0.095 25439 18635 1 25 . 1 1 116 116 ASN CA C 116 53.965 53.965 53.521 0.444 25439 18636 1 25 . 1 1 116 116 ASN CB C 116 38.173 38.173 37.901 0.272 25439 18637 1 25 . 1 1 116 116 ASN H H 116 8.364 8.364 8.772 -0.408 25439 18638 1 25 . 1 1 117 117 GLY N N 117 107.294 107.294 107.090 0.204 25439 18639 1 25 . 1 1 117 117 GLY CA C 117 45.882 45.882 44.866 1.016 25439 18640 1 25 . 1 1 117 117 GLY H H 117 8.264 8.264 8.326 -0.062 25439 18641 1 25 . 1 1 118 118 SER N N 118 115.475 115.475 115.234 0.241 25439 18642 1 25 . 1 1 118 118 SER HA H 118 4.586 4.586 4.626 -0.040 25439 18643 1 25 . 1 1 118 118 SER CA C 118 57.974 57.974 58.111 -0.137 25439 18644 1 25 . 1 1 118 118 SER CB C 118 64.479 64.479 63.940 0.539 25439 18645 1 25 . 1 1 118 118 SER H H 118 7.905 7.905 8.587 -0.682 25439 18646 1 25 . 1 1 119 119 THR N N 119 111.360 111.360 114.219 -2.859 25439 18647 1 25 . 1 1 119 119 THR HA H 119 4.450 4.450 4.698 -0.248 25439 18648 1 25 . 1 1 119 119 THR CA C 119 61.215 61.215 61.172 0.043 25439 18649 1 25 . 1 1 119 119 THR CB C 119 70.569 70.569 70.855 -0.286 25439 18650 1 25 . 1 1 119 119 THR H H 119 8.044 8.044 7.684 0.360 25439 18651 1 25 . 1 1 120 120 CYS N N 120 122.708 122.708 120.581 2.127 25439 18652 1 25 . 1 1 120 120 CYS HA H 120 4.255 4.255 4.779 -0.524 25439 18653 1 25 . 1 1 120 120 CYS CA C 120 61.469 61.469 57.642 3.827 25439 18654 1 25 . 1 1 120 120 CYS CB C 120 30.892 30.892 29.432 1.460 25439 18655 1 25 . 1 1 120 120 CYS H H 120 8.045 8.045 8.516 -0.471 25439 18656 1 25 . 1 1 121 121 ILE N N 121 132.463 132.463 123.821 8.642 25439 18657 1 25 . 1 1 121 121 ILE HA H 121 4.025 4.025 3.860 0.165 25439 18658 1 25 . 1 1 121 121 ILE CA C 121 63.353 63.353 63.025 0.328 25439 18659 1 25 . 1 1 121 121 ILE CB C 121 38.222 38.222 37.729 0.493 25439 18660 1 25 . 1 1 121 121 ILE H H 121 8.237 8.237 8.414 -0.177 25439 18661 1 25 . 1 1 122 122 CYS N N 122 123.931 123.931 117.521 6.410 25439 18662 1 25 . 1 1 122 122 CYS HA H 122 4.233 4.233 4.109 0.124 25439 18663 1 25 . 1 1 122 122 CYS CA C 122 60.230 60.230 60.227 0.003 25439 18664 1 25 . 1 1 122 122 CYS CB C 122 30.602 30.602 25.987 4.615 25439 18665 1 25 . 1 1 122 122 CYS H H 122 9.355 9.355 7.584 1.771 25439 18666 1 25 . 1 1 123 123 ARG N N 123 119.561 119.561 121.567 -2.006 25439 18667 1 25 . 1 1 123 123 ARG HA H 123 4.150 4.150 4.272 -0.122 25439 18668 1 25 . 1 1 123 123 ARG CA C 123 53.177 53.177 58.213 -5.036 25439 18669 1 25 . 1 1 123 123 ARG CB C 123 27.961 27.961 30.662 -2.701 25439 18670 1 25 . 1 1 123 123 ARG H H 123 7.677 7.677 7.518 0.159 25439 18671 1 25 . 1 1 124 124 VAL N N 124 122.794 122.794 120.395 2.399 25439 18672 1 25 . 1 1 124 124 VAL HA H 124 4.081 4.081 4.087 -0.006 25439 18673 1 25 . 1 1 124 124 VAL CA C 124 60.647 60.647 60.738 -0.091 25439 18674 1 25 . 1 1 124 124 VAL CB C 124 32.857 32.857 31.988 0.869 25439 18675 1 25 . 1 1 124 124 VAL H H 124 7.578 7.578 7.506 0.072 25439 18676 1 25 . 1 1 125 125 PRO HA H 125 4.263 4.263 4.542 -0.279 25439 18677 1 25 . 1 1 125 125 PRO CA C 125 63.268 63.268 62.312 0.956 25439 18678 1 25 . 1 1 125 125 PRO CB C 125 32.379 32.379 32.815 -0.436 25439 18679 1 25 . 1 1 126 126 ARG N N 126 128.350 128.350 119.994 8.356 25439 18680 1 25 . 1 1 126 126 ARG HA H 126 3.912 3.912 4.079 -0.167 25439 18681 1 25 . 1 1 126 126 ARG CA C 126 59.653 59.653 58.862 0.791 25439 18682 1 25 . 1 1 126 126 ARG CB C 126 29.339 29.339 29.784 -0.445 25439 18683 1 25 . 1 1 126 126 ARG H H 126 9.534 9.534 8.982 0.552 25439 18684 1 25 . 1 1 127 127 ALA N N 127 119.169 119.169 120.921 -1.752 25439 18685 1 25 . 1 1 127 127 ALA HA H 127 4.192 4.192 4.078 0.114 25439 18686 1 25 . 1 1 127 127 ALA CA C 127 55.227 55.227 55.020 0.207 25439 18687 1 25 . 1 1 127 127 ALA CB C 127 18.363 18.363 17.989 0.374 25439 18688 1 25 . 1 1 127 127 ALA H H 127 9.263 9.263 8.558 0.705 25439 18689 1 25 . 1 1 128 128 GLN N N 128 117.345 117.345 117.437 -0.092 25439 18690 1 25 . 1 1 128 128 GLN HA H 128 4.209 4.209 4.025 0.184 25439 18691 1 25 . 1 1 128 128 GLN CA C 128 58.506 58.506 58.723 -0.217 25439 18692 1 25 . 1 1 128 128 GLN CB C 128 28.220 28.220 28.142 0.078 25439 18693 1 25 . 1 1 128 128 GLN H H 128 7.448 7.448 8.158 -0.710 25439 18694 1 25 . 1 1 129 129 LEU N N 129 120.561 120.561 120.866 -0.305 25439 18695 1 25 . 1 1 129 129 LEU HA H 129 4.088 4.088 4.167 -0.079 25439 18696 1 25 . 1 1 129 129 LEU CA C 129 57.952 57.952 57.913 0.039 25439 18697 1 25 . 1 1 129 129 LEU CB C 129 41.817 41.817 42.039 -0.222 25439 18698 1 25 . 1 1 129 129 LEU H H 129 7.622 7.622 7.559 0.063 25439 18699 1 25 . 1 1 130 130 GLU N N 130 119.122 119.122 119.011 0.111 25439 18700 1 25 . 1 1 130 130 GLU HA H 130 3.956 3.956 3.920 0.036 25439 18701 1 25 . 1 1 130 130 GLU CA C 130 59.353 59.353 59.861 -0.508 25439 18702 1 25 . 1 1 130 130 GLU CB C 130 29.337 29.337 29.343 -0.006 25439 18703 1 25 . 1 1 130 130 GLU H H 130 8.656 8.656 8.449 0.207 25439 18704 1 25 . 1 1 131 131 GLU N N 131 121.469 121.469 118.477 2.992 25439 18705 1 25 . 1 1 131 131 GLU HA H 131 4.163 4.163 4.000 0.163 25439 18706 1 25 . 1 1 131 131 GLU CA C 131 59.288 59.288 59.514 -0.226 25439 18707 1 25 . 1 1 131 131 GLU CB C 131 29.422 29.422 29.417 0.005 25439 18708 1 25 . 1 1 131 131 GLU H H 131 7.922 7.922 7.840 0.082 25439 18709 1 25 . 1 1 132 132 GLU N N 132 119.241 119.241 119.735 -0.494 25439 18710 1 25 . 1 1 132 132 GLU HA H 132 3.998 3.998 4.056 -0.058 25439 18711 1 25 . 1 1 132 132 GLU CA C 132 59.327 59.327 59.368 -0.041 25439 18712 1 25 . 1 1 132 132 GLU CB C 132 29.421 29.421 28.965 0.456 25439 18713 1 25 . 1 1 132 132 GLU H H 132 8.099 8.099 7.657 0.443 25439 18714 1 25 . 1 1 133 133 ALA N N 133 121.302 121.302 122.031 -0.729 25439 18715 1 25 . 1 1 133 133 ALA HA H 133 4.053 4.053 4.079 -0.026 25439 18716 1 25 . 1 1 133 133 ALA CA C 133 54.973 54.973 55.187 -0.214 25439 18717 1 25 . 1 1 133 133 ALA CB C 133 18.154 18.154 18.340 -0.186 25439 18718 1 25 . 1 1 133 133 ALA H H 133 7.795 7.795 7.596 0.199 25439 18719 1 25 . 1 1 134 134 ARG N N 134 118.757 118.757 117.337 1.420 25439 18720 1 25 . 1 1 134 134 ARG HA H 134 4.143 4.143 4.055 0.088 25439 18721 1 25 . 1 1 134 134 ARG CA C 134 59.438 59.438 58.944 0.494 25439 18722 1 25 . 1 1 134 134 ARG CB C 134 30.148 30.148 30.323 -0.175 25439 18723 1 25 . 1 1 134 134 ARG H H 134 8.145 8.145 8.068 0.077 25439 18724 1 25 . 1 1 135 135 LYS N N 135 119.496 119.496 117.654 1.842 25439 18725 1 25 . 1 1 135 135 LYS HA H 135 4.073 4.073 4.251 -0.178 25439 18726 1 25 . 1 1 135 135 LYS CA C 135 59.327 59.327 58.383 0.944 25439 18727 1 25 . 1 1 135 135 LYS CB C 135 32.539 32.539 32.876 -0.337 25439 18728 1 25 . 1 1 135 135 LYS H H 135 8.036 8.036 7.857 0.179 25439 18729 1 25 . 1 1 136 136 LYS N N 136 116.645 116.645 117.344 -0.699 25439 18730 1 25 . 1 1 136 136 LYS HA H 136 4.362 4.362 4.256 0.106 25439 18731 1 25 . 1 1 136 136 LYS CA C 136 56.575 56.575 57.010 -0.435 25439 18732 1 25 . 1 1 136 136 LYS CB C 136 33.629 33.629 33.188 0.441 25439 18733 1 25 . 1 1 136 136 LYS H H 136 7.682 7.682 8.350 -0.668 25439 18734 1 25 . 1 1 137 137 GLY N N 137 109.349 109.349 108.139 1.210 25439 18735 1 25 . 1 1 137 137 GLY CA C 137 46.358 46.358 45.296 1.062 25439 18736 1 25 . 1 1 137 137 GLY H H 137 8.064 8.064 8.112 -0.048 25439 18737 1 25 . 1 1 138 138 THR N N 138 112.870 112.870 113.742 -0.872 25439 18738 1 25 . 1 1 138 138 THR HA H 138 4.735 4.735 4.621 0.114 25439 18739 1 25 . 1 1 138 138 THR CA C 138 59.308 59.308 60.740 -1.432 25439 18740 1 25 . 1 1 138 138 THR CB C 138 70.755 70.755 70.621 0.134 25439 18741 1 25 . 1 1 138 138 THR H H 138 8.111 8.111 7.873 0.238 25439 18742 1 25 . 1 1 139 139 GLN N N 139 118.177 118.177 119.609 -1.432 25439 18743 1 25 . 1 1 139 139 GLN HA H 139 4.609 4.609 4.617 -0.008 25439 18744 1 25 . 1 1 139 139 GLN CA C 139 54.435 54.435 55.021 -0.586 25439 18745 1 25 . 1 1 139 139 GLN CB C 139 30.777 30.777 30.875 -0.098 25439 18746 1 25 . 1 1 139 139 GLN H H 139 8.227 8.227 8.478 -0.251 25439 18747 1 25 . 1 1 140 140 VAL N N 140 123.601 123.601 121.827 1.774 25439 18748 1 25 . 1 1 140 140 VAL HA H 140 3.790 3.790 4.461 -0.671 25439 18749 1 25 . 1 1 140 140 VAL CA C 140 63.934 63.934 61.803 2.131 25439 18750 1 25 . 1 1 140 140 VAL CB C 140 32.154 32.154 33.227 -1.073 25439 18751 1 25 . 1 1 140 140 VAL H H 140 8.839 8.839 8.131 0.708 25439 18752 1 25 . 1 1 141 141 SER HA H 141 4.524 4.524 4.655 -0.131 25439 18753 1 25 . 1 1 141 141 SER CA C 141 57.841 57.841 58.267 -0.426 25439 18754 1 25 . 1 1 141 141 SER CB C 141 64.174 64.174 63.982 0.192 25439 18755 1 25 . 1 1 142 142 PHE N N 142 123.726 123.726 125.950 -2.224 25439 18756 1 25 . 1 1 142 142 PHE HA H 142 4.458 4.458 4.853 -0.395 25439 18757 1 25 . 1 1 142 142 PHE CA C 142 58.673 58.673 57.830 0.843 25439 18758 1 25 . 1 1 142 142 PHE CB C 142 40.055 40.055 40.781 -0.726 25439 18759 1 25 . 1 1 142 142 PHE H H 142 7.534 7.534 8.281 -0.747 25439 18760 1 25 . 1 1 143 143 HIS N N 143 126.548 126.548 119.462 7.086 25439 18761 1 25 . 1 1 143 143 HIS HA H 143 4.336 4.336 4.401 -0.065 25439 18762 1 25 . 1 1 143 143 HIS CA C 143 56.837 56.837 55.878 0.959 25439 18763 1 25 . 1 1 143 143 HIS CB C 143 31.949 31.949 32.181 -0.232 25439 18764 1 25 . 1 1 143 143 HIS H H 143 8.308 8.308 7.363 0.945 25439 18765 1 25 . 1 1 144 144 GLN N N 144 115.094 115.094 115.741 -0.647 25439 18766 1 25 . 1 1 144 144 GLN HA H 144 4.433 4.433 4.487 -0.054 25439 18767 1 25 . 1 1 144 144 GLN CA C 144 54.210 54.210 53.271 0.939 25439 18768 1 25 . 1 1 144 144 GLN CB C 144 32.925 32.925 32.113 0.812 25439 18769 1 25 . 1 1 144 144 GLN H H 144 7.203 7.203 7.025 0.178 25439 18770 1 25 . 1 1 145 145 CYS N N 145 123.088 123.088 118.587 4.501 25439 18771 1 25 . 1 1 145 145 CYS HA H 145 4.961 4.961 4.983 -0.022 25439 18772 1 25 . 1 1 145 145 CYS CA C 145 57.978 57.978 57.015 0.963 25439 18773 1 25 . 1 1 145 145 CYS CB C 145 33.555 33.555 29.969 3.586 25439 18774 1 25 . 1 1 145 145 CYS H H 145 8.668 8.668 8.610 0.058 25439 18775 1 25 . 1 1 146 146 VAL N N 146 113.265 113.265 121.342 -8.077 25439 18776 1 25 . 1 1 146 146 VAL HA H 146 4.238 4.238 4.180 0.058 25439 18777 1 25 . 1 1 146 146 VAL CA C 146 64.001 64.001 65.324 -1.323 25439 18778 1 25 . 1 1 146 146 VAL CB C 146 32.157 32.157 32.173 -0.016 25439 18779 1 25 . 1 1 146 146 VAL H H 146 8.198 8.198 8.477 -0.279 25439 18780 1 25 . 1 1 147 147 HIS N N 147 120.556 120.556 117.376 3.180 25439 18781 1 25 . 1 1 147 147 HIS HA H 147 4.604 4.604 4.376 0.228 25439 18782 1 25 . 1 1 147 147 HIS CA C 147 58.708 58.708 58.585 0.123 25439 18783 1 25 . 1 1 147 147 HIS CB C 147 32.204 32.204 29.496 2.708 25439 18784 1 25 . 1 1 147 147 HIS H H 147 7.151 7.151 8.393 -1.242 25439 18785 1 25 . 1 1 148 148 CYS N N 148 112.110 112.110 113.286 -1.176 25439 18786 1 25 . 1 1 148 148 CYS HA H 148 4.889 4.889 4.578 0.311 25439 18787 1 25 . 1 1 148 148 CYS CA C 148 57.952 57.952 55.645 2.307 25439 18788 1 25 . 1 1 148 148 CYS CB C 148 32.956 32.956 30.133 2.823 25439 18789 1 25 . 1 1 148 148 CYS H H 148 7.413 7.413 7.184 0.229 25439 18790 1 25 . 1 1 149 149 GLY N N 149 112.797 112.797 108.262 4.535 25439 18791 1 25 . 1 1 149 149 GLY CA C 149 45.327 45.327 44.481 0.846 25439 18792 1 25 . 1 1 149 149 GLY H H 149 6.949 6.949 8.344 -1.395 25439 18793 1 25 . 1 1 150 150 CYS N N 150 127.277 127.277 119.899 7.378 25439 18794 1 25 . 1 1 150 150 CYS HA H 150 3.932 3.932 4.540 -0.608 25439 18795 1 25 . 1 1 150 150 CYS CA C 150 61.362 61.362 57.116 4.246 25439 18796 1 25 . 1 1 150 150 CYS CB C 150 30.632 30.632 29.686 0.947 25439 18797 1 25 . 1 1 150 150 CYS H H 150 8.240 8.240 7.129 1.111 25439 18798 1 25 . 1 1 151 151 ARG N N 151 125.476 125.476 126.505 -1.029 25439 18799 1 25 . 1 1 151 151 ARG HA H 151 4.775 4.775 4.277 0.498 25439 18800 1 25 . 1 1 151 151 ARG CA C 151 56.164 56.164 54.964 1.200 25439 18801 1 25 . 1 1 151 151 ARG CB C 151 30.354 30.354 29.066 1.288 25439 18802 1 25 . 1 1 151 151 ARG H H 151 8.492 8.492 8.598 -0.106 25439 18803 1 25 . 1 1 152 152 GLY N N 152 117.275 117.275 108.365 8.910 25439 18804 1 25 . 1 1 152 152 GLY CA C 152 45.523 45.523 45.380 0.142 25439 18805 1 25 . 1 1 152 152 GLY H H 152 9.812 9.812 7.673 2.139 25439 18806 1 25 . 1 1 153 153 CYS N N 153 126.187 126.187 119.092 7.095 25439 18807 1 25 . 1 1 153 153 CYS HA H 153 4.842 4.842 4.784 0.058 25439 18808 1 25 . 1 1 153 153 CYS CA C 153 57.130 57.130 55.837 1.293 25439 18809 1 25 . 1 1 153 153 CYS CB C 153 31.368 31.368 27.678 3.690 25439 18810 1 25 . 1 1 153 153 CYS H H 153 8.930 8.930 8.236 0.694 25439 18811 1 25 . 1 1 154 154 ALA N N 154 125.869 125.869 126.127 -0.258 25439 18812 1 25 . 1 1 154 154 ALA HA H 154 4.159 4.159 4.909 -0.750 25439 18813 1 25 . 1 1 154 154 ALA CA C 154 53.187 53.187 51.590 1.597 25439 18814 1 25 . 1 1 154 154 ALA CB C 154 18.937 18.937 21.614 -2.677 25439 18815 1 25 . 1 1 154 154 ALA H H 154 8.616 8.616 8.281 0.335 25439 18816 1 25 . 1 1 155 155 SER N N 155 116.724 116.724 116.625 0.099 25439 18817 1 25 . 1 1 155 155 SER HA H 155 4.283 4.283 4.429 -0.146 25439 18818 1 25 . 1 1 155 155 SER CA C 155 60.136 60.136 60.868 -0.732 25439 18819 1 25 . 1 1 155 155 SER CB C 155 63.575 63.575 63.764 -0.189 25439 18820 1 25 . 1 1 155 155 SER H H 155 9.358 9.358 8.865 0.493 25439 18821 1 25 . 1 1 156 156 THR N N 156 111.893 111.893 116.020 -4.127 25439 18822 1 25 . 1 1 156 156 THR HA H 156 4.358 4.358 4.118 0.240 25439 18823 1 25 . 1 1 156 156 THR CA C 156 61.264 61.264 64.855 -3.591 25439 18824 1 25 . 1 1 156 156 THR CB C 156 69.999 69.999 68.947 1.052 25439 18825 1 25 . 1 1 156 156 THR H H 156 7.638 7.638 8.360 -0.722 25439 18826 1 26 . 1 1 0 0 GLY CA C 0 43.750 43.750 44.324 -0.574 25439 18827 1 26 . 1 1 1 1 SER N N 1 117.201 117.201 115.864 1.337 25439 18828 1 26 . 1 1 1 1 SER HA H 1 4.809 4.809 4.699 0.110 25439 18829 1 26 . 1 1 1 1 SER CA C 1 56.525 56.525 56.836 -0.311 25439 18830 1 26 . 1 1 1 1 SER CB C 1 63.385 63.385 64.259 -0.874 25439 18831 1 26 . 1 1 1 1 SER H H 1 8.381 8.381 8.303 0.078 25439 18832 1 26 . 1 1 2 2 PRO HA H 2 4.468 4.468 4.508 -0.040 25439 18833 1 26 . 1 1 2 2 PRO CA C 2 63.292 63.292 62.812 0.480 25439 18834 1 26 . 1 1 2 2 PRO CB C 2 32.174 32.174 32.165 0.009 25439 18835 1 26 . 1 1 3 3 ARG N N 3 121.649 121.649 124.568 -2.919 25439 18836 1 26 . 1 1 3 3 ARG HA H 3 4.324 4.324 4.594 -0.270 25439 18837 1 26 . 1 1 3 3 ARG CA C 3 56.226 56.226 55.851 0.375 25439 18838 1 26 . 1 1 3 3 ARG CB C 3 30.732 30.732 30.226 0.506 25439 18839 1 26 . 1 1 3 3 ARG H H 3 8.428 8.428 8.465 -0.037 25439 18840 1 26 . 1 1 4 4 ILE N N 4 122.500 122.500 123.055 -0.555 25439 18841 1 26 . 1 1 4 4 ILE HA H 4 4.181 4.181 4.318 -0.137 25439 18842 1 26 . 1 1 4 4 ILE CA C 4 60.943 60.943 60.905 0.038 25439 18843 1 26 . 1 1 4 4 ILE CB C 4 38.751 38.751 39.795 -1.044 25439 18844 1 26 . 1 1 4 4 ILE H H 4 8.165 8.165 8.308 -0.143 25439 18845 1 26 . 1 1 5 5 LYS N N 5 126.237 126.237 127.784 -1.547 25439 18846 1 26 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.652 -0.250 25439 18847 1 26 . 1 1 5 5 LYS CA C 5 56.422 56.422 56.115 0.307 25439 18848 1 26 . 1 1 5 5 LYS CB C 5 33.130 33.130 33.517 -0.387 25439 18849 1 26 . 1 1 5 5 LYS H H 5 8.500 8.500 8.455 0.045 25439 18850 1 26 . 1 1 6 6 THR N N 6 116.495 116.495 115.466 1.029 25439 18851 1 26 . 1 1 6 6 THR HA H 6 4.323 4.323 4.500 -0.177 25439 18852 1 26 . 1 1 6 6 THR CA C 6 61.918 61.918 61.612 0.306 25439 18853 1 26 . 1 1 6 6 THR CB C 6 69.963 69.963 70.365 -0.402 25439 18854 1 26 . 1 1 6 6 THR H H 6 8.194 8.194 8.390 -0.196 25439 18855 1 26 . 1 1 7 7 ARG N N 7 124.128 124.128 124.722 -0.594 25439 18856 1 26 . 1 1 7 7 ARG HA H 7 4.396 4.396 4.521 -0.125 25439 18857 1 26 . 1 1 7 7 ARG CA C 7 56.128 56.128 55.529 0.599 25439 18858 1 26 . 1 1 7 7 ARG CB C 7 30.953 30.953 29.471 1.482 25439 18859 1 26 . 1 1 7 7 ARG H H 7 8.458 8.458 8.586 -0.128 25439 18860 1 26 . 1 1 8 8 ARG N N 8 123.384 123.384 122.462 0.922 25439 18861 1 26 . 1 1 8 8 ARG HA H 8 4.424 4.424 4.695 -0.271 25439 18862 1 26 . 1 1 8 8 ARG CA C 8 56.011 56.011 55.601 0.410 25439 18863 1 26 . 1 1 8 8 ARG CB C 8 31.058 31.058 31.960 -0.902 25439 18864 1 26 . 1 1 8 8 ARG H H 8 8.526 8.526 8.656 -0.130 25439 18865 1 26 . 1 1 9 9 SER N N 9 118.446 118.446 117.189 1.257 25439 18866 1 26 . 1 1 9 9 SER HA H 9 4.473 4.473 4.932 -0.459 25439 18867 1 26 . 1 1 9 9 SER CA C 9 58.568 58.568 57.791 0.777 25439 18868 1 26 . 1 1 9 9 SER CB C 9 63.986 63.986 64.694 -0.708 25439 18869 1 26 . 1 1 9 9 SER H H 9 8.450 8.450 8.307 0.143 25439 18870 1 26 . 1 1 10 10 LYS N N 10 124.117 124.117 120.536 3.581 25439 18871 1 26 . 1 1 10 10 LYS HA H 10 4.673 4.673 4.730 -0.057 25439 18872 1 26 . 1 1 10 10 LYS CA C 10 54.412 54.412 54.830 -0.418 25439 18873 1 26 . 1 1 10 10 LYS CB C 10 32.693 32.693 32.589 0.104 25439 18874 1 26 . 1 1 10 10 LYS H H 10 8.426 8.426 8.444 -0.018 25439 18875 1 26 . 1 1 11 11 PRO HA H 11 4.360 4.360 4.447 -0.087 25439 18876 1 26 . 1 1 11 11 PRO CA C 11 62.861 62.861 62.690 0.171 25439 18877 1 26 . 1 1 11 11 PRO CB C 11 32.106 32.106 32.567 -0.461 25439 18878 1 26 . 1 1 12 12 ALA N N 12 124.420 124.420 123.031 1.389 25439 18879 1 26 . 1 1 12 12 ALA HA H 12 2.889 2.889 3.335 -0.446 25439 18880 1 26 . 1 1 12 12 ALA CA C 12 49.735 49.735 49.039 0.696 25439 18881 1 26 . 1 1 12 12 ALA CB C 12 18.066 18.066 17.032 1.034 25439 18882 1 26 . 1 1 12 12 ALA H H 12 7.890 7.890 7.705 0.185 25439 18883 1 26 . 1 1 13 13 PRO HA H 13 4.207 4.207 4.469 -0.262 25439 18884 1 26 . 1 1 13 13 PRO CA C 13 62.111 62.111 61.932 0.179 25439 18885 1 26 . 1 1 13 13 PRO CB C 13 32.582 32.582 32.374 0.208 25439 18886 1 26 . 1 1 14 14 ASP N N 14 119.535 119.535 120.342 -0.807 25439 18887 1 26 . 1 1 14 14 ASP HA H 14 4.379 4.379 4.284 0.095 25439 18888 1 26 . 1 1 14 14 ASP CA C 14 56.427 56.427 57.886 -1.459 25439 18889 1 26 . 1 1 14 14 ASP CB C 14 41.177 41.177 40.580 0.597 25439 18890 1 26 . 1 1 14 14 ASP H H 14 8.206 8.206 8.624 -0.418 25439 18891 1 26 . 1 1 15 15 GLY N N 15 113.273 113.273 108.168 5.105 25439 18892 1 26 . 1 1 15 15 GLY CA C 15 45.146 45.146 46.767 -1.621 25439 18893 1 26 . 1 1 15 15 GLY H H 15 8.723 8.723 8.430 0.293 25439 18894 1 26 . 1 1 16 16 PHE N N 16 123.113 123.113 122.600 0.513 25439 18895 1 26 . 1 1 16 16 PHE HA H 16 4.125 4.125 4.256 -0.131 25439 18896 1 26 . 1 1 16 16 PHE CA C 16 60.715 60.715 59.487 1.228 25439 18897 1 26 . 1 1 16 16 PHE CB C 16 39.639 39.639 39.077 0.562 25439 18898 1 26 . 1 1 16 16 PHE H H 16 8.127 8.127 8.254 -0.127 25439 18899 1 26 . 1 1 17 17 GLU N N 17 115.695 115.695 119.393 -3.698 25439 18900 1 26 . 1 1 17 17 GLU HA H 17 3.768 3.768 3.816 -0.048 25439 18901 1 26 . 1 1 17 17 GLU CA C 17 59.234 59.234 59.394 -0.160 25439 18902 1 26 . 1 1 17 17 GLU CB C 17 28.495 28.495 29.337 -0.842 25439 18903 1 26 . 1 1 17 17 GLU H H 17 9.088 9.088 8.188 0.900 25439 18904 1 26 . 1 1 18 18 LYS N N 18 115.887 115.887 117.269 -1.382 25439 18905 1 26 . 1 1 18 18 LYS HA H 18 4.165 4.165 4.090 0.075 25439 18906 1 26 . 1 1 18 18 LYS CA C 18 58.249 58.249 58.771 -0.522 25439 18907 1 26 . 1 1 18 18 LYS CB C 18 32.725 32.725 32.834 -0.109 25439 18908 1 26 . 1 1 18 18 LYS H H 18 7.285 7.285 7.836 -0.551 25439 18909 1 26 . 1 1 19 19 ILE N N 19 110.277 110.277 110.326 -0.049 25439 18910 1 26 . 1 1 19 19 ILE HA H 19 4.722 4.722 4.759 -0.037 25439 18911 1 26 . 1 1 19 19 ILE CA C 19 61.093 61.093 59.704 1.389 25439 18912 1 26 . 1 1 19 19 ILE CB C 19 39.139 39.139 37.932 1.206 25439 18913 1 26 . 1 1 19 19 ILE H H 19 7.031 7.031 7.500 -0.469 25439 18914 1 26 . 1 1 20 20 LYS N N 20 124.540 124.540 122.596 1.944 25439 18915 1 26 . 1 1 20 20 LYS HA H 20 3.603 3.603 3.758 -0.155 25439 18916 1 26 . 1 1 20 20 LYS CA C 20 60.917 60.917 59.794 1.123 25439 18917 1 26 . 1 1 20 20 LYS CB C 20 30.210 30.210 30.427 -0.217 25439 18918 1 26 . 1 1 20 20 LYS H H 20 7.666 7.666 7.485 0.181 25439 18919 1 26 . 1 1 21 21 PRO HA H 21 4.292 4.292 4.554 -0.262 25439 18920 1 26 . 1 1 21 21 PRO CA C 21 66.990 66.990 65.119 1.871 25439 18921 1 26 . 1 1 21 21 PRO CB C 21 30.779 30.779 31.466 -0.687 25439 18922 1 26 . 1 1 22 22 THR N N 22 114.917 114.917 115.318 -0.401 25439 18923 1 26 . 1 1 22 22 THR HA H 22 3.866 3.866 4.054 -0.188 25439 18924 1 26 . 1 1 22 22 THR CA C 22 66.575 66.575 67.078 -0.503 25439 18925 1 26 . 1 1 22 22 THR CB C 22 68.731 68.731 68.345 0.386 25439 18926 1 26 . 1 1 22 22 THR H H 22 7.331 7.331 8.411 -1.080 25439 18927 1 26 . 1 1 23 23 LEU N N 23 120.152 120.152 120.450 -0.298 25439 18928 1 26 . 1 1 23 23 LEU HA H 23 4.397 4.397 4.124 0.273 25439 18929 1 26 . 1 1 23 23 LEU CA C 23 58.740 58.740 57.755 0.985 25439 18930 1 26 . 1 1 23 23 LEU CB C 23 40.489 40.489 42.020 -1.531 25439 18931 1 26 . 1 1 23 23 LEU H H 23 7.991 7.991 7.587 0.404 25439 18932 1 26 . 1 1 24 24 THR N N 24 119.365 119.365 115.068 4.297 25439 18933 1 26 . 1 1 24 24 THR HA H 24 4.095 4.095 3.976 0.119 25439 18934 1 26 . 1 1 24 24 THR CA C 24 66.834 66.834 66.480 0.354 25439 18935 1 26 . 1 1 24 24 THR CB C 24 68.614 68.614 68.548 0.066 25439 18936 1 26 . 1 1 24 24 THR H H 24 9.175 9.175 7.448 1.727 25439 18937 1 26 . 1 1 25 25 ASP N N 25 122.865 122.865 122.106 0.759 25439 18938 1 26 . 1 1 25 25 ASP HA H 25 4.483 4.483 4.351 0.132 25439 18939 1 26 . 1 1 25 25 ASP CA C 25 58.158 58.158 57.044 1.114 25439 18940 1 26 . 1 1 25 25 ASP CB C 25 40.329 40.329 40.510 -0.181 25439 18941 1 26 . 1 1 25 25 ASP H H 25 7.714 7.714 7.893 -0.179 25439 18942 1 26 . 1 1 26 26 PHE N N 26 116.182 116.182 118.228 -2.046 25439 18943 1 26 . 1 1 26 26 PHE HA H 26 4.457 4.457 4.163 0.294 25439 18944 1 26 . 1 1 26 26 PHE CA C 26 62.531 62.531 61.718 0.812 25439 18945 1 26 . 1 1 26 26 PHE CB C 26 39.468 39.468 39.013 0.455 25439 18946 1 26 . 1 1 26 26 PHE H H 26 7.816 7.816 7.703 0.113 25439 18947 1 26 . 1 1 27 27 GLU N N 27 120.107 120.107 119.016 1.091 25439 18948 1 26 . 1 1 27 27 GLU HA H 27 4.113 4.113 4.001 0.112 25439 18949 1 26 . 1 1 27 27 GLU CA C 27 59.852 59.852 59.641 0.211 25439 18950 1 26 . 1 1 27 27 GLU CB C 27 29.692 29.692 29.466 0.226 25439 18951 1 26 . 1 1 27 27 GLU H H 27 8.068 8.068 7.951 0.117 25439 18952 1 26 . 1 1 28 28 ILE N N 28 121.494 121.494 120.010 1.484 25439 18953 1 26 . 1 1 28 28 ILE HA H 28 3.718 3.718 3.703 0.015 25439 18954 1 26 . 1 1 28 28 ILE CA C 28 65.002 65.002 65.078 -0.076 25439 18955 1 26 . 1 1 28 28 ILE CB C 28 38.023 38.023 37.843 0.180 25439 18956 1 26 . 1 1 28 28 ILE H H 28 8.531 8.531 7.557 0.974 25439 18957 1 26 . 1 1 29 29 GLN N N 29 118.941 118.941 120.095 -1.154 25439 18958 1 26 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.052 0.128 25439 18959 1 26 . 1 1 29 29 GLN CA C 29 59.507 59.507 58.903 0.604 25439 18960 1 26 . 1 1 29 29 GLN CB C 29 29.783 29.783 28.670 1.113 25439 18961 1 26 . 1 1 29 29 GLN H H 29 8.117 8.117 7.482 0.635 25439 18962 1 26 . 1 1 30 30 LEU N N 30 121.724 121.724 120.903 0.821 25439 18963 1 26 . 1 1 30 30 LEU HA H 30 4.032 4.032 3.958 0.074 25439 18964 1 26 . 1 1 30 30 LEU CA C 30 58.333 58.333 58.543 -0.210 25439 18965 1 26 . 1 1 30 30 LEU CB C 30 42.339 42.339 41.923 0.416 25439 18966 1 26 . 1 1 30 30 LEU H H 30 8.677 8.677 8.352 0.325 25439 18967 1 26 . 1 1 31 31 ARG N N 31 120.629 120.629 119.819 0.810 25439 18968 1 26 . 1 1 31 31 ARG HA H 31 4.105 4.105 4.151 -0.046 25439 18969 1 26 . 1 1 31 31 ARG CA C 31 59.340 59.340 59.896 -0.556 25439 18970 1 26 . 1 1 31 31 ARG CB C 31 30.044 30.044 29.827 0.217 25439 18971 1 26 . 1 1 31 31 ARG H H 31 8.227 8.227 8.544 -0.317 25439 18972 1 26 . 1 1 32 32 ASP N N 32 120.233 120.233 119.733 0.500 25439 18973 1 26 . 1 1 32 32 ASP HA H 32 4.484 4.484 4.387 0.097 25439 18974 1 26 . 1 1 32 32 ASP CA C 32 57.199 57.199 57.487 -0.288 25439 18975 1 26 . 1 1 32 32 ASP CB C 32 40.202 40.202 40.495 -0.293 25439 18976 1 26 . 1 1 32 32 ASP H H 32 8.407 8.407 7.656 0.751 25439 18977 1 26 . 1 1 33 33 ALA N N 33 121.939 121.939 122.951 -1.012 25439 18978 1 26 . 1 1 33 33 ALA HA H 33 4.321 4.321 3.852 0.469 25439 18979 1 26 . 1 1 33 33 ALA CA C 33 54.207 54.207 55.273 -1.066 25439 18980 1 26 . 1 1 33 33 ALA CB C 33 18.738 18.738 18.319 0.419 25439 18981 1 26 . 1 1 33 33 ALA H H 33 8.057 8.057 7.617 0.440 25439 18982 1 26 . 1 1 34 34 GLN N N 34 114.736 114.736 117.551 -2.815 25439 18983 1 26 . 1 1 34 34 GLN HA H 34 4.248 4.248 3.941 0.307 25439 18984 1 26 . 1 1 34 34 GLN CA C 34 56.567 56.567 59.115 -2.548 25439 18985 1 26 . 1 1 34 34 GLN CB C 34 29.743 29.743 28.733 1.010 25439 18986 1 26 . 1 1 34 34 GLN H H 34 7.746 7.746 8.673 -0.927 25439 18987 1 26 . 1 1 35 35 LYS N N 35 120.534 120.534 118.390 2.144 25439 18988 1 26 . 1 1 35 35 LYS HA H 35 4.232 4.232 4.420 -0.188 25439 18989 1 26 . 1 1 35 35 LYS CA C 35 57.427 57.427 58.022 -0.595 25439 18990 1 26 . 1 1 35 35 LYS CB C 35 32.887 32.887 32.562 0.325 25439 18991 1 26 . 1 1 35 35 LYS H H 35 7.570 7.570 7.818 -0.248 25439 18992 1 26 . 1 1 36 36 ASP N N 36 120.943 120.943 120.385 0.558 25439 18993 1 26 . 1 1 36 36 ASP HA H 36 4.595 4.595 4.351 0.244 25439 18994 1 26 . 1 1 36 36 ASP CA C 36 54.983 54.983 57.736 -2.753 25439 18995 1 26 . 1 1 36 36 ASP CB C 36 41.129 41.129 40.962 0.167 25439 18996 1 26 . 1 1 36 36 ASP H H 36 8.375 8.375 8.696 -0.321 25439 18997 1 26 . 1 1 37 37 LYS N N 37 122.598 122.598 118.452 4.146 25439 18998 1 26 . 1 1 37 37 LYS HA H 37 4.365 4.365 4.152 0.213 25439 18999 1 26 . 1 1 37 37 LYS CA C 37 56.725 56.725 58.578 -1.853 25439 19000 1 26 . 1 1 37 37 LYS CB C 37 32.823 32.823 32.877 -0.054 25439 19001 1 26 . 1 1 37 37 LYS H H 37 8.446 8.446 7.791 0.655 25439 19002 1 26 . 1 1 38 38 SER N N 38 115.849 115.849 114.088 1.761 25439 19003 1 26 . 1 1 38 38 SER HA H 38 4.423 4.423 4.354 0.069 25439 19004 1 26 . 1 1 38 38 SER CA C 38 59.193 59.193 60.547 -1.354 25439 19005 1 26 . 1 1 38 38 SER CB C 38 63.744 63.744 63.327 0.417 25439 19006 1 26 . 1 1 38 38 SER H H 38 8.392 8.392 7.665 0.727 25439 19007 1 26 . 1 1 39 39 SER N N 39 117.258 117.258 117.273 -0.015 25439 19008 1 26 . 1 1 39 39 SER HA H 39 4.445 4.445 4.327 0.118 25439 19009 1 26 . 1 1 39 39 SER CA C 39 58.933 58.933 61.152 -2.219 25439 19010 1 26 . 1 1 39 39 SER CB C 39 63.711 63.711 63.860 -0.149 25439 19011 1 26 . 1 1 39 39 SER H H 39 8.283 8.283 8.290 -0.007 25439 19012 1 26 . 1 1 40 40 LYS N N 40 122.427 122.427 120.658 1.769 25439 19013 1 26 . 1 1 40 40 LYS HA H 40 4.321 4.321 4.468 -0.147 25439 19014 1 26 . 1 1 40 40 LYS CA C 40 56.847 56.847 55.194 1.653 25439 19015 1 26 . 1 1 40 40 LYS CB C 40 32.764 32.764 34.017 -1.254 25439 19016 1 26 . 1 1 40 40 LYS H H 40 8.263 8.263 7.540 0.723 25439 19017 1 26 . 1 1 41 41 LEU N N 41 121.281 121.281 125.240 -3.959 25439 19018 1 26 . 1 1 41 41 LEU HA H 41 4.308 4.308 4.623 -0.315 25439 19019 1 26 . 1 1 41 41 LEU CA C 41 55.335 55.335 55.365 -0.030 25439 19020 1 26 . 1 1 41 41 LEU CB C 41 42.212 42.212 42.122 0.090 25439 19021 1 26 . 1 1 41 41 LEU H H 41 8.068 8.068 8.808 -0.740 25439 19022 1 26 . 1 1 42 42 ALA N N 42 123.964 123.964 124.034 -0.070 25439 19023 1 26 . 1 1 42 42 ALA HA H 42 4.274 4.274 4.599 -0.325 25439 19024 1 26 . 1 1 42 42 ALA CA C 42 52.851 52.851 52.502 0.349 25439 19025 1 26 . 1 1 42 42 ALA CB C 42 19.135 19.135 19.624 -0.489 25439 19026 1 26 . 1 1 42 42 ALA H H 42 8.111 8.111 8.639 -0.528 25439 19027 1 26 . 1 1 43 43 ALA N N 43 122.146 122.146 121.312 0.834 25439 19028 1 26 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.698 -0.401 25439 19029 1 26 . 1 1 43 43 ALA CA C 43 52.727 52.727 51.599 1.128 25439 19030 1 26 . 1 1 43 43 ALA CB C 43 19.318 19.318 20.034 -0.716 25439 19031 1 26 . 1 1 43 43 ALA H H 43 8.101 8.101 7.641 0.460 25439 19032 1 26 . 1 1 44 44 LYS N N 44 119.454 119.454 120.173 -0.719 25439 19033 1 26 . 1 1 44 44 LYS HA H 44 4.349 4.349 3.910 0.439 25439 19034 1 26 . 1 1 44 44 LYS CA C 44 56.267 56.267 56.668 -0.401 25439 19035 1 26 . 1 1 44 44 LYS CB C 44 32.825 32.825 31.852 0.973 25439 19036 1 26 . 1 1 44 44 LYS H H 44 8.198 8.198 8.677 -0.479 25439 19037 1 26 . 1 1 45 45 SER N N 45 116.660 116.660 113.474 3.186 25439 19038 1 26 . 1 1 45 45 SER HA H 45 4.368 4.368 4.401 -0.033 25439 19039 1 26 . 1 1 45 45 SER CA C 45 58.477 58.477 59.850 -1.373 25439 19040 1 26 . 1 1 45 45 SER CB C 45 64.063 64.063 64.538 -0.475 25439 19041 1 26 . 1 1 45 45 SER H H 45 8.251 8.251 8.240 0.011 25439 19042 1 26 . 1 1 46 46 ASN N N 46 120.516 120.516 120.003 0.513 25439 19043 1 26 . 1 1 46 46 ASN HA H 46 4.361 4.361 4.246 0.115 25439 19044 1 26 . 1 1 46 46 ASN CA C 46 54.657 54.657 55.914 -1.257 25439 19045 1 26 . 1 1 46 46 ASN CB C 46 37.649 37.649 37.726 -0.077 25439 19046 1 26 . 1 1 46 46 ASN H H 46 8.498 8.498 8.577 -0.079 25439 19047 1 26 . 1 1 47 47 GLU N N 47 117.964 117.964 117.258 0.706 25439 19048 1 26 . 1 1 47 47 GLU HA H 47 3.350 3.350 2.889 0.461 25439 19049 1 26 . 1 1 47 47 GLU CA C 47 59.213 59.213 59.163 0.050 25439 19050 1 26 . 1 1 47 47 GLU CB C 47 28.998 28.998 28.812 0.186 25439 19051 1 26 . 1 1 47 47 GLU H H 47 8.016 8.016 8.257 -0.241 25439 19052 1 26 . 1 1 48 48 GLN N N 48 119.468 119.468 119.294 0.174 25439 19053 1 26 . 1 1 48 48 GLN HA H 48 4.250 4.250 4.060 0.190 25439 19054 1 26 . 1 1 48 48 GLN CA C 48 58.529 58.529 58.315 0.214 25439 19055 1 26 . 1 1 48 48 GLN CB C 48 28.902 28.902 28.050 0.852 25439 19056 1 26 . 1 1 48 48 GLN H H 48 7.892 7.892 7.234 0.658 25439 19057 1 26 . 1 1 49 49 LEU N N 49 120.145 120.145 120.001 0.144 25439 19058 1 26 . 1 1 49 49 LEU HA H 49 4.232 4.232 3.988 0.244 25439 19059 1 26 . 1 1 49 49 LEU CA C 49 57.479 57.479 57.634 -0.155 25439 19060 1 26 . 1 1 49 49 LEU CB C 49 41.391 41.391 41.630 -0.239 25439 19061 1 26 . 1 1 49 49 LEU H H 49 7.699 7.699 7.584 0.115 25439 19062 1 26 . 1 1 50 50 TRP N N 50 119.596 119.596 117.859 1.737 25439 19063 1 26 . 1 1 50 50 TRP HA H 50 4.520 4.520 4.384 0.136 25439 19064 1 26 . 1 1 50 50 TRP CA C 50 58.353 58.353 58.642 -0.289 25439 19065 1 26 . 1 1 50 50 TRP CB C 50 28.880 28.880 28.223 0.657 25439 19066 1 26 . 1 1 50 50 TRP H H 50 8.385 8.385 8.000 0.385 25439 19067 1 26 . 1 1 51 51 GLU N N 51 119.362 119.362 119.303 0.059 25439 19068 1 26 . 1 1 51 51 GLU HA H 51 4.145 4.145 4.131 0.014 25439 19069 1 26 . 1 1 51 51 GLU CA C 51 60.035 60.035 59.586 0.449 25439 19070 1 26 . 1 1 51 51 GLU CB C 51 29.675 29.675 29.337 0.338 25439 19071 1 26 . 1 1 51 51 GLU H H 51 8.223 8.223 7.862 0.361 25439 19072 1 26 . 1 1 52 52 ILE N N 52 119.018 119.018 119.172 -0.154 25439 19073 1 26 . 1 1 52 52 ILE HA H 52 3.673 3.673 3.728 -0.055 25439 19074 1 26 . 1 1 52 52 ILE CA C 52 65.511 65.511 65.064 0.448 25439 19075 1 26 . 1 1 52 52 ILE CB C 52 38.532 38.532 38.166 0.366 25439 19076 1 26 . 1 1 52 52 ILE H H 52 7.801 7.801 7.274 0.527 25439 19077 1 26 . 1 1 53 53 MET N N 53 118.133 118.133 116.320 1.813 25439 19078 1 26 . 1 1 53 53 MET HA H 53 4.452 4.452 4.049 0.403 25439 19079 1 26 . 1 1 53 53 MET CA C 53 58.216 58.216 58.467 -0.251 25439 19080 1 26 . 1 1 53 53 MET CB C 53 31.838 31.838 31.576 0.262 25439 19081 1 26 . 1 1 53 53 MET H H 53 8.411 8.411 7.978 0.433 25439 19082 1 26 . 1 1 54 54 GLN N N 54 120.855 120.855 118.423 2.432 25439 19083 1 26 . 1 1 54 54 GLN HA H 54 4.333 4.333 4.063 0.270 25439 19084 1 26 . 1 1 54 54 GLN CA C 54 59.004 59.004 58.789 0.215 25439 19085 1 26 . 1 1 54 54 GLN CB C 54 27.824 27.824 28.627 -0.803 25439 19086 1 26 . 1 1 54 54 GLN H H 54 8.860 8.860 8.253 0.607 25439 19087 1 26 . 1 1 55 55 LEU N N 55 122.788 122.788 119.322 3.466 25439 19088 1 26 . 1 1 55 55 LEU HA H 55 4.302 4.302 4.409 -0.107 25439 19089 1 26 . 1 1 55 55 LEU CA C 55 58.685 58.685 57.339 1.347 25439 19090 1 26 . 1 1 55 55 LEU CB C 55 42.695 42.695 40.861 1.834 25439 19091 1 26 . 1 1 55 55 LEU H H 55 8.298 8.298 7.896 0.402 25439 19092 1 26 . 1 1 56 56 HIS N N 56 118.426 118.426 118.321 0.105 25439 19093 1 26 . 1 1 56 56 HIS HA H 56 4.317 4.317 4.229 0.088 25439 19094 1 26 . 1 1 56 56 HIS CA C 56 60.732 60.732 60.161 0.571 25439 19095 1 26 . 1 1 56 56 HIS CB C 56 30.530 30.530 29.729 0.801 25439 19096 1 26 . 1 1 56 56 HIS H H 56 8.416 8.416 7.826 0.590 25439 19097 1 26 . 1 1 57 57 HIS N N 57 121.197 121.197 119.583 1.614 25439 19098 1 26 . 1 1 57 57 HIS HA H 57 4.318 4.318 4.558 -0.240 25439 19099 1 26 . 1 1 57 57 HIS CA C 57 60.739 60.739 58.790 1.949 25439 19100 1 26 . 1 1 57 57 HIS CB C 57 28.726 28.726 30.209 -1.483 25439 19101 1 26 . 1 1 57 57 HIS H H 57 8.608 8.608 8.027 0.581 25439 19102 1 26 . 1 1 58 58 GLN N N 58 118.739 118.739 118.715 0.024 25439 19103 1 26 . 1 1 58 58 GLN HA H 58 4.202 4.202 4.113 0.089 25439 19104 1 26 . 1 1 58 58 GLN CA C 58 59.507 59.507 59.438 0.069 25439 19105 1 26 . 1 1 58 58 GLN CB C 58 29.111 29.111 28.585 0.526 25439 19106 1 26 . 1 1 58 58 GLN H H 58 9.206 9.206 8.149 1.057 25439 19107 1 26 . 1 1 59 59 ARG N N 59 122.498 122.498 119.262 3.236 25439 19108 1 26 . 1 1 59 59 ARG HA H 59 3.437 3.437 3.792 -0.355 25439 19109 1 26 . 1 1 59 59 ARG CA C 59 60.361 60.361 58.500 1.861 25439 19110 1 26 . 1 1 59 59 ARG H H 59 8.623 8.623 8.468 0.155 25439 19111 1 26 . 1 1 60 60 SER N N 60 114.930 114.930 115.402 -0.472 25439 19112 1 26 . 1 1 60 60 SER HA H 60 4.515 4.515 4.287 0.228 25439 19113 1 26 . 1 1 60 60 SER CA C 60 64.832 64.832 62.039 2.793 25439 19114 1 26 . 1 1 60 60 SER CB C 60 63.583 63.583 62.864 0.719 25439 19115 1 26 . 1 1 60 60 SER H H 60 7.993 7.993 8.377 -0.384 25439 19116 1 26 . 1 1 61 61 ARG N N 61 124.417 124.417 122.462 1.955 25439 19117 1 26 . 1 1 61 61 ARG HA H 61 4.204 4.204 4.013 0.191 25439 19118 1 26 . 1 1 61 61 ARG CA C 61 58.852 58.852 59.759 -0.907 25439 19119 1 26 . 1 1 61 61 ARG CB C 61 29.077 29.077 30.240 -1.163 25439 19120 1 26 . 1 1 61 61 ARG H H 61 9.569 9.569 8.562 1.007 25439 19121 1 26 . 1 1 62 62 TYR N N 62 124.484 124.484 121.142 3.342 25439 19122 1 26 . 1 1 62 62 TYR HA H 62 4.676 4.676 4.293 0.383 25439 19123 1 26 . 1 1 62 62 TYR CA C 62 61.006 61.006 61.998 -0.992 25439 19124 1 26 . 1 1 62 62 TYR CB C 62 38.392 38.392 38.687 -0.295 25439 19125 1 26 . 1 1 62 62 TYR H H 62 8.622 8.622 8.309 0.313 25439 19126 1 26 . 1 1 63 63 ILE N N 63 119.789 119.789 119.048 0.741 25439 19127 1 26 . 1 1 63 63 ILE HA H 63 3.492 3.492 3.771 -0.279 25439 19128 1 26 . 1 1 63 63 ILE CA C 63 65.693 65.693 65.622 0.071 25439 19129 1 26 . 1 1 63 63 ILE CB C 63 38.023 38.023 38.208 -0.185 25439 19130 1 26 . 1 1 63 63 ILE H H 63 7.588 7.588 8.242 -0.654 25439 19131 1 26 . 1 1 64 64 TYR N N 64 120.485 120.485 121.236 -0.751 25439 19132 1 26 . 1 1 64 64 TYR HA H 64 4.577 4.577 4.262 0.315 25439 19133 1 26 . 1 1 64 64 TYR CA C 64 61.759 61.759 62.549 -0.790 25439 19134 1 26 . 1 1 64 64 TYR CB C 64 39.772 39.772 38.745 1.027 25439 19135 1 26 . 1 1 64 64 TYR H H 64 9.166 9.166 9.210 -0.044 25439 19136 1 26 . 1 1 65 65 THR N N 65 117.072 117.072 117.097 -0.025 25439 19137 1 26 . 1 1 65 65 THR HA H 65 3.562 3.562 4.025 -0.463 25439 19138 1 26 . 1 1 65 65 THR CA C 65 67.016 67.016 67.660 -0.644 25439 19139 1 26 . 1 1 65 65 THR CB C 65 68.711 68.711 68.864 -0.153 25439 19140 1 26 . 1 1 65 65 THR H H 65 8.987 8.987 8.932 0.055 25439 19141 1 26 . 1 1 66 66 LEU N N 66 122.107 122.107 120.555 1.552 25439 19142 1 26 . 1 1 66 66 LEU HA H 66 3.782 3.782 4.267 -0.485 25439 19143 1 26 . 1 1 66 66 LEU CA C 66 58.476 58.476 58.180 0.296 25439 19144 1 26 . 1 1 66 66 LEU CB C 66 43.183 43.183 40.899 2.284 25439 19145 1 26 . 1 1 66 66 LEU H H 66 8.286 8.286 7.725 0.561 25439 19146 1 26 . 1 1 67 67 TYR N N 67 115.264 115.264 119.359 -4.095 25439 19147 1 26 . 1 1 67 67 TYR HA H 67 4.344 4.344 4.079 0.265 25439 19148 1 26 . 1 1 67 67 TYR CA C 67 60.830 60.830 61.324 -0.494 25439 19149 1 26 . 1 1 67 67 TYR CB C 67 40.376 40.376 39.601 0.775 25439 19150 1 26 . 1 1 67 67 TYR H H 67 7.983 7.983 8.255 -0.272 25439 19151 1 26 . 1 1 68 68 TYR N N 68 113.945 113.945 116.377 -2.432 25439 19152 1 26 . 1 1 68 68 TYR HA H 68 3.699 3.699 4.224 -0.525 25439 19153 1 26 . 1 1 68 68 TYR CA C 68 62.030 62.030 59.746 2.284 25439 19154 1 26 . 1 1 68 68 TYR CB C 68 38.046 38.046 38.224 -0.178 25439 19155 1 26 . 1 1 68 68 TYR H H 68 8.297 8.297 8.267 0.030 25439 19156 1 26 . 1 1 69 69 LYS N N 69 114.346 114.346 118.229 -3.883 25439 19157 1 26 . 1 1 69 69 LYS HA H 69 4.564 4.564 4.421 0.143 25439 19158 1 26 . 1 1 69 69 LYS CA C 69 56.821 56.821 56.697 0.124 25439 19159 1 26 . 1 1 69 69 LYS CB C 69 31.980 31.980 33.698 -1.718 25439 19160 1 26 . 1 1 69 69 LYS H H 69 7.084 7.084 7.571 -0.487 25439 19161 1 26 . 1 1 70 70 ARG N N 70 114.676 114.676 120.007 -5.331 25439 19162 1 26 . 1 1 70 70 ARG HA H 70 4.251 4.251 4.141 0.110 25439 19163 1 26 . 1 1 70 70 ARG CA C 70 56.314 56.314 57.449 -1.135 25439 19164 1 26 . 1 1 70 70 ARG CB C 70 31.128 31.128 30.736 0.392 25439 19165 1 26 . 1 1 70 70 ARG H H 70 8.178 8.178 8.243 -0.065 25439 19166 1 26 . 1 1 71 71 LYS N N 71 115.371 115.371 115.090 0.281 25439 19167 1 26 . 1 1 71 71 LYS HA H 71 4.036 4.036 3.808 0.228 25439 19168 1 26 . 1 1 71 71 LYS CA C 71 57.121 57.121 57.050 0.071 25439 19169 1 26 . 1 1 71 71 LYS CB C 71 28.897 28.897 30.489 -1.592 25439 19170 1 26 . 1 1 71 71 LYS H H 71 6.843 6.843 7.850 -1.007 25439 19171 1 26 . 1 1 72 72 ALA N N 72 117.701 117.701 121.386 -3.685 25439 19172 1 26 . 1 1 72 72 ALA HA H 72 4.395 4.395 4.438 -0.043 25439 19173 1 26 . 1 1 72 72 ALA CA C 72 52.597 52.597 51.739 0.858 25439 19174 1 26 . 1 1 72 72 ALA CB C 72 21.560 21.560 19.821 1.739 25439 19175 1 26 . 1 1 72 72 ALA H H 72 8.560 8.560 7.670 0.890 25439 19176 1 26 . 1 1 73 73 ILE N N 73 107.605 107.605 117.374 -9.769 25439 19177 1 26 . 1 1 73 73 ILE CB C 73 42.724 42.724 40.925 1.799 25439 19178 1 26 . 1 1 73 73 ILE H H 73 7.074 7.074 7.501 -0.427 25439 19179 1 26 . 1 1 74 74 SER N N 74 118.425 118.425 117.664 0.761 25439 19180 1 26 . 1 1 74 74 SER HA H 74 4.484 4.484 4.900 -0.416 25439 19181 1 26 . 1 1 74 74 SER CA C 74 57.082 57.082 56.784 0.298 25439 19182 1 26 . 1 1 74 74 SER CB C 74 65.396 65.396 64.951 0.445 25439 19183 1 26 . 1 1 74 74 SER H H 74 8.797 8.797 8.494 0.303 25439 19184 1 26 . 1 1 75 75 LYS N N 75 121.891 121.891 125.252 -3.361 25439 19185 1 26 . 1 1 75 75 LYS HA H 75 3.851 3.851 4.202 -0.351 25439 19186 1 26 . 1 1 75 75 LYS CA C 75 59.624 59.624 59.949 -0.325 25439 19187 1 26 . 1 1 75 75 LYS CB C 75 32.368 32.368 32.435 -0.067 25439 19188 1 26 . 1 1 75 75 LYS H H 75 9.024 9.024 9.126 -0.102 25439 19189 1 26 . 1 1 76 76 ASP N N 76 115.908 115.908 118.575 -2.667 25439 19190 1 26 . 1 1 76 76 ASP HA H 76 4.423 4.423 4.394 0.029 25439 19191 1 26 . 1 1 76 76 ASP CA C 76 57.362 57.362 57.587 -0.226 25439 19192 1 26 . 1 1 76 76 ASP CB C 76 40.391 40.391 40.436 -0.045 25439 19193 1 26 . 1 1 76 76 ASP H H 76 8.161 8.161 8.510 -0.349 25439 19194 1 26 . 1 1 77 77 LEU N N 77 121.705 121.705 121.463 0.242 25439 19195 1 26 . 1 1 77 77 LEU HA H 77 4.180 4.180 4.108 0.072 25439 19196 1 26 . 1 1 77 77 LEU CA C 77 57.818 57.818 57.868 -0.050 25439 19197 1 26 . 1 1 77 77 LEU H H 77 8.345 8.345 7.769 0.576 25439 19198 1 26 . 1 1 78 78 TYR N N 78 121.511 121.511 119.680 1.831 25439 19199 1 26 . 1 1 78 78 TYR HA H 78 3.789 3.789 3.984 -0.195 25439 19200 1 26 . 1 1 78 78 TYR CA C 78 62.857 62.857 60.620 2.237 25439 19201 1 26 . 1 1 78 78 TYR CB C 78 38.369 38.369 37.715 0.654 25439 19202 1 26 . 1 1 78 78 TYR H H 78 8.598 8.598 8.448 0.150 25439 19203 1 26 . 1 1 79 79 ASP N N 79 117.189 117.189 119.797 -2.608 25439 19204 1 26 . 1 1 79 79 ASP HA H 79 4.066 4.066 4.004 0.062 25439 19205 1 26 . 1 1 79 79 ASP CA C 79 57.219 57.219 56.838 0.381 25439 19206 1 26 . 1 1 79 79 ASP CB C 79 40.003 40.003 40.506 -0.503 25439 19207 1 26 . 1 1 79 79 ASP H H 79 9.106 9.106 8.527 0.579 25439 19208 1 26 . 1 1 80 80 TRP N N 80 123.400 123.400 122.354 1.046 25439 19209 1 26 . 1 1 80 80 TRP HA H 80 4.160 4.160 4.151 0.009 25439 19210 1 26 . 1 1 80 80 TRP CA C 80 62.368 62.368 61.447 0.921 25439 19211 1 26 . 1 1 80 80 TRP CB C 80 29.969 29.969 29.416 0.553 25439 19212 1 26 . 1 1 80 80 TRP H H 80 7.931 7.931 8.287 -0.356 25439 19213 1 26 . 1 1 81 81 LEU N N 81 119.674 119.674 118.266 1.408 25439 19214 1 26 . 1 1 81 81 LEU HA H 81 3.971 3.971 2.772 1.199 25439 19215 1 26 . 1 1 81 81 LEU CA C 81 58.294 58.294 57.458 0.836 25439 19216 1 26 . 1 1 81 81 LEU CB C 81 41.818 41.818 41.485 0.333 25439 19217 1 26 . 1 1 81 81 LEU H H 81 8.814 8.814 7.804 1.010 25439 19218 1 26 . 1 1 82 82 ILE N N 82 118.746 118.746 117.873 0.873 25439 19219 1 26 . 1 1 82 82 ILE HA H 82 3.861 3.861 3.726 0.135 25439 19220 1 26 . 1 1 82 82 ILE CA C 82 62.734 62.734 62.968 -0.234 25439 19221 1 26 . 1 1 82 82 ILE CB C 82 36.236 36.236 36.595 -0.359 25439 19222 1 26 . 1 1 82 82 ILE H H 82 7.886 7.886 7.535 0.351 25439 19223 1 26 . 1 1 83 83 LYS N N 83 124.819 124.819 119.628 5.191 25439 19224 1 26 . 1 1 83 83 LYS HA H 83 3.911 3.911 4.090 -0.179 25439 19225 1 26 . 1 1 83 83 LYS CA C 83 59.643 59.643 57.839 1.804 25439 19226 1 26 . 1 1 83 83 LYS CB C 83 32.027 32.027 32.616 -0.589 25439 19227 1 26 . 1 1 83 83 LYS H H 83 8.224 8.224 7.674 0.550 25439 19228 1 26 . 1 1 84 84 GLU N N 84 115.404 115.404 117.895 -2.491 25439 19229 1 26 . 1 1 84 84 GLU HA H 84 3.841 3.841 4.294 -0.453 25439 19230 1 26 . 1 1 84 84 GLU CA C 84 55.582 55.582 55.100 0.482 25439 19231 1 26 . 1 1 84 84 GLU CB C 84 29.459 29.459 28.928 0.531 25439 19232 1 26 . 1 1 84 84 GLU H H 84 8.138 8.138 7.342 0.796 25439 19233 1 26 . 1 1 85 85 LYS N N 85 111.563 111.563 119.026 -7.463 25439 19234 1 26 . 1 1 85 85 LYS HA H 85 3.820 3.820 3.980 -0.160 25439 19235 1 26 . 1 1 85 85 LYS CA C 85 57.890 57.890 57.123 0.767 25439 19236 1 26 . 1 1 85 85 LYS CB C 85 28.005 28.005 31.172 -3.167 25439 19237 1 26 . 1 1 85 85 LYS H H 85 7.719 7.719 7.573 0.146 25439 19238 1 26 . 1 1 86 86 TYR N N 86 116.916 116.916 120.697 -3.781 25439 19239 1 26 . 1 1 86 86 TYR HA H 86 4.137 4.137 4.474 -0.337 25439 19240 1 26 . 1 1 86 86 TYR CA C 86 61.228 61.228 59.322 1.906 25439 19241 1 26 . 1 1 86 86 TYR CB C 86 39.535 39.535 40.340 -0.805 25439 19242 1 26 . 1 1 86 86 TYR H H 86 8.521 8.521 7.994 0.527 25439 19243 1 26 . 1 1 87 87 ALA N N 87 113.715 113.715 120.139 -6.424 25439 19244 1 26 . 1 1 87 87 ALA HA H 87 4.738 4.738 4.434 0.304 25439 19245 1 26 . 1 1 87 87 ALA CA C 87 49.121 49.121 50.617 -1.496 25439 19246 1 26 . 1 1 87 87 ALA CB C 87 23.295 23.295 21.053 2.242 25439 19247 1 26 . 1 1 87 87 ALA H H 87 6.959 6.959 8.011 -1.052 25439 19248 1 26 . 1 1 88 88 ASP N N 88 119.344 119.344 119.300 0.044 25439 19249 1 26 . 1 1 88 88 ASP HA H 88 4.544 4.544 4.830 -0.286 25439 19250 1 26 . 1 1 88 88 ASP CA C 88 52.714 52.714 53.181 -0.467 25439 19251 1 26 . 1 1 88 88 ASP CB C 88 41.845 41.845 41.573 0.272 25439 19252 1 26 . 1 1 88 88 ASP H H 88 7.870 7.870 8.520 -0.649 25439 19253 1 26 . 1 1 89 89 LYS N N 89 125.312 125.312 126.143 -0.831 25439 19254 1 26 . 1 1 89 89 LYS HA H 89 3.834 3.834 4.138 -0.304 25439 19255 1 26 . 1 1 89 89 LYS CA C 89 59.409 59.409 59.623 -0.214 25439 19256 1 26 . 1 1 89 89 LYS CB C 89 32.848 32.848 32.687 0.161 25439 19257 1 26 . 1 1 89 89 LYS H H 89 8.467 8.467 8.710 -0.243 25439 19258 1 26 . 1 1 90 90 LEU N N 90 119.899 119.899 120.854 -0.955 25439 19259 1 26 . 1 1 90 90 LEU HA H 90 4.023 4.023 4.043 -0.020 25439 19260 1 26 . 1 1 90 90 LEU CA C 90 57.049 57.049 57.892 -0.843 25439 19261 1 26 . 1 1 90 90 LEU CB C 90 41.099 41.099 41.678 -0.579 25439 19262 1 26 . 1 1 90 90 LEU H H 90 8.076 8.076 7.987 0.089 25439 19263 1 26 . 1 1 91 91 LEU N N 91 123.148 123.148 120.011 3.137 25439 19264 1 26 . 1 1 91 91 LEU HA H 91 3.498 3.498 3.738 -0.240 25439 19265 1 26 . 1 1 91 91 LEU CA C 91 56.971 56.971 57.727 -0.756 25439 19266 1 26 . 1 1 91 91 LEU CB C 91 41.823 41.823 41.661 0.162 25439 19267 1 26 . 1 1 91 91 LEU H H 91 7.120 7.120 8.421 -1.301 25439 19268 1 26 . 1 1 92 92 ILE N N 92 116.780 116.780 118.622 -1.842 25439 19269 1 26 . 1 1 92 92 ILE HA H 92 3.265 3.265 3.827 -0.562 25439 19270 1 26 . 1 1 92 92 ILE CA C 92 65.178 65.178 65.372 -0.194 25439 19271 1 26 . 1 1 92 92 ILE CB C 92 38.209 38.209 37.789 0.420 25439 19272 1 26 . 1 1 92 92 ILE H H 92 7.384 7.384 8.164 -0.780 25439 19273 1 26 . 1 1 93 93 ALA N N 93 117.061 117.061 122.325 -5.264 25439 19274 1 26 . 1 1 93 93 ALA HA H 93 3.930 3.930 4.002 -0.072 25439 19275 1 26 . 1 1 93 93 ALA CA C 93 54.839 54.839 55.501 -0.662 25439 19276 1 26 . 1 1 93 93 ALA CB C 93 18.125 18.125 18.091 0.034 25439 19277 1 26 . 1 1 93 93 ALA H H 93 7.437 7.437 8.388 -0.951 25439 19278 1 26 . 1 1 94 94 LYS N N 94 116.036 116.036 118.705 -2.669 25439 19279 1 26 . 1 1 94 94 LYS HA H 94 3.803 3.803 3.551 0.252 25439 19280 1 26 . 1 1 94 94 LYS CA C 94 56.945 56.945 58.420 -1.475 25439 19281 1 26 . 1 1 94 94 LYS CB C 94 31.047 31.047 31.578 -0.531 25439 19282 1 26 . 1 1 94 94 LYS H H 94 7.012 7.012 7.330 -0.318 25439 19283 1 26 . 1 1 95 95 TRP N N 95 118.700 118.700 116.546 2.154 25439 19284 1 26 . 1 1 95 95 TRP HA H 95 4.814 4.814 4.476 0.338 25439 19285 1 26 . 1 1 95 95 TRP CA C 95 57.136 57.136 59.392 -2.256 25439 19286 1 26 . 1 1 95 95 TRP CB C 95 28.171 28.171 28.884 -0.713 25439 19287 1 26 . 1 1 95 95 TRP H H 95 7.611 7.611 7.444 0.167 25439 19288 1 26 . 1 1 96 96 ARG N N 96 113.031 113.031 115.978 -2.947 25439 19289 1 26 . 1 1 96 96 ARG HA H 96 4.233 4.233 4.293 -0.060 25439 19290 1 26 . 1 1 96 96 ARG CA C 96 56.234 56.234 57.776 -1.542 25439 19291 1 26 . 1 1 96 96 ARG CB C 96 30.245 30.245 30.712 -0.467 25439 19292 1 26 . 1 1 96 96 ARG H H 96 7.066 7.066 7.475 -0.409 25439 19293 1 26 . 1 1 97 97 LYS N N 97 123.252 123.252 119.610 3.642 25439 19294 1 26 . 1 1 97 97 LYS HA H 97 4.634 4.634 4.281 0.353 25439 19295 1 26 . 1 1 97 97 LYS CA C 97 54.937 54.937 57.005 -2.068 25439 19296 1 26 . 1 1 97 97 LYS CB C 97 34.166 34.166 32.813 1.353 25439 19297 1 26 . 1 1 97 97 LYS H H 97 8.467 8.467 8.066 0.401 25439 19298 1 26 . 1 1 98 98 THR N N 98 119.993 119.993 114.368 5.625 25439 19299 1 26 . 1 1 98 98 THR HA H 98 4.224 4.224 4.449 -0.225 25439 19300 1 26 . 1 1 98 98 THR CA C 98 64.670 64.670 62.317 2.353 25439 19301 1 26 . 1 1 98 98 THR CB C 98 69.200 69.200 69.298 -0.098 25439 19302 1 26 . 1 1 98 98 THR H H 98 8.329 8.329 8.262 0.067 25439 19303 1 26 . 1 1 99 99 GLY N N 99 116.645 116.645 113.798 2.847 25439 19304 1 26 . 1 1 99 99 GLY CA C 99 45.047 45.047 44.904 0.143 25439 19305 1 26 . 1 1 99 99 GLY H H 99 9.273 9.273 8.703 0.570 25439 19306 1 26 . 1 1 100 100 TYR N N 100 120.784 120.784 119.566 1.218 25439 19307 1 26 . 1 1 100 100 TYR HA H 100 4.704 4.704 4.774 -0.070 25439 19308 1 26 . 1 1 100 100 TYR CA C 100 57.697 57.697 56.350 1.347 25439 19309 1 26 . 1 1 100 100 TYR CB C 100 39.413 39.413 37.555 1.858 25439 19310 1 26 . 1 1 100 100 TYR H H 100 8.457 8.457 8.075 0.382 25439 19311 1 26 . 1 1 101 101 GLU N N 101 119.482 119.482 122.212 -2.730 25439 19312 1 26 . 1 1 101 101 GLU HA H 101 4.601 4.601 4.488 0.113 25439 19313 1 26 . 1 1 101 101 GLU CA C 101 61.207 61.207 57.216 3.991 25439 19314 1 26 . 1 1 101 101 GLU CB C 101 29.648 29.648 30.469 -0.821 25439 19315 1 26 . 1 1 101 101 GLU H H 101 9.836 9.836 8.572 1.264 25439 19316 1 26 . 1 1 102 102 LYS N N 102 115.179 115.179 121.003 -5.824 25439 19317 1 26 . 1 1 102 102 LYS HA H 102 4.295 4.295 4.677 -0.382 25439 19318 1 26 . 1 1 102 102 LYS CA C 102 54.207 54.207 55.312 -1.105 25439 19319 1 26 . 1 1 102 102 LYS CB C 102 32.489 32.489 32.438 0.051 25439 19320 1 26 . 1 1 102 102 LYS H H 102 8.291 8.291 8.024 0.267 25439 19321 1 26 . 1 1 103 103 LEU N N 103 119.637 119.637 117.954 1.683 25439 19322 1 26 . 1 1 103 103 LEU HA H 103 4.385 4.385 5.049 -0.664 25439 19323 1 26 . 1 1 103 103 LEU CA C 103 56.549 56.549 53.953 2.596 25439 19324 1 26 . 1 1 103 103 LEU CB C 103 43.864 43.864 44.735 -0.871 25439 19325 1 26 . 1 1 103 103 LEU H H 103 7.642 7.642 7.875 -0.233 25439 19326 1 26 . 1 1 104 104 CYS N N 104 129.651 129.651 116.712 12.939 25439 19327 1 26 . 1 1 104 104 CYS HA H 104 4.498 4.498 5.173 -0.675 25439 19328 1 26 . 1 1 104 104 CYS CA C 104 58.076 58.076 58.511 -0.435 25439 19329 1 26 . 1 1 104 104 CYS CB C 104 32.301 32.301 28.339 3.962 25439 19330 1 26 . 1 1 104 104 CYS H H 104 8.638 8.638 8.912 -0.274 25439 19331 1 26 . 1 1 105 105 CYS N N 105 120.206 120.206 118.480 1.726 25439 19332 1 26 . 1 1 105 105 CYS HA H 105 4.806 4.806 4.861 -0.055 25439 19333 1 26 . 1 1 105 105 CYS CA C 105 58.271 58.271 56.900 1.371 25439 19334 1 26 . 1 1 105 105 CYS CB C 105 32.062 32.062 30.127 1.935 25439 19335 1 26 . 1 1 105 105 CYS H H 105 8.158 8.158 7.953 0.205 25439 19336 1 26 . 1 1 106 106 LEU N N 106 115.513 115.513 120.893 -5.380 25439 19337 1 26 . 1 1 106 106 LEU HA H 106 4.054 4.054 4.284 -0.230 25439 19338 1 26 . 1 1 106 106 LEU CA C 106 56.110 56.110 56.923 -0.813 25439 19339 1 26 . 1 1 106 106 LEU CB C 106 41.227 41.227 42.348 -1.121 25439 19340 1 26 . 1 1 106 106 LEU H H 106 8.466 8.466 8.372 0.094 25439 19341 1 26 . 1 1 107 107 ARG N N 107 122.711 122.711 118.560 4.151 25439 19342 1 26 . 1 1 107 107 ARG HA H 107 3.993 3.993 4.320 -0.327 25439 19343 1 26 . 1 1 107 107 ARG CA C 107 58.311 58.311 56.258 2.053 25439 19344 1 26 . 1 1 107 107 ARG CB C 107 28.965 28.965 28.969 -0.004 25439 19345 1 26 . 1 1 107 107 ARG H H 107 8.131 8.131 8.217 -0.086 25439 19346 1 26 . 1 1 108 108 CYS N N 108 119.055 119.055 117.966 1.089 25439 19347 1 26 . 1 1 108 108 CYS HA H 108 4.101 4.101 4.735 -0.634 25439 19348 1 26 . 1 1 108 108 CYS CA C 108 63.936 63.936 57.343 6.593 25439 19349 1 26 . 1 1 108 108 CYS CB C 108 30.934 30.934 27.259 3.675 25439 19350 1 26 . 1 1 108 108 CYS H H 108 8.010 8.010 7.911 0.099 25439 19351 1 26 . 1 1 109 109 ILE N N 109 107.315 107.315 114.807 -7.492 25439 19352 1 26 . 1 1 109 109 ILE HA H 109 4.684 4.684 4.455 0.229 25439 19353 1 26 . 1 1 109 109 ILE CA C 109 60.483 60.483 60.895 -0.412 25439 19354 1 26 . 1 1 109 109 ILE CB C 109 38.320 38.320 38.168 0.152 25439 19355 1 26 . 1 1 109 109 ILE H H 109 7.105 7.105 7.546 -0.441 25439 19356 1 26 . 1 1 110 110 GLN N N 110 122.468 122.468 117.722 4.746 25439 19357 1 26 . 1 1 110 110 GLN HA H 110 4.268 4.268 4.756 -0.488 25439 19358 1 26 . 1 1 110 110 GLN CA C 110 55.981 55.981 53.956 2.025 25439 19359 1 26 . 1 1 110 110 GLN CB C 110 29.656 29.656 31.996 -2.340 25439 19360 1 26 . 1 1 110 110 GLN H H 110 7.156 7.156 7.798 -0.642 25439 19361 1 26 . 1 1 111 111 LYS N N 111 124.650 124.650 120.239 4.411 25439 19362 1 26 . 1 1 111 111 LYS HA H 111 4.246 4.246 4.815 -0.569 25439 19363 1 26 . 1 1 111 111 LYS CA C 111 56.546 56.546 55.171 1.375 25439 19364 1 26 . 1 1 111 111 LYS CB C 111 32.846 32.846 34.769 -1.923 25439 19365 1 26 . 1 1 111 111 LYS H H 111 8.522 8.522 8.211 0.311 25439 19366 1 26 . 1 1 112 112 ASN N N 112 120.972 120.972 116.560 4.412 25439 19367 1 26 . 1 1 112 112 ASN HA H 112 4.778 4.778 4.794 -0.016 25439 19368 1 26 . 1 1 112 112 ASN CA C 112 52.902 52.902 53.778 -0.876 25439 19369 1 26 . 1 1 112 112 ASN CB C 112 39.328 39.328 40.182 -0.854 25439 19370 1 26 . 1 1 112 112 ASN H H 112 8.360 8.360 8.640 -0.280 25439 19371 1 26 . 1 1 113 113 GLU N N 113 121.710 121.710 117.901 3.809 25439 19372 1 26 . 1 1 113 113 GLU HA H 113 4.248 4.248 4.675 -0.427 25439 19373 1 26 . 1 1 113 113 GLU CA C 113 58.611 58.611 55.985 2.626 25439 19374 1 26 . 1 1 113 113 GLU CB C 113 29.590 29.590 31.561 -1.971 25439 19375 1 26 . 1 1 113 113 GLU H H 113 9.023 9.023 7.971 1.052 25439 19376 1 26 . 1 1 114 114 THR N N 114 112.186 112.186 113.371 -1.185 25439 19377 1 26 . 1 1 114 114 THR HA H 114 4.321 4.321 4.226 0.095 25439 19378 1 26 . 1 1 114 114 THR CA C 114 63.161 63.161 63.276 -0.115 25439 19379 1 26 . 1 1 114 114 THR CB C 114 69.481 69.481 69.195 0.286 25439 19380 1 26 . 1 1 114 114 THR H H 114 8.112 8.112 8.250 -0.138 25439 19381 1 26 . 1 1 115 115 ASN N N 115 119.112 119.112 119.443 -0.331 25439 19382 1 26 . 1 1 115 115 ASN HA H 115 4.829 4.829 4.784 0.045 25439 19383 1 26 . 1 1 115 115 ASN CA C 115 53.110 53.110 52.704 0.406 25439 19384 1 26 . 1 1 115 115 ASN CB C 115 38.659 38.659 39.764 -1.105 25439 19385 1 26 . 1 1 115 115 ASN H H 115 8.047 8.047 7.930 0.117 25439 19386 1 26 . 1 1 116 116 ASN N N 116 117.175 117.175 116.720 0.455 25439 19387 1 26 . 1 1 116 116 ASN HA H 116 4.615 4.615 4.483 0.132 25439 19388 1 26 . 1 1 116 116 ASN CA C 116 53.965 53.965 53.931 0.034 25439 19389 1 26 . 1 1 116 116 ASN CB C 116 38.173 38.173 37.235 0.938 25439 19390 1 26 . 1 1 116 116 ASN H H 116 8.364 8.364 8.673 -0.309 25439 19391 1 26 . 1 1 117 117 GLY N N 117 107.294 107.294 107.039 0.255 25439 19392 1 26 . 1 1 117 117 GLY CA C 117 45.882 45.882 44.344 1.538 25439 19393 1 26 . 1 1 117 117 GLY H H 117 8.264 8.264 8.263 0.001 25439 19394 1 26 . 1 1 118 118 SER N N 118 115.475 115.475 116.365 -0.890 25439 19395 1 26 . 1 1 118 118 SER HA H 118 4.586 4.586 4.754 -0.168 25439 19396 1 26 . 1 1 118 118 SER CA C 118 57.974 57.974 58.431 -0.457 25439 19397 1 26 . 1 1 118 118 SER CB C 118 64.479 64.479 63.999 0.480 25439 19398 1 26 . 1 1 118 118 SER H H 118 7.905 7.905 8.519 -0.614 25439 19399 1 26 . 1 1 119 119 THR N N 119 111.360 111.360 115.141 -3.781 25439 19400 1 26 . 1 1 119 119 THR HA H 119 4.450 4.450 4.765 -0.315 25439 19401 1 26 . 1 1 119 119 THR CA C 119 61.215 61.215 60.971 0.243 25439 19402 1 26 . 1 1 119 119 THR CB C 119 70.569 70.569 71.492 -0.923 25439 19403 1 26 . 1 1 119 119 THR H H 119 8.044 8.044 7.656 0.388 25439 19404 1 26 . 1 1 120 120 CYS N N 120 122.708 122.708 121.290 1.418 25439 19405 1 26 . 1 1 120 120 CYS HA H 120 4.255 4.255 4.791 -0.536 25439 19406 1 26 . 1 1 120 120 CYS CA C 120 61.469 61.469 57.394 4.075 25439 19407 1 26 . 1 1 120 120 CYS CB C 120 30.892 30.892 29.355 1.537 25439 19408 1 26 . 1 1 120 120 CYS H H 120 8.045 8.045 8.506 -0.461 25439 19409 1 26 . 1 1 121 121 ILE N N 121 132.463 132.463 123.807 8.656 25439 19410 1 26 . 1 1 121 121 ILE HA H 121 4.025 4.025 3.811 0.214 25439 19411 1 26 . 1 1 121 121 ILE CA C 121 63.353 63.353 63.158 0.195 25439 19412 1 26 . 1 1 121 121 ILE CB C 121 38.222 38.222 37.591 0.631 25439 19413 1 26 . 1 1 121 121 ILE H H 121 8.237 8.237 8.411 -0.174 25439 19414 1 26 . 1 1 122 122 CYS N N 122 123.931 123.931 117.920 6.011 25439 19415 1 26 . 1 1 122 122 CYS HA H 122 4.233 4.233 4.185 0.048 25439 19416 1 26 . 1 1 122 122 CYS CA C 122 60.230 60.230 60.426 -0.196 25439 19417 1 26 . 1 1 122 122 CYS CB C 122 30.602 30.602 25.918 4.684 25439 19418 1 26 . 1 1 122 122 CYS H H 122 9.355 9.355 7.554 1.801 25439 19419 1 26 . 1 1 123 123 ARG N N 123 119.561 119.561 120.871 -1.310 25439 19420 1 26 . 1 1 123 123 ARG HA H 123 4.150 4.150 4.368 -0.218 25439 19421 1 26 . 1 1 123 123 ARG CA C 123 53.177 53.177 57.601 -4.424 25439 19422 1 26 . 1 1 123 123 ARG CB C 123 27.961 27.961 30.176 -2.215 25439 19423 1 26 . 1 1 123 123 ARG H H 123 7.677 7.677 7.576 0.101 25439 19424 1 26 . 1 1 124 124 VAL N N 124 122.794 122.794 121.157 1.637 25439 19425 1 26 . 1 1 124 124 VAL HA H 124 4.081 4.081 4.107 -0.026 25439 19426 1 26 . 1 1 124 124 VAL CA C 124 60.647 60.647 59.538 1.109 25439 19427 1 26 . 1 1 124 124 VAL CB C 124 32.857 32.857 30.981 1.876 25439 19428 1 26 . 1 1 124 124 VAL H H 124 7.578 7.578 7.447 0.131 25439 19429 1 26 . 1 1 125 125 PRO HA H 125 4.263 4.263 4.511 -0.248 25439 19430 1 26 . 1 1 125 125 PRO CA C 125 63.268 63.268 62.229 1.039 25439 19431 1 26 . 1 1 125 125 PRO CB C 125 32.379 32.379 32.933 -0.554 25439 19432 1 26 . 1 1 126 126 ARG N N 126 128.350 128.350 118.971 9.379 25439 19433 1 26 . 1 1 126 126 ARG HA H 126 3.912 3.912 4.072 -0.160 25439 19434 1 26 . 1 1 126 126 ARG CA C 126 59.653 59.653 59.421 0.232 25439 19435 1 26 . 1 1 126 126 ARG CB C 126 29.339 29.339 29.684 -0.345 25439 19436 1 26 . 1 1 126 126 ARG H H 126 9.534 9.534 8.891 0.643 25439 19437 1 26 . 1 1 127 127 ALA N N 127 119.169 119.169 122.273 -3.104 25439 19438 1 26 . 1 1 127 127 ALA HA H 127 4.192 4.192 4.064 0.128 25439 19439 1 26 . 1 1 127 127 ALA CA C 127 55.227 55.227 55.130 0.097 25439 19440 1 26 . 1 1 127 127 ALA CB C 127 18.363 18.363 17.915 0.448 25439 19441 1 26 . 1 1 127 127 ALA H H 127 9.263 9.263 8.607 0.656 25439 19442 1 26 . 1 1 128 128 GLN N N 128 117.345 117.345 118.081 -0.736 25439 19443 1 26 . 1 1 128 128 GLN HA H 128 4.209 4.209 4.102 0.107 25439 19444 1 26 . 1 1 128 128 GLN CA C 128 58.506 58.506 58.850 -0.344 25439 19445 1 26 . 1 1 128 128 GLN CB C 128 28.220 28.220 28.342 -0.122 25439 19446 1 26 . 1 1 128 128 GLN H H 128 7.448 7.448 8.412 -0.964 25439 19447 1 26 . 1 1 129 129 LEU N N 129 120.561 120.561 120.805 -0.244 25439 19448 1 26 . 1 1 129 129 LEU HA H 129 4.088 4.088 4.215 -0.127 25439 19449 1 26 . 1 1 129 129 LEU CA C 129 57.952 57.952 57.851 0.101 25439 19450 1 26 . 1 1 129 129 LEU CB C 129 41.817 41.817 41.949 -0.132 25439 19451 1 26 . 1 1 129 129 LEU H H 129 7.622 7.622 7.511 0.111 25439 19452 1 26 . 1 1 130 130 GLU N N 130 119.122 119.122 118.899 0.223 25439 19453 1 26 . 1 1 130 130 GLU HA H 130 3.956 3.956 3.898 0.058 25439 19454 1 26 . 1 1 130 130 GLU CA C 130 59.353 59.353 59.900 -0.547 25439 19455 1 26 . 1 1 130 130 GLU CB C 130 29.337 29.337 29.340 -0.003 25439 19456 1 26 . 1 1 130 130 GLU H H 130 8.656 8.656 8.615 0.041 25439 19457 1 26 . 1 1 131 131 GLU N N 131 121.469 121.469 119.091 2.378 25439 19458 1 26 . 1 1 131 131 GLU HA H 131 4.163 4.163 3.978 0.185 25439 19459 1 26 . 1 1 131 131 GLU CA C 131 59.288 59.288 59.987 -0.699 25439 19460 1 26 . 1 1 131 131 GLU CB C 131 29.422 29.422 29.563 -0.141 25439 19461 1 26 . 1 1 131 131 GLU H H 131 7.922 7.922 7.780 0.142 25439 19462 1 26 . 1 1 132 132 GLU N N 132 119.241 119.241 118.992 0.249 25439 19463 1 26 . 1 1 132 132 GLU HA H 132 3.998 3.998 4.019 -0.021 25439 19464 1 26 . 1 1 132 132 GLU CA C 132 59.327 59.327 59.527 -0.200 25439 19465 1 26 . 1 1 132 132 GLU CB C 132 29.421 29.421 28.967 0.454 25439 19466 1 26 . 1 1 132 132 GLU H H 132 8.099 8.099 7.626 0.473 25439 19467 1 26 . 1 1 133 133 ALA N N 133 121.302 121.302 122.156 -0.854 25439 19468 1 26 . 1 1 133 133 ALA HA H 133 4.053 4.053 3.918 0.135 25439 19469 1 26 . 1 1 133 133 ALA CA C 133 54.973 54.973 55.492 -0.519 25439 19470 1 26 . 1 1 133 133 ALA CB C 133 18.154 18.154 18.308 -0.154 25439 19471 1 26 . 1 1 133 133 ALA H H 133 7.795 7.795 7.514 0.281 25439 19472 1 26 . 1 1 134 134 ARG N N 134 118.757 118.757 118.520 0.237 25439 19473 1 26 . 1 1 134 134 ARG HA H 134 4.143 4.143 4.048 0.095 25439 19474 1 26 . 1 1 134 134 ARG CA C 134 59.438 59.438 58.925 0.513 25439 19475 1 26 . 1 1 134 134 ARG CB C 134 30.148 30.148 29.883 0.265 25439 19476 1 26 . 1 1 134 134 ARG H H 134 8.145 8.145 7.929 0.216 25439 19477 1 26 . 1 1 135 135 LYS N N 135 119.496 119.496 119.452 0.044 25439 19478 1 26 . 1 1 135 135 LYS HA H 135 4.073 4.073 4.198 -0.125 25439 19479 1 26 . 1 1 135 135 LYS CA C 135 59.327 59.327 58.694 0.633 25439 19480 1 26 . 1 1 135 135 LYS CB C 135 32.539 32.539 32.629 -0.090 25439 19481 1 26 . 1 1 135 135 LYS H H 135 8.036 8.036 7.552 0.484 25439 19482 1 26 . 1 1 136 136 LYS N N 136 116.645 116.645 118.305 -1.660 25439 19483 1 26 . 1 1 136 136 LYS HA H 136 4.362 4.362 4.419 -0.057 25439 19484 1 26 . 1 1 136 136 LYS CA C 136 56.575 56.575 54.503 2.072 25439 19485 1 26 . 1 1 136 136 LYS CB C 136 33.629 33.629 32.232 1.397 25439 19486 1 26 . 1 1 136 136 LYS H H 136 7.682 7.682 7.567 0.115 25439 19487 1 26 . 1 1 137 137 GLY N N 137 109.349 109.349 109.207 0.142 25439 19488 1 26 . 1 1 137 137 GLY CA C 137 46.358 46.358 46.305 0.053 25439 19489 1 26 . 1 1 137 137 GLY H H 137 8.064 8.064 7.700 0.364 25439 19490 1 26 . 1 1 138 138 THR N N 138 112.870 112.870 113.732 -0.862 25439 19491 1 26 . 1 1 138 138 THR HA H 138 4.735 4.735 4.651 0.084 25439 19492 1 26 . 1 1 138 138 THR CA C 138 59.308 59.308 60.628 -1.320 25439 19493 1 26 . 1 1 138 138 THR CB C 138 70.755 70.755 70.729 0.026 25439 19494 1 26 . 1 1 138 138 THR H H 138 8.111 8.111 8.052 0.059 25439 19495 1 26 . 1 1 139 139 GLN N N 139 118.177 118.177 119.831 -1.654 25439 19496 1 26 . 1 1 139 139 GLN HA H 139 4.609 4.609 4.658 -0.049 25439 19497 1 26 . 1 1 139 139 GLN CA C 139 54.435 54.435 55.232 -0.797 25439 19498 1 26 . 1 1 139 139 GLN CB C 139 30.777 30.777 30.850 -0.073 25439 19499 1 26 . 1 1 139 139 GLN H H 139 8.227 8.227 8.319 -0.092 25439 19500 1 26 . 1 1 140 140 VAL N N 140 123.601 123.601 120.951 2.650 25439 19501 1 26 . 1 1 140 140 VAL HA H 140 3.790 3.790 4.447 -0.657 25439 19502 1 26 . 1 1 140 140 VAL CA C 140 63.934 63.934 61.305 2.629 25439 19503 1 26 . 1 1 140 140 VAL CB C 140 32.154 32.154 33.941 -1.787 25439 19504 1 26 . 1 1 140 140 VAL H H 140 8.839 8.839 8.019 0.820 25439 19505 1 26 . 1 1 141 141 SER HA H 141 4.524 4.524 4.549 -0.025 25439 19506 1 26 . 1 1 141 141 SER CA C 141 57.841 57.841 58.395 -0.554 25439 19507 1 26 . 1 1 141 141 SER CB C 141 64.174 64.174 63.360 0.814 25439 19508 1 26 . 1 1 142 142 PHE N N 142 123.726 123.726 125.264 -1.538 25439 19509 1 26 . 1 1 142 142 PHE HA H 142 4.458 4.458 4.774 -0.316 25439 19510 1 26 . 1 1 142 142 PHE CA C 142 58.673 58.673 57.989 0.684 25439 19511 1 26 . 1 1 142 142 PHE CB C 142 40.055 40.055 41.232 -1.177 25439 19512 1 26 . 1 1 142 142 PHE H H 142 7.534 7.534 8.235 -0.701 25439 19513 1 26 . 1 1 143 143 HIS N N 143 126.548 126.548 119.063 7.485 25439 19514 1 26 . 1 1 143 143 HIS HA H 143 4.336 4.336 4.325 0.011 25439 19515 1 26 . 1 1 143 143 HIS CA C 143 56.837 56.837 56.577 0.260 25439 19516 1 26 . 1 1 143 143 HIS CB C 143 31.949 31.949 32.452 -0.503 25439 19517 1 26 . 1 1 143 143 HIS H H 143 8.308 8.308 7.310 0.998 25439 19518 1 26 . 1 1 144 144 GLN N N 144 115.094 115.094 116.344 -1.250 25439 19519 1 26 . 1 1 144 144 GLN HA H 144 4.433 4.433 4.506 -0.073 25439 19520 1 26 . 1 1 144 144 GLN CA C 144 54.210 54.210 53.256 0.954 25439 19521 1 26 . 1 1 144 144 GLN CB C 144 32.925 32.925 31.784 1.141 25439 19522 1 26 . 1 1 144 144 GLN H H 144 7.203 7.203 7.025 0.178 25439 19523 1 26 . 1 1 145 145 CYS N N 145 123.088 123.088 118.755 4.333 25439 19524 1 26 . 1 1 145 145 CYS HA H 145 4.961 4.961 5.110 -0.149 25439 19525 1 26 . 1 1 145 145 CYS CA C 145 57.978 57.978 56.977 1.000 25439 19526 1 26 . 1 1 145 145 CYS CB C 145 33.555 33.555 30.240 3.315 25439 19527 1 26 . 1 1 145 145 CYS H H 145 8.668 8.668 8.410 0.258 25439 19528 1 26 . 1 1 146 146 VAL N N 146 113.265 113.265 118.526 -5.261 25439 19529 1 26 . 1 1 146 146 VAL HA H 146 4.238 4.238 4.266 -0.028 25439 19530 1 26 . 1 1 146 146 VAL CA C 146 64.001 64.001 64.820 -0.819 25439 19531 1 26 . 1 1 146 146 VAL CB C 146 32.157 32.157 31.668 0.489 25439 19532 1 26 . 1 1 146 146 VAL H H 146 8.198 8.198 8.405 -0.207 25439 19533 1 26 . 1 1 147 147 HIS N N 147 120.556 120.556 118.803 1.753 25439 19534 1 26 . 1 1 147 147 HIS HA H 147 4.604 4.604 4.355 0.249 25439 19535 1 26 . 1 1 147 147 HIS CA C 147 58.708 58.708 58.773 -0.065 25439 19536 1 26 . 1 1 147 147 HIS CB C 147 32.204 32.204 29.616 2.588 25439 19537 1 26 . 1 1 147 147 HIS H H 147 7.151 7.151 8.340 -1.189 25439 19538 1 26 . 1 1 148 148 CYS N N 148 112.110 112.110 112.269 -0.159 25439 19539 1 26 . 1 1 148 148 CYS HA H 148 4.889 4.889 4.736 0.153 25439 19540 1 26 . 1 1 148 148 CYS CA C 148 57.952 57.952 55.824 2.128 25439 19541 1 26 . 1 1 148 148 CYS CB C 148 32.956 32.956 30.127 2.829 25439 19542 1 26 . 1 1 148 148 CYS H H 148 7.413 7.413 7.268 0.145 25439 19543 1 26 . 1 1 149 149 GLY N N 149 112.797 112.797 108.586 4.211 25439 19544 1 26 . 1 1 149 149 GLY CA C 149 45.327 45.327 44.316 1.011 25439 19545 1 26 . 1 1 149 149 GLY H H 149 6.949 6.949 8.310 -1.361 25439 19546 1 26 . 1 1 150 150 CYS N N 150 127.277 127.277 119.774 7.503 25439 19547 1 26 . 1 1 150 150 CYS HA H 150 3.932 3.932 4.677 -0.745 25439 19548 1 26 . 1 1 150 150 CYS CA C 150 61.362 61.362 57.150 4.212 25439 19549 1 26 . 1 1 150 150 CYS CB C 150 30.632 30.632 30.054 0.578 25439 19550 1 26 . 1 1 150 150 CYS H H 150 8.240 8.240 7.107 1.133 25439 19551 1 26 . 1 1 151 151 ARG N N 151 125.476 125.476 126.118 -0.642 25439 19552 1 26 . 1 1 151 151 ARG HA H 151 4.775 4.775 4.288 0.487 25439 19553 1 26 . 1 1 151 151 ARG CA C 151 56.164 56.164 55.372 0.792 25439 19554 1 26 . 1 1 151 151 ARG CB C 151 30.354 30.354 29.962 0.392 25439 19555 1 26 . 1 1 151 151 ARG H H 151 8.492 8.492 8.698 -0.206 25439 19556 1 26 . 1 1 152 152 GLY N N 152 117.275 117.275 108.322 8.953 25439 19557 1 26 . 1 1 152 152 GLY CA C 152 45.523 45.523 45.190 0.333 25439 19558 1 26 . 1 1 152 152 GLY H H 152 9.812 9.812 7.939 1.873 25439 19559 1 26 . 1 1 153 153 CYS N N 153 126.187 126.187 118.709 7.478 25439 19560 1 26 . 1 1 153 153 CYS HA H 153 4.842 4.842 4.830 0.012 25439 19561 1 26 . 1 1 153 153 CYS CA C 153 57.130 57.130 55.823 1.307 25439 19562 1 26 . 1 1 153 153 CYS CB C 153 31.368 31.368 27.946 3.422 25439 19563 1 26 . 1 1 153 153 CYS H H 153 8.930 8.930 8.260 0.670 25439 19564 1 26 . 1 1 154 154 ALA N N 154 125.869 125.869 126.161 -0.292 25439 19565 1 26 . 1 1 154 154 ALA HA H 154 4.159 4.159 4.976 -0.817 25439 19566 1 26 . 1 1 154 154 ALA CA C 154 53.187 53.187 51.635 1.552 25439 19567 1 26 . 1 1 154 154 ALA CB C 154 18.937 18.937 21.705 -2.768 25439 19568 1 26 . 1 1 154 154 ALA H H 154 8.616 8.616 8.318 0.298 25439 19569 1 26 . 1 1 155 155 SER N N 155 116.724 116.724 116.941 -0.217 25439 19570 1 26 . 1 1 155 155 SER HA H 155 4.283 4.283 4.510 -0.227 25439 19571 1 26 . 1 1 155 155 SER CA C 155 60.136 60.136 59.589 0.547 25439 19572 1 26 . 1 1 155 155 SER CB C 155 63.575 63.575 64.298 -0.723 25439 19573 1 26 . 1 1 155 155 SER H H 155 9.358 9.358 8.752 0.606 25439 19574 1 26 . 1 1 156 156 THR N N 156 111.893 111.893 116.970 -5.077 25439 19575 1 26 . 1 1 156 156 THR HA H 156 4.358 4.358 4.082 0.276 25439 19576 1 26 . 1 1 156 156 THR CA C 156 61.264 61.264 64.835 -3.571 25439 19577 1 26 . 1 1 156 156 THR CB C 156 69.999 69.999 69.006 0.993 25439 19578 1 26 . 1 1 156 156 THR H H 156 7.638 7.638 8.317 -0.679 25439 19579 1 27 . 1 1 0 0 GLY CA C 0 43.750 43.750 44.524 -0.774 25439 19580 1 27 . 1 1 1 1 SER N N 1 117.201 117.201 115.804 1.397 25439 19581 1 27 . 1 1 1 1 SER HA H 1 4.809 4.809 4.866 -0.057 25439 19582 1 27 . 1 1 1 1 SER CA C 1 56.525 56.525 55.508 1.017 25439 19583 1 27 . 1 1 1 1 SER CB C 1 63.385 63.385 63.805 -0.420 25439 19584 1 27 . 1 1 1 1 SER H H 1 8.381 8.381 8.408 -0.027 25439 19585 1 27 . 1 1 2 2 PRO HA H 2 4.468 4.468 4.536 -0.068 25439 19586 1 27 . 1 1 2 2 PRO CA C 2 63.292 63.292 62.949 0.343 25439 19587 1 27 . 1 1 2 2 PRO CB C 2 32.174 32.174 32.208 -0.034 25439 19588 1 27 . 1 1 3 3 ARG N N 3 121.649 121.649 122.369 -0.720 25439 19589 1 27 . 1 1 3 3 ARG HA H 3 4.324 4.324 4.610 -0.286 25439 19590 1 27 . 1 1 3 3 ARG CA C 3 56.226 56.226 55.890 0.336 25439 19591 1 27 . 1 1 3 3 ARG CB C 3 30.732 30.732 30.899 -0.167 25439 19592 1 27 . 1 1 3 3 ARG H H 3 8.428 8.428 8.444 -0.016 25439 19593 1 27 . 1 1 4 4 ILE N N 4 122.500 122.500 124.370 -1.870 25439 19594 1 27 . 1 1 4 4 ILE HA H 4 4.181 4.181 4.341 -0.160 25439 19595 1 27 . 1 1 4 4 ILE CA C 4 60.943 60.943 61.706 -0.763 25439 19596 1 27 . 1 1 4 4 ILE CB C 4 38.751 38.751 38.791 -0.040 25439 19597 1 27 . 1 1 4 4 ILE H H 4 8.165 8.165 8.518 -0.353 25439 19598 1 27 . 1 1 5 5 LYS N N 5 126.237 126.237 124.281 1.956 25439 19599 1 27 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.573 -0.171 25439 19600 1 27 . 1 1 5 5 LYS CA C 5 56.422 56.422 56.766 -0.344 25439 19601 1 27 . 1 1 5 5 LYS CB C 5 33.130 33.130 32.623 0.507 25439 19602 1 27 . 1 1 5 5 LYS H H 5 8.500 8.500 8.124 0.376 25439 19603 1 27 . 1 1 6 6 THR N N 6 116.495 116.495 117.103 -0.608 25439 19604 1 27 . 1 1 6 6 THR HA H 6 4.323 4.323 4.602 -0.279 25439 19605 1 27 . 1 1 6 6 THR CA C 6 61.918 61.918 62.226 -0.308 25439 19606 1 27 . 1 1 6 6 THR CB C 6 69.963 69.963 69.597 0.367 25439 19607 1 27 . 1 1 6 6 THR H H 6 8.194 8.194 8.211 -0.017 25439 19608 1 27 . 1 1 7 7 ARG N N 7 124.128 124.128 125.146 -1.018 25439 19609 1 27 . 1 1 7 7 ARG HA H 7 4.396 4.396 4.526 -0.130 25439 19610 1 27 . 1 1 7 7 ARG CA C 7 56.128 56.128 56.080 0.048 25439 19611 1 27 . 1 1 7 7 ARG CB C 7 30.953 30.953 31.262 -0.309 25439 19612 1 27 . 1 1 7 7 ARG H H 7 8.458 8.458 8.708 -0.250 25439 19613 1 27 . 1 1 8 8 ARG N N 8 123.384 123.384 121.405 1.979 25439 19614 1 27 . 1 1 8 8 ARG HA H 8 4.424 4.424 4.542 -0.118 25439 19615 1 27 . 1 1 8 8 ARG CA C 8 56.011 56.011 56.137 -0.126 25439 19616 1 27 . 1 1 8 8 ARG CB C 8 31.058 31.058 30.270 0.788 25439 19617 1 27 . 1 1 8 8 ARG H H 8 8.526 8.526 8.532 -0.006 25439 19618 1 27 . 1 1 9 9 SER N N 9 118.446 118.446 116.396 2.050 25439 19619 1 27 . 1 1 9 9 SER HA H 9 4.473 4.473 4.569 -0.096 25439 19620 1 27 . 1 1 9 9 SER CA C 9 58.568 58.568 59.063 -0.495 25439 19621 1 27 . 1 1 9 9 SER CB C 9 63.986 63.986 64.135 -0.149 25439 19622 1 27 . 1 1 9 9 SER H H 9 8.450 8.450 8.360 0.090 25439 19623 1 27 . 1 1 10 10 LYS N N 10 124.117 124.117 123.992 0.125 25439 19624 1 27 . 1 1 10 10 LYS HA H 10 4.673 4.673 4.823 -0.150 25439 19625 1 27 . 1 1 10 10 LYS CA C 10 54.412 54.412 53.292 1.120 25439 19626 1 27 . 1 1 10 10 LYS CB C 10 32.693 32.693 33.532 -0.840 25439 19627 1 27 . 1 1 10 10 LYS H H 10 8.426 8.426 8.333 0.093 25439 19628 1 27 . 1 1 11 11 PRO HA H 11 4.360 4.360 4.495 -0.135 25439 19629 1 27 . 1 1 11 11 PRO CA C 11 62.861 62.861 62.190 0.671 25439 19630 1 27 . 1 1 11 11 PRO CB C 11 32.106 32.106 32.992 -0.886 25439 19631 1 27 . 1 1 12 12 ALA N N 12 124.420 124.420 122.530 1.890 25439 19632 1 27 . 1 1 12 12 ALA HA H 12 2.889 2.889 3.367 -0.478 25439 19633 1 27 . 1 1 12 12 ALA CA C 12 49.735 49.735 49.177 0.558 25439 19634 1 27 . 1 1 12 12 ALA CB C 12 18.066 18.066 16.807 1.259 25439 19635 1 27 . 1 1 12 12 ALA H H 12 7.890 7.890 7.567 0.323 25439 19636 1 27 . 1 1 13 13 PRO HA H 13 4.207 4.207 4.440 -0.233 25439 19637 1 27 . 1 1 13 13 PRO CA C 13 62.111 62.111 61.764 0.347 25439 19638 1 27 . 1 1 13 13 PRO CB C 13 32.582 32.582 32.436 0.146 25439 19639 1 27 . 1 1 14 14 ASP N N 14 119.535 119.535 119.901 -0.366 25439 19640 1 27 . 1 1 14 14 ASP HA H 14 4.379 4.379 4.314 0.065 25439 19641 1 27 . 1 1 14 14 ASP CA C 14 56.427 56.427 57.266 -0.839 25439 19642 1 27 . 1 1 14 14 ASP CB C 14 41.177 41.177 40.597 0.580 25439 19643 1 27 . 1 1 14 14 ASP H H 14 8.206 8.206 8.668 -0.462 25439 19644 1 27 . 1 1 15 15 GLY N N 15 113.273 113.273 107.749 5.524 25439 19645 1 27 . 1 1 15 15 GLY CA C 15 45.146 45.146 46.687 -1.541 25439 19646 1 27 . 1 1 15 15 GLY H H 15 8.723 8.723 8.480 0.243 25439 19647 1 27 . 1 1 16 16 PHE N N 16 123.113 123.113 122.931 0.182 25439 19648 1 27 . 1 1 16 16 PHE HA H 16 4.125 4.125 4.219 -0.094 25439 19649 1 27 . 1 1 16 16 PHE CA C 16 60.715 60.715 59.483 1.232 25439 19650 1 27 . 1 1 16 16 PHE CB C 16 39.639 39.639 39.026 0.613 25439 19651 1 27 . 1 1 16 16 PHE H H 16 8.127 8.127 8.424 -0.297 25439 19652 1 27 . 1 1 17 17 GLU N N 17 115.695 115.695 119.321 -3.626 25439 19653 1 27 . 1 1 17 17 GLU HA H 17 3.768 3.768 3.770 -0.002 25439 19654 1 27 . 1 1 17 17 GLU CA C 17 59.234 59.234 59.335 -0.101 25439 19655 1 27 . 1 1 17 17 GLU CB C 17 28.495 28.495 29.359 -0.864 25439 19656 1 27 . 1 1 17 17 GLU H H 17 9.088 9.088 8.107 0.981 25439 19657 1 27 . 1 1 18 18 LYS N N 18 115.887 115.887 117.506 -1.619 25439 19658 1 27 . 1 1 18 18 LYS HA H 18 4.165 4.165 4.074 0.091 25439 19659 1 27 . 1 1 18 18 LYS CA C 18 58.249 58.249 58.731 -0.482 25439 19660 1 27 . 1 1 18 18 LYS CB C 18 32.725 32.725 32.792 -0.067 25439 19661 1 27 . 1 1 18 18 LYS H H 18 7.285 7.285 8.041 -0.756 25439 19662 1 27 . 1 1 19 19 ILE N N 19 110.277 110.277 110.790 -0.513 25439 19663 1 27 . 1 1 19 19 ILE HA H 19 4.722 4.722 4.707 0.015 25439 19664 1 27 . 1 1 19 19 ILE CA C 19 61.093 61.093 60.037 1.056 25439 19665 1 27 . 1 1 19 19 ILE CB C 19 39.139 39.139 38.071 1.068 25439 19666 1 27 . 1 1 19 19 ILE H H 19 7.031 7.031 7.561 -0.530 25439 19667 1 27 . 1 1 20 20 LYS N N 20 124.540 124.540 122.559 1.981 25439 19668 1 27 . 1 1 20 20 LYS HA H 20 3.603 3.603 3.838 -0.235 25439 19669 1 27 . 1 1 20 20 LYS CA C 20 60.917 60.917 59.795 1.122 25439 19670 1 27 . 1 1 20 20 LYS CB C 20 30.210 30.210 30.444 -0.234 25439 19671 1 27 . 1 1 20 20 LYS H H 20 7.666 7.666 7.453 0.213 25439 19672 1 27 . 1 1 21 21 PRO HA H 21 4.292 4.292 4.602 -0.310 25439 19673 1 27 . 1 1 21 21 PRO CA C 21 66.990 66.990 65.275 1.715 25439 19674 1 27 . 1 1 21 21 PRO CB C 21 30.779 30.779 31.488 -0.709 25439 19675 1 27 . 1 1 22 22 THR N N 22 114.917 114.917 115.415 -0.498 25439 19676 1 27 . 1 1 22 22 THR HA H 22 3.866 3.866 4.090 -0.224 25439 19677 1 27 . 1 1 22 22 THR CA C 22 66.575 66.575 66.766 -0.191 25439 19678 1 27 . 1 1 22 22 THR CB C 22 68.731 68.731 68.200 0.531 25439 19679 1 27 . 1 1 22 22 THR H H 22 7.331 7.331 8.452 -1.121 25439 19680 1 27 . 1 1 23 23 LEU N N 23 120.152 120.152 120.216 -0.064 25439 19681 1 27 . 1 1 23 23 LEU HA H 23 4.397 4.397 4.089 0.308 25439 19682 1 27 . 1 1 23 23 LEU CA C 23 58.740 58.740 57.580 1.160 25439 19683 1 27 . 1 1 23 23 LEU CB C 23 40.489 40.489 41.663 -1.174 25439 19684 1 27 . 1 1 23 23 LEU H H 23 7.991 7.991 7.602 0.389 25439 19685 1 27 . 1 1 24 24 THR N N 24 119.365 119.365 115.554 3.811 25439 19686 1 27 . 1 1 24 24 THR HA H 24 4.095 4.095 3.949 0.146 25439 19687 1 27 . 1 1 24 24 THR CA C 24 66.834 66.834 66.642 0.192 25439 19688 1 27 . 1 1 24 24 THR CB C 24 68.614 68.614 68.368 0.246 25439 19689 1 27 . 1 1 24 24 THR H H 24 9.175 9.175 7.586 1.589 25439 19690 1 27 . 1 1 25 25 ASP N N 25 122.865 122.865 122.261 0.604 25439 19691 1 27 . 1 1 25 25 ASP HA H 25 4.483 4.483 4.346 0.137 25439 19692 1 27 . 1 1 25 25 ASP CA C 25 58.158 58.158 57.271 0.887 25439 19693 1 27 . 1 1 25 25 ASP CB C 25 40.329 40.329 40.593 -0.264 25439 19694 1 27 . 1 1 25 25 ASP H H 25 7.714 7.714 7.830 -0.116 25439 19695 1 27 . 1 1 26 26 PHE N N 26 116.182 116.182 118.057 -1.875 25439 19696 1 27 . 1 1 26 26 PHE HA H 26 4.457 4.457 4.173 0.284 25439 19697 1 27 . 1 1 26 26 PHE CA C 26 62.531 62.531 61.693 0.838 25439 19698 1 27 . 1 1 26 26 PHE CB C 26 39.468 39.468 38.913 0.555 25439 19699 1 27 . 1 1 26 26 PHE H H 26 7.816 7.816 7.834 -0.018 25439 19700 1 27 . 1 1 27 27 GLU N N 27 120.107 120.107 118.466 1.641 25439 19701 1 27 . 1 1 27 27 GLU HA H 27 4.113 4.113 4.101 0.012 25439 19702 1 27 . 1 1 27 27 GLU CA C 27 59.852 59.852 59.364 0.488 25439 19703 1 27 . 1 1 27 27 GLU CB C 27 29.692 29.692 29.146 0.546 25439 19704 1 27 . 1 1 27 27 GLU H H 27 8.068 8.068 7.956 0.112 25439 19705 1 27 . 1 1 28 28 ILE N N 28 121.494 121.494 119.174 2.320 25439 19706 1 27 . 1 1 28 28 ILE HA H 28 3.718 3.718 3.883 -0.165 25439 19707 1 27 . 1 1 28 28 ILE CA C 28 65.002 65.002 64.343 0.659 25439 19708 1 27 . 1 1 28 28 ILE CB C 28 38.023 38.023 38.135 -0.112 25439 19709 1 27 . 1 1 28 28 ILE H H 28 8.531 8.531 7.637 0.894 25439 19710 1 27 . 1 1 29 29 GLN N N 29 118.941 118.941 120.031 -1.090 25439 19711 1 27 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.131 0.049 25439 19712 1 27 . 1 1 29 29 GLN CA C 29 59.507 59.507 58.743 0.763 25439 19713 1 27 . 1 1 29 29 GLN CB C 29 29.783 29.783 28.492 1.291 25439 19714 1 27 . 1 1 29 29 GLN H H 29 8.117 8.117 7.626 0.491 25439 19715 1 27 . 1 1 30 30 LEU N N 30 121.724 121.724 120.441 1.283 25439 19716 1 27 . 1 1 30 30 LEU HA H 30 4.032 4.032 4.144 -0.112 25439 19717 1 27 . 1 1 30 30 LEU CA C 30 58.333 58.333 57.720 0.613 25439 19718 1 27 . 1 1 30 30 LEU CB C 30 42.339 42.339 42.095 0.244 25439 19719 1 27 . 1 1 30 30 LEU H H 30 8.677 8.677 8.664 0.013 25439 19720 1 27 . 1 1 31 31 ARG N N 31 120.629 120.629 118.833 1.796 25439 19721 1 27 . 1 1 31 31 ARG HA H 31 4.105 4.105 4.007 0.098 25439 19722 1 27 . 1 1 31 31 ARG CA C 31 59.340 59.340 59.291 0.049 25439 19723 1 27 . 1 1 31 31 ARG CB C 31 30.044 30.044 29.395 0.649 25439 19724 1 27 . 1 1 31 31 ARG H H 31 8.227 8.227 7.875 0.352 25439 19725 1 27 . 1 1 32 32 ASP N N 32 120.233 120.233 120.892 -0.659 25439 19726 1 27 . 1 1 32 32 ASP HA H 32 4.484 4.484 4.402 0.082 25439 19727 1 27 . 1 1 32 32 ASP CA C 32 57.199 57.199 57.786 -0.587 25439 19728 1 27 . 1 1 32 32 ASP CB C 32 40.202 40.202 40.864 -0.662 25439 19729 1 27 . 1 1 32 32 ASP H H 32 8.407 8.407 7.626 0.781 25439 19730 1 27 . 1 1 33 33 ALA N N 33 121.939 121.939 122.523 -0.584 25439 19731 1 27 . 1 1 33 33 ALA HA H 33 4.321 4.321 4.041 0.280 25439 19732 1 27 . 1 1 33 33 ALA CA C 33 54.207 54.207 55.213 -1.006 25439 19733 1 27 . 1 1 33 33 ALA CB C 33 18.738 18.738 18.261 0.478 25439 19734 1 27 . 1 1 33 33 ALA H H 33 8.057 8.057 7.562 0.495 25439 19735 1 27 . 1 1 34 34 GLN N N 34 114.736 114.736 116.576 -1.840 25439 19736 1 27 . 1 1 34 34 GLN HA H 34 4.248 4.248 4.001 0.247 25439 19737 1 27 . 1 1 34 34 GLN CA C 34 56.567 56.567 58.926 -2.359 25439 19738 1 27 . 1 1 34 34 GLN CB C 34 29.743 29.743 28.455 1.288 25439 19739 1 27 . 1 1 34 34 GLN H H 34 7.746 7.746 8.107 -0.361 25439 19740 1 27 . 1 1 35 35 LYS N N 35 120.534 120.534 118.667 1.867 25439 19741 1 27 . 1 1 35 35 LYS HA H 35 4.232 4.232 4.236 -0.004 25439 19742 1 27 . 1 1 35 35 LYS CA C 35 57.427 57.427 58.358 -0.932 25439 19743 1 27 . 1 1 35 35 LYS CB C 35 32.887 32.887 32.742 0.145 25439 19744 1 27 . 1 1 35 35 LYS H H 35 7.570 7.570 7.503 0.067 25439 19745 1 27 . 1 1 36 36 ASP N N 36 120.943 120.943 120.906 0.037 25439 19746 1 27 . 1 1 36 36 ASP HA H 36 4.595 4.595 4.423 0.172 25439 19747 1 27 . 1 1 36 36 ASP CA C 36 54.983 54.983 57.265 -2.282 25439 19748 1 27 . 1 1 36 36 ASP CB C 36 41.129 41.129 40.650 0.479 25439 19749 1 27 . 1 1 36 36 ASP H H 36 8.375 8.375 8.576 -0.201 25439 19750 1 27 . 1 1 37 37 LYS N N 37 122.598 122.598 119.192 3.406 25439 19751 1 27 . 1 1 37 37 LYS HA H 37 4.365 4.365 3.994 0.371 25439 19752 1 27 . 1 1 37 37 LYS CA C 37 56.725 56.725 59.216 -2.491 25439 19753 1 27 . 1 1 37 37 LYS CB C 37 32.823 32.823 32.699 0.124 25439 19754 1 27 . 1 1 37 37 LYS H H 37 8.446 8.446 7.964 0.482 25439 19755 1 27 . 1 1 38 38 SER N N 38 115.849 115.849 113.885 1.964 25439 19756 1 27 . 1 1 38 38 SER HA H 38 4.423 4.423 4.638 -0.215 25439 19757 1 27 . 1 1 38 38 SER CA C 38 59.193 59.193 57.036 2.157 25439 19758 1 27 . 1 1 38 38 SER CB C 38 63.744 63.744 63.155 0.589 25439 19759 1 27 . 1 1 38 38 SER H H 38 8.392 8.392 7.451 0.941 25439 19760 1 27 . 1 1 39 39 SER N N 39 117.258 117.258 116.645 0.613 25439 19761 1 27 . 1 1 39 39 SER HA H 39 4.445 4.445 4.574 -0.129 25439 19762 1 27 . 1 1 39 39 SER CA C 39 58.933 58.933 57.726 1.207 25439 19763 1 27 . 1 1 39 39 SER CB C 39 63.711 63.711 63.245 0.466 25439 19764 1 27 . 1 1 39 39 SER H H 39 8.283 8.283 7.792 0.491 25439 19765 1 27 . 1 1 40 40 LYS N N 40 122.427 122.427 125.194 -2.767 25439 19766 1 27 . 1 1 40 40 LYS HA H 40 4.321 4.321 3.926 0.395 25439 19767 1 27 . 1 1 40 40 LYS CA C 40 56.847 56.847 57.169 -0.322 25439 19768 1 27 . 1 1 40 40 LYS CB C 40 32.764 32.764 31.841 0.923 25439 19769 1 27 . 1 1 40 40 LYS H H 40 8.263 8.263 8.873 -0.610 25439 19770 1 27 . 1 1 41 41 LEU N N 41 121.281 121.281 116.344 4.937 25439 19771 1 27 . 1 1 41 41 LEU HA H 41 4.308 4.308 3.997 0.311 25439 19772 1 27 . 1 1 41 41 LEU CA C 41 55.335 55.335 55.971 -0.636 25439 19773 1 27 . 1 1 41 41 LEU CB C 41 42.212 42.212 41.419 0.793 25439 19774 1 27 . 1 1 41 41 LEU H H 41 8.068 8.068 7.931 0.137 25439 19775 1 27 . 1 1 42 42 ALA N N 42 123.964 123.964 128.934 -4.970 25439 19776 1 27 . 1 1 42 42 ALA HA H 42 4.274 4.274 4.478 -0.204 25439 19777 1 27 . 1 1 42 42 ALA CA C 42 52.851 52.851 51.541 1.310 25439 19778 1 27 . 1 1 42 42 ALA CB C 42 19.135 19.135 20.870 -1.735 25439 19779 1 27 . 1 1 42 42 ALA H H 42 8.111 8.111 8.314 -0.203 25439 19780 1 27 . 1 1 43 43 ALA N N 43 122.146 122.146 121.120 1.026 25439 19781 1 27 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.483 -0.186 25439 19782 1 27 . 1 1 43 43 ALA CA C 43 52.727 52.727 51.258 1.470 25439 19783 1 27 . 1 1 43 43 ALA CB C 43 19.318 19.318 19.969 -0.651 25439 19784 1 27 . 1 1 43 43 ALA H H 43 8.101 8.101 7.912 0.189 25439 19785 1 27 . 1 1 44 44 LYS N N 44 119.454 119.454 118.303 1.151 25439 19786 1 27 . 1 1 44 44 LYS HA H 44 4.349 4.349 3.955 0.394 25439 19787 1 27 . 1 1 44 44 LYS CA C 44 56.267 56.267 56.693 -0.426 25439 19788 1 27 . 1 1 44 44 LYS CB C 44 32.825 32.825 31.510 1.315 25439 19789 1 27 . 1 1 44 44 LYS H H 44 8.198 8.198 8.514 -0.316 25439 19790 1 27 . 1 1 45 45 SER N N 45 116.660 116.660 113.382 3.278 25439 19791 1 27 . 1 1 45 45 SER HA H 45 4.368 4.368 4.280 0.088 25439 19792 1 27 . 1 1 45 45 SER CA C 45 58.477 58.477 59.937 -1.460 25439 19793 1 27 . 1 1 45 45 SER CB C 45 64.063 64.063 63.863 0.200 25439 19794 1 27 . 1 1 45 45 SER H H 45 8.251 8.251 8.373 -0.122 25439 19795 1 27 . 1 1 46 46 ASN N N 46 120.516 120.516 120.450 0.066 25439 19796 1 27 . 1 1 46 46 ASN HA H 46 4.361 4.361 4.285 0.076 25439 19797 1 27 . 1 1 46 46 ASN CA C 46 54.657 54.657 55.554 -0.897 25439 19798 1 27 . 1 1 46 46 ASN CB C 46 37.649 37.649 38.231 -0.582 25439 19799 1 27 . 1 1 46 46 ASN H H 46 8.498 8.498 8.502 -0.004 25439 19800 1 27 . 1 1 47 47 GLU N N 47 117.964 117.964 116.933 1.031 25439 19801 1 27 . 1 1 47 47 GLU HA H 47 3.350 3.350 2.783 0.567 25439 19802 1 27 . 1 1 47 47 GLU CA C 47 59.213 59.213 58.952 0.261 25439 19803 1 27 . 1 1 47 47 GLU CB C 47 28.998 28.998 28.967 0.031 25439 19804 1 27 . 1 1 47 47 GLU H H 47 8.016 8.016 8.205 -0.189 25439 19805 1 27 . 1 1 48 48 GLN N N 48 119.468 119.468 119.079 0.389 25439 19806 1 27 . 1 1 48 48 GLN HA H 48 4.250 4.250 4.043 0.207 25439 19807 1 27 . 1 1 48 48 GLN CA C 48 58.529 58.529 58.419 0.110 25439 19808 1 27 . 1 1 48 48 GLN CB C 48 28.902 28.902 27.944 0.958 25439 19809 1 27 . 1 1 48 48 GLN H H 48 7.892 7.892 7.370 0.522 25439 19810 1 27 . 1 1 49 49 LEU N N 49 120.145 120.145 120.127 0.018 25439 19811 1 27 . 1 1 49 49 LEU HA H 49 4.232 4.232 3.964 0.268 25439 19812 1 27 . 1 1 49 49 LEU CA C 49 57.479 57.479 57.892 -0.413 25439 19813 1 27 . 1 1 49 49 LEU CB C 49 41.391 41.391 41.852 -0.461 25439 19814 1 27 . 1 1 49 49 LEU H H 49 7.699 7.699 7.396 0.303 25439 19815 1 27 . 1 1 50 50 TRP N N 50 119.596 119.596 117.868 1.728 25439 19816 1 27 . 1 1 50 50 TRP HA H 50 4.520 4.520 4.394 0.126 25439 19817 1 27 . 1 1 50 50 TRP CA C 50 58.353 58.353 58.563 -0.210 25439 19818 1 27 . 1 1 50 50 TRP CB C 50 28.880 28.880 28.029 0.851 25439 19819 1 27 . 1 1 50 50 TRP H H 50 8.385 8.385 7.496 0.889 25439 19820 1 27 . 1 1 51 51 GLU N N 51 119.362 119.362 118.536 0.826 25439 19821 1 27 . 1 1 51 51 GLU HA H 51 4.145 4.145 4.078 0.067 25439 19822 1 27 . 1 1 51 51 GLU CA C 51 60.035 60.035 59.479 0.556 25439 19823 1 27 . 1 1 51 51 GLU CB C 51 29.675 29.675 29.269 0.406 25439 19824 1 27 . 1 1 51 51 GLU H H 51 8.223 8.223 7.846 0.377 25439 19825 1 27 . 1 1 52 52 ILE N N 52 119.018 119.018 119.510 -0.492 25439 19826 1 27 . 1 1 52 52 ILE HA H 52 3.673 3.673 3.721 -0.048 25439 19827 1 27 . 1 1 52 52 ILE CA C 52 65.511 65.511 65.192 0.319 25439 19828 1 27 . 1 1 52 52 ILE CB C 52 38.532 38.532 38.071 0.461 25439 19829 1 27 . 1 1 52 52 ILE H H 52 7.801 7.801 7.353 0.448 25439 19830 1 27 . 1 1 53 53 MET N N 53 118.133 118.133 117.641 0.492 25439 19831 1 27 . 1 1 53 53 MET HA H 53 4.452 4.452 4.134 0.318 25439 19832 1 27 . 1 1 53 53 MET CA C 53 58.216 58.216 58.591 -0.375 25439 19833 1 27 . 1 1 53 53 MET CB C 53 31.838 31.838 32.385 -0.547 25439 19834 1 27 . 1 1 53 53 MET H H 53 8.411 8.411 7.730 0.681 25439 19835 1 27 . 1 1 54 54 GLN N N 54 120.855 120.855 119.519 1.336 25439 19836 1 27 . 1 1 54 54 GLN HA H 54 4.333 4.333 3.968 0.365 25439 19837 1 27 . 1 1 54 54 GLN CA C 54 59.004 59.004 59.072 -0.068 25439 19838 1 27 . 1 1 54 54 GLN CB C 54 27.824 27.824 28.770 -0.946 25439 19839 1 27 . 1 1 54 54 GLN H H 54 8.860 8.860 8.364 0.496 25439 19840 1 27 . 1 1 55 55 LEU N N 55 122.788 122.788 119.870 2.918 25439 19841 1 27 . 1 1 55 55 LEU HA H 55 4.302 4.302 4.190 0.112 25439 19842 1 27 . 1 1 55 55 LEU CA C 55 58.685 58.685 58.103 0.582 25439 19843 1 27 . 1 1 55 55 LEU CB C 55 42.695 42.695 41.774 0.921 25439 19844 1 27 . 1 1 55 55 LEU H H 55 8.298 8.298 8.162 0.136 25439 19845 1 27 . 1 1 56 56 HIS N N 56 118.426 118.426 118.017 0.409 25439 19846 1 27 . 1 1 56 56 HIS HA H 56 4.317 4.317 4.231 0.086 25439 19847 1 27 . 1 1 56 56 HIS CA C 56 60.732 60.732 60.085 0.647 25439 19848 1 27 . 1 1 56 56 HIS CB C 56 30.530 30.530 29.570 0.960 25439 19849 1 27 . 1 1 56 56 HIS H H 56 8.416 8.416 7.852 0.564 25439 19850 1 27 . 1 1 57 57 HIS N N 57 121.197 121.197 119.658 1.539 25439 19851 1 27 . 1 1 57 57 HIS HA H 57 4.318 4.318 4.535 -0.217 25439 19852 1 27 . 1 1 57 57 HIS CA C 57 60.739 60.739 58.827 1.912 25439 19853 1 27 . 1 1 57 57 HIS CB C 57 28.726 28.726 30.130 -1.404 25439 19854 1 27 . 1 1 57 57 HIS H H 57 8.608 8.608 8.309 0.299 25439 19855 1 27 . 1 1 58 58 GLN N N 58 118.739 118.739 118.778 -0.039 25439 19856 1 27 . 1 1 58 58 GLN HA H 58 4.202 4.202 4.169 0.033 25439 19857 1 27 . 1 1 58 58 GLN CA C 58 59.507 59.507 59.546 -0.039 25439 19858 1 27 . 1 1 58 58 GLN CB C 58 29.111 29.111 28.628 0.483 25439 19859 1 27 . 1 1 58 58 GLN H H 58 9.206 9.206 8.245 0.961 25439 19860 1 27 . 1 1 59 59 ARG N N 59 122.498 122.498 120.235 2.263 25439 19861 1 27 . 1 1 59 59 ARG HA H 59 3.437 3.437 3.749 -0.312 25439 19862 1 27 . 1 1 59 59 ARG CA C 59 60.361 60.361 59.636 0.725 25439 19863 1 27 . 1 1 59 59 ARG H H 59 8.623 8.623 8.287 0.336 25439 19864 1 27 . 1 1 60 60 SER N N 60 114.930 114.930 115.365 -0.435 25439 19865 1 27 . 1 1 60 60 SER HA H 60 4.515 4.515 4.236 0.279 25439 19866 1 27 . 1 1 60 60 SER CA C 60 64.832 64.832 62.145 2.688 25439 19867 1 27 . 1 1 60 60 SER CB C 60 63.583 63.583 62.907 0.676 25439 19868 1 27 . 1 1 60 60 SER H H 60 7.993 7.993 8.524 -0.531 25439 19869 1 27 . 1 1 61 61 ARG N N 61 124.417 124.417 122.563 1.854 25439 19870 1 27 . 1 1 61 61 ARG HA H 61 4.204 4.204 4.077 0.127 25439 19871 1 27 . 1 1 61 61 ARG CA C 61 58.852 58.852 59.790 -0.938 25439 19872 1 27 . 1 1 61 61 ARG CB C 61 29.077 29.077 30.267 -1.190 25439 19873 1 27 . 1 1 61 61 ARG H H 61 9.569 9.569 8.707 0.862 25439 19874 1 27 . 1 1 62 62 TYR N N 62 124.484 124.484 121.143 3.341 25439 19875 1 27 . 1 1 62 62 TYR HA H 62 4.676 4.676 4.284 0.392 25439 19876 1 27 . 1 1 62 62 TYR CA C 62 61.006 61.006 62.051 -1.045 25439 19877 1 27 . 1 1 62 62 TYR CB C 62 38.392 38.392 38.706 -0.314 25439 19878 1 27 . 1 1 62 62 TYR H H 62 8.622 8.622 8.517 0.105 25439 19879 1 27 . 1 1 63 63 ILE N N 63 119.789 119.789 119.124 0.665 25439 19880 1 27 . 1 1 63 63 ILE HA H 63 3.492 3.492 3.749 -0.257 25439 19881 1 27 . 1 1 63 63 ILE CA C 63 65.693 65.693 65.648 0.045 25439 19882 1 27 . 1 1 63 63 ILE CB C 63 38.023 38.023 38.213 -0.190 25439 19883 1 27 . 1 1 63 63 ILE H H 63 7.588 7.588 8.397 -0.809 25439 19884 1 27 . 1 1 64 64 TYR N N 64 120.485 120.485 121.402 -0.917 25439 19885 1 27 . 1 1 64 64 TYR HA H 64 4.577 4.577 4.264 0.313 25439 19886 1 27 . 1 1 64 64 TYR CA C 64 61.759 61.759 62.806 -1.047 25439 19887 1 27 . 1 1 64 64 TYR CB C 64 39.772 39.772 38.594 1.178 25439 19888 1 27 . 1 1 64 64 TYR H H 64 9.166 9.166 9.202 -0.036 25439 19889 1 27 . 1 1 65 65 THR N N 65 117.072 117.072 117.124 -0.052 25439 19890 1 27 . 1 1 65 65 THR HA H 65 3.562 3.562 3.895 -0.333 25439 19891 1 27 . 1 1 65 65 THR CA C 65 67.016 67.016 67.514 -0.498 25439 19892 1 27 . 1 1 65 65 THR CB C 65 68.711 68.711 68.846 -0.135 25439 19893 1 27 . 1 1 65 65 THR H H 65 8.987 8.987 8.754 0.233 25439 19894 1 27 . 1 1 66 66 LEU N N 66 122.107 122.107 121.048 1.059 25439 19895 1 27 . 1 1 66 66 LEU HA H 66 3.782 3.782 4.234 -0.452 25439 19896 1 27 . 1 1 66 66 LEU CA C 66 58.476 58.476 58.157 0.319 25439 19897 1 27 . 1 1 66 66 LEU CB C 66 43.183 43.183 40.947 2.236 25439 19898 1 27 . 1 1 66 66 LEU H H 66 8.286 8.286 7.690 0.596 25439 19899 1 27 . 1 1 67 67 TYR N N 67 115.264 115.264 119.302 -4.038 25439 19900 1 27 . 1 1 67 67 TYR HA H 67 4.344 4.344 4.074 0.270 25439 19901 1 27 . 1 1 67 67 TYR CA C 67 60.830 60.830 61.329 -0.499 25439 19902 1 27 . 1 1 67 67 TYR CB C 67 40.376 40.376 39.648 0.728 25439 19903 1 27 . 1 1 67 67 TYR H H 67 7.983 7.983 8.252 -0.269 25439 19904 1 27 . 1 1 68 68 TYR N N 68 113.945 113.945 116.096 -2.151 25439 19905 1 27 . 1 1 68 68 TYR HA H 68 3.699 3.699 4.205 -0.506 25439 19906 1 27 . 1 1 68 68 TYR CA C 68 62.030 62.030 59.801 2.229 25439 19907 1 27 . 1 1 68 68 TYR CB C 68 38.046 38.046 38.337 -0.291 25439 19908 1 27 . 1 1 68 68 TYR H H 68 8.297 8.297 7.878 0.419 25439 19909 1 27 . 1 1 69 69 LYS N N 69 114.346 114.346 118.292 -3.946 25439 19910 1 27 . 1 1 69 69 LYS HA H 69 4.564 4.564 4.487 0.077 25439 19911 1 27 . 1 1 69 69 LYS CA C 69 56.821 56.821 56.569 0.252 25439 19912 1 27 . 1 1 69 69 LYS CB C 69 31.980 31.980 33.518 -1.538 25439 19913 1 27 . 1 1 69 69 LYS H H 69 7.084 7.084 7.447 -0.363 25439 19914 1 27 . 1 1 70 70 ARG N N 70 114.676 114.676 119.222 -4.546 25439 19915 1 27 . 1 1 70 70 ARG HA H 70 4.251 4.251 4.093 0.158 25439 19916 1 27 . 1 1 70 70 ARG CA C 70 56.314 56.314 57.021 -0.707 25439 19917 1 27 . 1 1 70 70 ARG CB C 70 31.128 31.128 30.407 0.721 25439 19918 1 27 . 1 1 70 70 ARG H H 70 8.178 8.178 8.262 -0.084 25439 19919 1 27 . 1 1 71 71 LYS N N 71 115.371 115.371 115.362 0.009 25439 19920 1 27 . 1 1 71 71 LYS HA H 71 4.036 4.036 3.800 0.236 25439 19921 1 27 . 1 1 71 71 LYS CA C 71 57.121 57.121 57.235 -0.114 25439 19922 1 27 . 1 1 71 71 LYS CB C 71 28.897 28.897 30.315 -1.418 25439 19923 1 27 . 1 1 71 71 LYS H H 71 6.843 6.843 7.715 -0.872 25439 19924 1 27 . 1 1 72 72 ALA N N 72 117.701 117.701 121.108 -3.407 25439 19925 1 27 . 1 1 72 72 ALA HA H 72 4.395 4.395 4.466 -0.071 25439 19926 1 27 . 1 1 72 72 ALA CA C 72 52.597 52.597 51.759 0.838 25439 19927 1 27 . 1 1 72 72 ALA CB C 72 21.560 21.560 19.957 1.603 25439 19928 1 27 . 1 1 72 72 ALA H H 72 8.560 8.560 7.604 0.956 25439 19929 1 27 . 1 1 73 73 ILE N N 73 107.605 107.605 116.709 -9.104 25439 19930 1 27 . 1 1 73 73 ILE CB C 73 42.724 42.724 41.233 1.491 25439 19931 1 27 . 1 1 73 73 ILE H H 73 7.074 7.074 7.464 -0.390 25439 19932 1 27 . 1 1 74 74 SER N N 74 118.425 118.425 118.172 0.253 25439 19933 1 27 . 1 1 74 74 SER HA H 74 4.484 4.484 4.912 -0.427 25439 19934 1 27 . 1 1 74 74 SER CA C 74 57.082 57.082 56.326 0.756 25439 19935 1 27 . 1 1 74 74 SER CB C 74 65.396 65.396 64.688 0.708 25439 19936 1 27 . 1 1 74 74 SER H H 74 8.797 8.797 8.430 0.367 25439 19937 1 27 . 1 1 75 75 LYS N N 75 121.891 121.891 126.640 -4.749 25439 19938 1 27 . 1 1 75 75 LYS HA H 75 3.851 3.851 4.196 -0.345 25439 19939 1 27 . 1 1 75 75 LYS CA C 75 59.624 59.624 59.710 -0.086 25439 19940 1 27 . 1 1 75 75 LYS CB C 75 32.368 32.368 32.613 -0.245 25439 19941 1 27 . 1 1 75 75 LYS H H 75 9.024 9.024 9.176 -0.152 25439 19942 1 27 . 1 1 76 76 ASP N N 76 115.908 115.908 120.319 -4.411 25439 19943 1 27 . 1 1 76 76 ASP HA H 76 4.423 4.423 4.388 0.035 25439 19944 1 27 . 1 1 76 76 ASP CA C 76 57.362 57.362 57.663 -0.302 25439 19945 1 27 . 1 1 76 76 ASP CB C 76 40.391 40.391 40.459 -0.068 25439 19946 1 27 . 1 1 76 76 ASP H H 76 8.161 8.161 7.839 0.322 25439 19947 1 27 . 1 1 77 77 LEU N N 77 121.705 121.705 121.181 0.524 25439 19948 1 27 . 1 1 77 77 LEU HA H 77 4.180 4.180 4.065 0.115 25439 19949 1 27 . 1 1 77 77 LEU CA C 77 57.818 57.818 57.782 0.036 25439 19950 1 27 . 1 1 77 77 LEU H H 77 8.345 8.345 7.754 0.591 25439 19951 1 27 . 1 1 78 78 TYR N N 78 121.511 121.511 119.905 1.606 25439 19952 1 27 . 1 1 78 78 TYR HA H 78 3.789 3.789 3.958 -0.169 25439 19953 1 27 . 1 1 78 78 TYR CA C 78 62.857 62.857 60.388 2.469 25439 19954 1 27 . 1 1 78 78 TYR CB C 78 38.369 38.369 37.679 0.690 25439 19955 1 27 . 1 1 78 78 TYR H H 78 8.598 8.598 8.457 0.141 25439 19956 1 27 . 1 1 79 79 ASP N N 79 117.189 117.189 119.792 -2.603 25439 19957 1 27 . 1 1 79 79 ASP HA H 79 4.066 4.066 3.992 0.074 25439 19958 1 27 . 1 1 79 79 ASP CA C 79 57.219 57.219 57.602 -0.383 25439 19959 1 27 . 1 1 79 79 ASP CB C 79 40.003 40.003 40.644 -0.641 25439 19960 1 27 . 1 1 79 79 ASP H H 79 9.106 9.106 8.553 0.553 25439 19961 1 27 . 1 1 80 80 TRP N N 80 123.400 123.400 121.860 1.540 25439 19962 1 27 . 1 1 80 80 TRP HA H 80 4.160 4.160 4.094 0.066 25439 19963 1 27 . 1 1 80 80 TRP CA C 80 62.368 62.368 61.902 0.466 25439 19964 1 27 . 1 1 80 80 TRP CB C 80 29.969 29.969 29.374 0.595 25439 19965 1 27 . 1 1 80 80 TRP H H 80 7.931 7.931 8.280 -0.349 25439 19966 1 27 . 1 1 81 81 LEU N N 81 119.674 119.674 118.850 0.824 25439 19967 1 27 . 1 1 81 81 LEU HA H 81 3.971 3.971 2.566 1.405 25439 19968 1 27 . 1 1 81 81 LEU CA C 81 58.294 58.294 57.735 0.559 25439 19969 1 27 . 1 1 81 81 LEU CB C 81 41.818 41.818 41.529 0.289 25439 19970 1 27 . 1 1 81 81 LEU H H 81 8.814 8.814 7.906 0.908 25439 19971 1 27 . 1 1 82 82 ILE N N 82 118.746 118.746 118.525 0.221 25439 19972 1 27 . 1 1 82 82 ILE HA H 82 3.861 3.861 3.703 0.158 25439 19973 1 27 . 1 1 82 82 ILE CA C 82 62.734 62.734 63.009 -0.275 25439 19974 1 27 . 1 1 82 82 ILE CB C 82 36.236 36.236 36.366 -0.130 25439 19975 1 27 . 1 1 82 82 ILE H H 82 7.886 7.886 7.624 0.262 25439 19976 1 27 . 1 1 83 83 LYS N N 83 124.819 124.819 119.384 5.435 25439 19977 1 27 . 1 1 83 83 LYS HA H 83 3.911 3.911 4.084 -0.173 25439 19978 1 27 . 1 1 83 83 LYS CA C 83 59.643 59.643 58.116 1.527 25439 19979 1 27 . 1 1 83 83 LYS CB C 83 32.027 32.027 32.596 -0.569 25439 19980 1 27 . 1 1 83 83 LYS H H 83 8.224 8.224 7.927 0.297 25439 19981 1 27 . 1 1 84 84 GLU N N 84 115.404 115.404 117.804 -2.400 25439 19982 1 27 . 1 1 84 84 GLU HA H 84 3.841 3.841 4.312 -0.471 25439 19983 1 27 . 1 1 84 84 GLU CA C 84 55.582 55.582 54.942 0.640 25439 19984 1 27 . 1 1 84 84 GLU CB C 84 29.459 29.459 29.069 0.390 25439 19985 1 27 . 1 1 84 84 GLU H H 84 8.138 8.138 7.325 0.813 25439 19986 1 27 . 1 1 85 85 LYS N N 85 111.563 111.563 118.271 -6.708 25439 19987 1 27 . 1 1 85 85 LYS HA H 85 3.820 3.820 3.990 -0.170 25439 19988 1 27 . 1 1 85 85 LYS CA C 85 57.890 57.890 57.167 0.723 25439 19989 1 27 . 1 1 85 85 LYS CB C 85 28.005 28.005 30.720 -2.715 25439 19990 1 27 . 1 1 85 85 LYS H H 85 7.719 7.719 7.700 0.019 25439 19991 1 27 . 1 1 86 86 TYR N N 86 116.916 116.916 119.449 -2.533 25439 19992 1 27 . 1 1 86 86 TYR HA H 86 4.137 4.137 4.424 -0.287 25439 19993 1 27 . 1 1 86 86 TYR CA C 86 61.228 61.228 58.809 2.419 25439 19994 1 27 . 1 1 86 86 TYR CB C 86 39.535 39.535 40.343 -0.808 25439 19995 1 27 . 1 1 86 86 TYR H H 86 8.521 8.521 8.059 0.462 25439 19996 1 27 . 1 1 87 87 ALA N N 87 113.715 113.715 119.531 -5.816 25439 19997 1 27 . 1 1 87 87 ALA HA H 87 4.738 4.738 4.196 0.542 25439 19998 1 27 . 1 1 87 87 ALA CA C 87 49.121 49.121 50.419 -1.298 25439 19999 1 27 . 1 1 87 87 ALA CB C 87 23.295 23.295 21.506 1.789 25439 20000 1 27 . 1 1 87 87 ALA H H 87 6.959 6.959 7.587 -0.628 25439 20001 1 27 . 1 1 88 88 ASP N N 88 119.344 119.344 119.033 0.311 25439 20002 1 27 . 1 1 88 88 ASP HA H 88 4.544 4.544 4.905 -0.361 25439 20003 1 27 . 1 1 88 88 ASP CA C 88 52.714 52.714 53.276 -0.562 25439 20004 1 27 . 1 1 88 88 ASP CB C 88 41.845 41.845 42.764 -0.919 25439 20005 1 27 . 1 1 88 88 ASP H H 88 7.870 7.870 8.544 -0.674 25439 20006 1 27 . 1 1 89 89 LYS N N 89 125.312 125.312 126.339 -1.027 25439 20007 1 27 . 1 1 89 89 LYS HA H 89 3.834 3.834 4.182 -0.348 25439 20008 1 27 . 1 1 89 89 LYS CA C 89 59.409 59.409 59.251 0.158 25439 20009 1 27 . 1 1 89 89 LYS CB C 89 32.848 32.848 32.875 -0.027 25439 20010 1 27 . 1 1 89 89 LYS H H 89 8.467 8.467 8.790 -0.323 25439 20011 1 27 . 1 1 90 90 LEU N N 90 119.899 119.899 120.558 -0.659 25439 20012 1 27 . 1 1 90 90 LEU HA H 90 4.023 4.023 4.065 -0.042 25439 20013 1 27 . 1 1 90 90 LEU CA C 90 57.049 57.049 57.624 -0.575 25439 20014 1 27 . 1 1 90 90 LEU CB C 90 41.099 41.099 41.038 0.061 25439 20015 1 27 . 1 1 90 90 LEU H H 90 8.076 8.076 7.918 0.158 25439 20016 1 27 . 1 1 91 91 LEU N N 91 123.148 123.148 120.468 2.680 25439 20017 1 27 . 1 1 91 91 LEU HA H 91 3.498 3.498 3.655 -0.157 25439 20018 1 27 . 1 1 91 91 LEU CA C 91 56.971 56.971 57.825 -0.854 25439 20019 1 27 . 1 1 91 91 LEU CB C 91 41.823 41.823 41.592 0.231 25439 20020 1 27 . 1 1 91 91 LEU H H 91 7.120 7.120 7.656 -0.536 25439 20021 1 27 . 1 1 92 92 ILE N N 92 116.780 116.780 118.323 -1.543 25439 20022 1 27 . 1 1 92 92 ILE HA H 92 3.265 3.265 3.658 -0.393 25439 20023 1 27 . 1 1 92 92 ILE CA C 92 65.178 65.178 65.244 -0.066 25439 20024 1 27 . 1 1 92 92 ILE CB C 92 38.209 38.209 37.650 0.559 25439 20025 1 27 . 1 1 92 92 ILE H H 92 7.384 7.384 7.690 -0.306 25439 20026 1 27 . 1 1 93 93 ALA N N 93 117.061 117.061 122.537 -5.476 25439 20027 1 27 . 1 1 93 93 ALA HA H 93 3.930 3.930 4.032 -0.102 25439 20028 1 27 . 1 1 93 93 ALA CA C 93 54.839 54.839 55.444 -0.605 25439 20029 1 27 . 1 1 93 93 ALA CB C 93 18.125 18.125 18.204 -0.079 25439 20030 1 27 . 1 1 93 93 ALA H H 93 7.437 7.437 8.458 -1.021 25439 20031 1 27 . 1 1 94 94 LYS N N 94 116.036 116.036 119.009 -2.973 25439 20032 1 27 . 1 1 94 94 LYS HA H 94 3.803 3.803 3.518 0.285 25439 20033 1 27 . 1 1 94 94 LYS CA C 94 56.945 56.945 58.428 -1.484 25439 20034 1 27 . 1 1 94 94 LYS CB C 94 31.047 31.047 31.589 -0.542 25439 20035 1 27 . 1 1 94 94 LYS H H 94 7.012 7.012 8.072 -1.060 25439 20036 1 27 . 1 1 95 95 TRP N N 95 118.700 118.700 116.547 2.153 25439 20037 1 27 . 1 1 95 95 TRP HA H 95 4.814 4.814 4.490 0.324 25439 20038 1 27 . 1 1 95 95 TRP CA C 95 57.136 57.136 59.317 -2.181 25439 20039 1 27 . 1 1 95 95 TRP CB C 95 28.171 28.171 29.012 -0.841 25439 20040 1 27 . 1 1 95 95 TRP H H 95 7.611 7.611 7.766 -0.155 25439 20041 1 27 . 1 1 96 96 ARG N N 96 113.031 113.031 116.165 -3.134 25439 20042 1 27 . 1 1 96 96 ARG HA H 96 4.233 4.233 4.285 -0.052 25439 20043 1 27 . 1 1 96 96 ARG CA C 96 56.234 56.234 57.785 -1.551 25439 20044 1 27 . 1 1 96 96 ARG CB C 96 30.245 30.245 30.735 -0.490 25439 20045 1 27 . 1 1 96 96 ARG H H 96 7.066 7.066 7.491 -0.425 25439 20046 1 27 . 1 1 97 97 LYS N N 97 123.252 123.252 119.272 3.980 25439 20047 1 27 . 1 1 97 97 LYS HA H 97 4.634 4.634 4.284 0.350 25439 20048 1 27 . 1 1 97 97 LYS CA C 97 54.937 54.937 57.094 -2.157 25439 20049 1 27 . 1 1 97 97 LYS CB C 97 34.166 34.166 32.754 1.412 25439 20050 1 27 . 1 1 97 97 LYS H H 97 8.467 8.467 8.154 0.313 25439 20051 1 27 . 1 1 98 98 THR N N 98 119.993 119.993 114.576 5.417 25439 20052 1 27 . 1 1 98 98 THR HA H 98 4.224 4.224 4.369 -0.145 25439 20053 1 27 . 1 1 98 98 THR CA C 98 64.670 64.670 62.985 1.685 25439 20054 1 27 . 1 1 98 98 THR CB C 98 69.200 69.200 69.117 0.083 25439 20055 1 27 . 1 1 98 98 THR H H 98 8.329 8.329 8.213 0.116 25439 20056 1 27 . 1 1 99 99 GLY N N 99 116.645 116.645 115.107 1.538 25439 20057 1 27 . 1 1 99 99 GLY CA C 99 45.047 45.047 45.004 0.043 25439 20058 1 27 . 1 1 99 99 GLY H H 99 9.273 9.273 8.656 0.617 25439 20059 1 27 . 1 1 100 100 TYR N N 100 120.784 120.784 119.422 1.362 25439 20060 1 27 . 1 1 100 100 TYR HA H 100 4.704 4.704 4.751 -0.047 25439 20061 1 27 . 1 1 100 100 TYR CA C 100 57.697 57.697 56.258 1.439 25439 20062 1 27 . 1 1 100 100 TYR CB C 100 39.413 39.413 37.197 2.216 25439 20063 1 27 . 1 1 100 100 TYR H H 100 8.457 8.457 8.082 0.375 25439 20064 1 27 . 1 1 101 101 GLU N N 101 119.482 119.482 121.651 -2.169 25439 20065 1 27 . 1 1 101 101 GLU HA H 101 4.601 4.601 4.537 0.064 25439 20066 1 27 . 1 1 101 101 GLU CA C 101 61.207 61.207 57.339 3.868 25439 20067 1 27 . 1 1 101 101 GLU CB C 101 29.648 29.648 30.574 -0.926 25439 20068 1 27 . 1 1 101 101 GLU H H 101 9.836 9.836 8.567 1.269 25439 20069 1 27 . 1 1 102 102 LYS N N 102 115.179 115.179 120.898 -5.719 25439 20070 1 27 . 1 1 102 102 LYS HA H 102 4.295 4.295 4.695 -0.400 25439 20071 1 27 . 1 1 102 102 LYS CA C 102 54.207 54.207 55.820 -1.613 25439 20072 1 27 . 1 1 102 102 LYS CB C 102 32.489 32.489 32.809 -0.320 25439 20073 1 27 . 1 1 102 102 LYS H H 102 8.291 8.291 7.964 0.327 25439 20074 1 27 . 1 1 103 103 LEU N N 103 119.637 119.637 117.524 2.113 25439 20075 1 27 . 1 1 103 103 LEU HA H 103 4.385 4.385 5.031 -0.646 25439 20076 1 27 . 1 1 103 103 LEU CA C 103 56.549 56.549 53.766 2.783 25439 20077 1 27 . 1 1 103 103 LEU CB C 103 43.864 43.864 44.710 -0.846 25439 20078 1 27 . 1 1 103 103 LEU H H 103 7.642 7.642 7.746 -0.104 25439 20079 1 27 . 1 1 104 104 CYS N N 104 129.651 129.651 116.510 13.141 25439 20080 1 27 . 1 1 104 104 CYS HA H 104 4.498 4.498 4.998 -0.500 25439 20081 1 27 . 1 1 104 104 CYS CA C 104 58.076 58.076 58.492 -0.416 25439 20082 1 27 . 1 1 104 104 CYS CB C 104 32.301 32.301 28.332 3.969 25439 20083 1 27 . 1 1 104 104 CYS H H 104 8.638 8.638 8.795 -0.157 25439 20084 1 27 . 1 1 105 105 CYS N N 105 120.206 120.206 118.459 1.747 25439 20085 1 27 . 1 1 105 105 CYS HA H 105 4.806 4.806 4.879 -0.073 25439 20086 1 27 . 1 1 105 105 CYS CA C 105 58.271 58.271 56.964 1.307 25439 20087 1 27 . 1 1 105 105 CYS CB C 105 32.062 32.062 30.213 1.849 25439 20088 1 27 . 1 1 105 105 CYS H H 105 8.158 8.158 7.991 0.167 25439 20089 1 27 . 1 1 106 106 LEU N N 106 115.513 115.513 122.121 -6.608 25439 20090 1 27 . 1 1 106 106 LEU HA H 106 4.054 4.054 4.276 -0.222 25439 20091 1 27 . 1 1 106 106 LEU CA C 106 56.110 56.110 56.310 -0.200 25439 20092 1 27 . 1 1 106 106 LEU CB C 106 41.227 41.227 42.548 -1.321 25439 20093 1 27 . 1 1 106 106 LEU H H 106 8.466 8.466 8.457 0.009 25439 20094 1 27 . 1 1 107 107 ARG N N 107 122.711 122.711 116.918 5.793 25439 20095 1 27 . 1 1 107 107 ARG HA H 107 3.993 3.993 4.284 -0.291 25439 20096 1 27 . 1 1 107 107 ARG CA C 107 58.311 58.311 57.145 1.166 25439 20097 1 27 . 1 1 107 107 ARG CB C 107 28.965 28.965 29.175 -0.210 25439 20098 1 27 . 1 1 107 107 ARG H H 107 8.131 8.131 8.011 0.120 25439 20099 1 27 . 1 1 108 108 CYS N N 108 119.055 119.055 118.214 0.841 25439 20100 1 27 . 1 1 108 108 CYS HA H 108 4.101 4.101 4.798 -0.697 25439 20101 1 27 . 1 1 108 108 CYS CA C 108 63.936 63.936 57.920 6.016 25439 20102 1 27 . 1 1 108 108 CYS CB C 108 30.934 30.934 27.914 3.020 25439 20103 1 27 . 1 1 108 108 CYS H H 108 8.010 8.010 8.030 -0.020 25439 20104 1 27 . 1 1 109 109 ILE N N 109 107.315 107.315 113.493 -6.178 25439 20105 1 27 . 1 1 109 109 ILE HA H 109 4.684 4.684 4.482 0.202 25439 20106 1 27 . 1 1 109 109 ILE CA C 109 60.483 60.483 60.979 -0.496 25439 20107 1 27 . 1 1 109 109 ILE CB C 109 38.320 38.320 38.781 -0.461 25439 20108 1 27 . 1 1 109 109 ILE H H 109 7.105 7.105 7.448 -0.343 25439 20109 1 27 . 1 1 110 110 GLN N N 110 122.468 122.468 120.306 2.162 25439 20110 1 27 . 1 1 110 110 GLN HA H 110 4.268 4.268 4.674 -0.406 25439 20111 1 27 . 1 1 110 110 GLN CA C 110 55.981 55.981 54.310 1.671 25439 20112 1 27 . 1 1 110 110 GLN CB C 110 29.656 29.656 32.558 -2.902 25439 20113 1 27 . 1 1 110 110 GLN H H 110 7.156 7.156 7.981 -0.825 25439 20114 1 27 . 1 1 111 111 LYS N N 111 124.650 124.650 120.415 4.235 25439 20115 1 27 . 1 1 111 111 LYS HA H 111 4.246 4.246 4.868 -0.622 25439 20116 1 27 . 1 1 111 111 LYS CA C 111 56.546 56.546 54.818 1.728 25439 20117 1 27 . 1 1 111 111 LYS CB C 111 32.846 32.846 35.020 -2.174 25439 20118 1 27 . 1 1 111 111 LYS H H 111 8.522 8.522 8.351 0.171 25439 20119 1 27 . 1 1 112 112 ASN N N 112 120.972 120.972 119.915 1.057 25439 20120 1 27 . 1 1 112 112 ASN HA H 112 4.778 4.778 4.890 -0.112 25439 20121 1 27 . 1 1 112 112 ASN CA C 112 52.902 52.902 52.321 0.581 25439 20122 1 27 . 1 1 112 112 ASN CB C 112 39.328 39.328 40.867 -1.539 25439 20123 1 27 . 1 1 112 112 ASN H H 112 8.360 8.360 8.585 -0.225 25439 20124 1 27 . 1 1 113 113 GLU N N 113 121.710 121.710 120.865 0.845 25439 20125 1 27 . 1 1 113 113 GLU HA H 113 4.248 4.248 4.599 -0.351 25439 20126 1 27 . 1 1 113 113 GLU CA C 113 58.611 58.611 56.467 2.144 25439 20127 1 27 . 1 1 113 113 GLU CB C 113 29.590 29.590 29.883 -0.293 25439 20128 1 27 . 1 1 113 113 GLU H H 113 9.023 9.023 8.781 0.242 25439 20129 1 27 . 1 1 114 114 THR N N 114 112.186 112.186 112.247 -0.061 25439 20130 1 27 . 1 1 114 114 THR HA H 114 4.321 4.321 4.491 -0.170 25439 20131 1 27 . 1 1 114 114 THR CA C 114 63.161 63.161 62.090 1.071 25439 20132 1 27 . 1 1 114 114 THR CB C 114 69.481 69.481 68.798 0.683 25439 20133 1 27 . 1 1 114 114 THR H H 114 8.112 8.112 7.894 0.218 25439 20134 1 27 . 1 1 115 115 ASN N N 115 119.112 119.112 119.938 -0.826 25439 20135 1 27 . 1 1 115 115 ASN HA H 115 4.829 4.829 4.346 0.483 25439 20136 1 27 . 1 1 115 115 ASN CA C 115 53.110 53.110 54.270 -1.160 25439 20137 1 27 . 1 1 115 115 ASN CB C 115 38.659 38.659 38.380 0.279 25439 20138 1 27 . 1 1 115 115 ASN H H 115 8.047 8.047 8.211 -0.164 25439 20139 1 27 . 1 1 116 116 ASN N N 116 117.175 117.175 117.628 -0.453 25439 20140 1 27 . 1 1 116 116 ASN HA H 116 4.615 4.615 4.501 0.114 25439 20141 1 27 . 1 1 116 116 ASN CA C 116 53.965 53.965 53.669 0.296 25439 20142 1 27 . 1 1 116 116 ASN CB C 116 38.173 38.173 38.099 0.074 25439 20143 1 27 . 1 1 116 116 ASN H H 116 8.364 8.364 8.449 -0.085 25439 20144 1 27 . 1 1 117 117 GLY N N 117 107.294 107.294 108.780 -1.486 25439 20145 1 27 . 1 1 117 117 GLY CA C 117 45.882 45.882 44.496 1.385 25439 20146 1 27 . 1 1 117 117 GLY H H 117 8.264 8.264 7.955 0.309 25439 20147 1 27 . 1 1 118 118 SER N N 118 115.475 115.475 117.051 -1.576 25439 20148 1 27 . 1 1 118 118 SER HA H 118 4.586 4.586 4.727 -0.141 25439 20149 1 27 . 1 1 118 118 SER CA C 118 57.974 57.974 57.357 0.617 25439 20150 1 27 . 1 1 118 118 SER CB C 118 64.479 64.479 65.601 -1.122 25439 20151 1 27 . 1 1 118 118 SER H H 118 7.905 7.905 8.311 -0.406 25439 20152 1 27 . 1 1 119 119 THR N N 119 111.360 111.360 114.825 -3.465 25439 20153 1 27 . 1 1 119 119 THR HA H 119 4.450 4.450 4.736 -0.286 25439 20154 1 27 . 1 1 119 119 THR CA C 119 61.215 61.215 61.061 0.154 25439 20155 1 27 . 1 1 119 119 THR CB C 119 70.569 70.569 70.793 -0.224 25439 20156 1 27 . 1 1 119 119 THR H H 119 8.044 8.044 8.064 -0.020 25439 20157 1 27 . 1 1 120 120 CYS N N 120 122.708 122.708 121.702 1.006 25439 20158 1 27 . 1 1 120 120 CYS HA H 120 4.255 4.255 4.668 -0.413 25439 20159 1 27 . 1 1 120 120 CYS CA C 120 61.469 61.469 58.298 3.171 25439 20160 1 27 . 1 1 120 120 CYS CB C 120 30.892 30.892 28.653 2.239 25439 20161 1 27 . 1 1 120 120 CYS H H 120 8.045 8.045 8.559 -0.514 25439 20162 1 27 . 1 1 121 121 ILE N N 121 132.463 132.463 124.000 8.463 25439 20163 1 27 . 1 1 121 121 ILE HA H 121 4.025 4.025 3.927 0.098 25439 20164 1 27 . 1 1 121 121 ILE CA C 121 63.353 63.353 63.036 0.317 25439 20165 1 27 . 1 1 121 121 ILE CB C 121 38.222 38.222 37.878 0.344 25439 20166 1 27 . 1 1 121 121 ILE H H 121 8.237 8.237 8.409 -0.172 25439 20167 1 27 . 1 1 122 122 CYS N N 122 123.931 123.931 117.854 6.077 25439 20168 1 27 . 1 1 122 122 CYS HA H 122 4.233 4.233 3.522 0.711 25439 20169 1 27 . 1 1 122 122 CYS CA C 122 60.230 60.230 60.385 -0.155 25439 20170 1 27 . 1 1 122 122 CYS CB C 122 30.602 30.602 25.832 4.770 25439 20171 1 27 . 1 1 122 122 CYS H H 122 9.355 9.355 7.544 1.811 25439 20172 1 27 . 1 1 123 123 ARG N N 123 119.561 119.561 120.653 -1.092 25439 20173 1 27 . 1 1 123 123 ARG HA H 123 4.150 4.150 4.291 -0.141 25439 20174 1 27 . 1 1 123 123 ARG CA C 123 53.177 53.177 58.332 -5.155 25439 20175 1 27 . 1 1 123 123 ARG CB C 123 27.961 27.961 30.521 -2.560 25439 20176 1 27 . 1 1 123 123 ARG H H 123 7.677 7.677 7.805 -0.128 25439 20177 1 27 . 1 1 124 124 VAL N N 124 122.794 122.794 120.714 2.080 25439 20178 1 27 . 1 1 124 124 VAL HA H 124 4.081 4.081 4.056 0.025 25439 20179 1 27 . 1 1 124 124 VAL CA C 124 60.647 60.647 60.943 -0.296 25439 20180 1 27 . 1 1 124 124 VAL CB C 124 32.857 32.857 31.133 1.724 25439 20181 1 27 . 1 1 124 124 VAL H H 124 7.578 7.578 7.229 0.349 25439 20182 1 27 . 1 1 125 125 PRO HA H 125 4.263 4.263 4.526 -0.263 25439 20183 1 27 . 1 1 125 125 PRO CA C 125 63.268 63.268 62.392 0.876 25439 20184 1 27 . 1 1 125 125 PRO CB C 125 32.379 32.379 32.806 -0.427 25439 20185 1 27 . 1 1 126 126 ARG N N 126 128.350 128.350 119.929 8.421 25439 20186 1 27 . 1 1 126 126 ARG HA H 126 3.912 3.912 4.044 -0.132 25439 20187 1 27 . 1 1 126 126 ARG CA C 126 59.653 59.653 59.005 0.647 25439 20188 1 27 . 1 1 126 126 ARG CB C 126 29.339 29.339 29.344 -0.005 25439 20189 1 27 . 1 1 126 126 ARG H H 126 9.534 9.534 8.728 0.806 25439 20190 1 27 . 1 1 127 127 ALA N N 127 119.169 119.169 121.917 -2.748 25439 20191 1 27 . 1 1 127 127 ALA HA H 127 4.192 4.192 4.114 0.078 25439 20192 1 27 . 1 1 127 127 ALA CA C 127 55.227 55.227 54.787 0.440 25439 20193 1 27 . 1 1 127 127 ALA CB C 127 18.363 18.363 18.016 0.347 25439 20194 1 27 . 1 1 127 127 ALA H H 127 9.263 9.263 8.501 0.762 25439 20195 1 27 . 1 1 128 128 GLN N N 128 117.345 117.345 118.297 -0.952 25439 20196 1 27 . 1 1 128 128 GLN HA H 128 4.209 4.209 4.077 0.132 25439 20197 1 27 . 1 1 128 128 GLN CA C 128 58.506 58.506 58.837 -0.331 25439 20198 1 27 . 1 1 128 128 GLN CB C 128 28.220 28.220 28.419 -0.199 25439 20199 1 27 . 1 1 128 128 GLN H H 128 7.448 7.448 8.375 -0.927 25439 20200 1 27 . 1 1 129 129 LEU N N 129 120.561 120.561 120.579 -0.018 25439 20201 1 27 . 1 1 129 129 LEU HA H 129 4.088 4.088 3.902 0.186 25439 20202 1 27 . 1 1 129 129 LEU CA C 129 57.952 57.952 57.878 0.074 25439 20203 1 27 . 1 1 129 129 LEU CB C 129 41.817 41.817 41.912 -0.095 25439 20204 1 27 . 1 1 129 129 LEU H H 129 7.622 7.622 7.473 0.149 25439 20205 1 27 . 1 1 130 130 GLU N N 130 119.122 119.122 118.798 0.324 25439 20206 1 27 . 1 1 130 130 GLU HA H 130 3.956 3.956 3.873 0.083 25439 20207 1 27 . 1 1 130 130 GLU CA C 130 59.353 59.353 59.901 -0.548 25439 20208 1 27 . 1 1 130 130 GLU CB C 130 29.337 29.337 29.349 -0.012 25439 20209 1 27 . 1 1 130 130 GLU H H 130 8.656 8.656 8.599 0.057 25439 20210 1 27 . 1 1 131 131 GLU N N 131 121.469 121.469 119.139 2.330 25439 20211 1 27 . 1 1 131 131 GLU HA H 131 4.163 4.163 3.980 0.183 25439 20212 1 27 . 1 1 131 131 GLU CA C 131 59.288 59.288 59.819 -0.531 25439 20213 1 27 . 1 1 131 131 GLU CB C 131 29.422 29.422 29.497 -0.074 25439 20214 1 27 . 1 1 131 131 GLU H H 131 7.922 7.922 7.810 0.112 25439 20215 1 27 . 1 1 132 132 GLU N N 132 119.241 119.241 119.220 0.021 25439 20216 1 27 . 1 1 132 132 GLU HA H 132 3.998 3.998 4.042 -0.044 25439 20217 1 27 . 1 1 132 132 GLU CA C 132 59.327 59.327 59.105 0.222 25439 20218 1 27 . 1 1 132 132 GLU CB C 132 29.421 29.421 29.423 -0.002 25439 20219 1 27 . 1 1 132 132 GLU H H 132 8.099 8.099 7.570 0.529 25439 20220 1 27 . 1 1 133 133 ALA N N 133 121.302 121.302 121.653 -0.351 25439 20221 1 27 . 1 1 133 133 ALA HA H 133 4.053 4.053 4.079 -0.026 25439 20222 1 27 . 1 1 133 133 ALA CA C 133 54.973 54.973 55.073 -0.100 25439 20223 1 27 . 1 1 133 133 ALA CB C 133 18.154 18.154 18.207 -0.053 25439 20224 1 27 . 1 1 133 133 ALA H H 133 7.795 7.795 7.444 0.351 25439 20225 1 27 . 1 1 134 134 ARG N N 134 118.757 118.757 117.893 0.864 25439 20226 1 27 . 1 1 134 134 ARG HA H 134 4.143 4.143 4.051 0.092 25439 20227 1 27 . 1 1 134 134 ARG CA C 134 59.438 59.438 58.891 0.547 25439 20228 1 27 . 1 1 134 134 ARG CB C 134 30.148 30.148 29.754 0.394 25439 20229 1 27 . 1 1 134 134 ARG H H 134 8.145 8.145 7.888 0.257 25439 20230 1 27 . 1 1 135 135 LYS N N 135 119.496 119.496 119.411 0.085 25439 20231 1 27 . 1 1 135 135 LYS HA H 135 4.073 4.073 4.145 -0.072 25439 20232 1 27 . 1 1 135 135 LYS CA C 135 59.327 59.327 58.544 0.783 25439 20233 1 27 . 1 1 135 135 LYS CB C 135 32.539 32.539 32.133 0.406 25439 20234 1 27 . 1 1 135 135 LYS H H 135 8.036 8.036 7.615 0.421 25439 20235 1 27 . 1 1 136 136 LYS N N 136 116.645 116.645 117.473 -0.828 25439 20236 1 27 . 1 1 136 136 LYS HA H 136 4.362 4.362 4.422 -0.060 25439 20237 1 27 . 1 1 136 136 LYS CA C 136 56.575 56.575 55.509 1.066 25439 20238 1 27 . 1 1 136 136 LYS CB C 136 33.629 33.629 32.671 0.958 25439 20239 1 27 . 1 1 136 136 LYS H H 136 7.682 7.682 7.452 0.230 25439 20240 1 27 . 1 1 137 137 GLY N N 137 109.349 109.349 109.755 -0.406 25439 20241 1 27 . 1 1 137 137 GLY CA C 137 46.358 46.358 46.084 0.274 25439 20242 1 27 . 1 1 137 137 GLY H H 137 8.064 8.064 7.744 0.320 25439 20243 1 27 . 1 1 138 138 THR N N 138 112.870 112.870 113.142 -0.272 25439 20244 1 27 . 1 1 138 138 THR HA H 138 4.735 4.735 4.586 0.149 25439 20245 1 27 . 1 1 138 138 THR CA C 138 59.308 59.308 60.639 -1.331 25439 20246 1 27 . 1 1 138 138 THR CB C 138 70.755 70.755 70.406 0.349 25439 20247 1 27 . 1 1 138 138 THR H H 138 8.111 8.111 8.220 -0.109 25439 20248 1 27 . 1 1 139 139 GLN N N 139 118.177 118.177 119.595 -1.418 25439 20249 1 27 . 1 1 139 139 GLN HA H 139 4.609 4.609 4.636 -0.027 25439 20250 1 27 . 1 1 139 139 GLN CA C 139 54.435 54.435 54.698 -0.263 25439 20251 1 27 . 1 1 139 139 GLN CB C 139 30.777 30.777 31.147 -0.370 25439 20252 1 27 . 1 1 139 139 GLN H H 139 8.227 8.227 8.409 -0.182 25439 20253 1 27 . 1 1 140 140 VAL N N 140 123.601 123.601 120.714 2.887 25439 20254 1 27 . 1 1 140 140 VAL HA H 140 3.790 3.790 4.499 -0.709 25439 20255 1 27 . 1 1 140 140 VAL CA C 140 63.934 63.934 60.946 2.988 25439 20256 1 27 . 1 1 140 140 VAL CB C 140 32.154 32.154 33.935 -1.781 25439 20257 1 27 . 1 1 140 140 VAL H H 140 8.839 8.839 8.218 0.621 25439 20258 1 27 . 1 1 141 141 SER HA H 141 4.524 4.524 4.634 -0.110 25439 20259 1 27 . 1 1 141 141 SER CA C 141 57.841 57.841 58.462 -0.622 25439 20260 1 27 . 1 1 141 141 SER CB C 141 64.174 64.174 63.935 0.239 25439 20261 1 27 . 1 1 142 142 PHE N N 142 123.726 123.726 128.058 -4.332 25439 20262 1 27 . 1 1 142 142 PHE HA H 142 4.458 4.458 4.808 -0.350 25439 20263 1 27 . 1 1 142 142 PHE CA C 142 58.673 58.673 57.498 1.175 25439 20264 1 27 . 1 1 142 142 PHE CB C 142 40.055 40.055 40.979 -0.924 25439 20265 1 27 . 1 1 142 142 PHE H H 142 7.534 7.534 8.374 -0.840 25439 20266 1 27 . 1 1 143 143 HIS N N 143 126.548 126.548 122.311 4.237 25439 20267 1 27 . 1 1 143 143 HIS HA H 143 4.336 4.336 4.542 -0.206 25439 20268 1 27 . 1 1 143 143 HIS CA C 143 56.837 56.837 56.688 0.149 25439 20269 1 27 . 1 1 143 143 HIS CB C 143 31.949 31.949 32.655 -0.706 25439 20270 1 27 . 1 1 143 143 HIS H H 143 8.308 8.308 8.038 0.270 25439 20271 1 27 . 1 1 144 144 GLN N N 144 115.094 115.094 113.852 1.242 25439 20272 1 27 . 1 1 144 144 GLN HA H 144 4.433 4.433 4.588 -0.155 25439 20273 1 27 . 1 1 144 144 GLN CA C 144 54.210 54.210 53.565 0.645 25439 20274 1 27 . 1 1 144 144 GLN CB C 144 32.925 32.925 32.009 0.916 25439 20275 1 27 . 1 1 144 144 GLN H H 144 7.203 7.203 6.982 0.221 25439 20276 1 27 . 1 1 145 145 CYS N N 145 123.088 123.088 117.791 5.297 25439 20277 1 27 . 1 1 145 145 CYS HA H 145 4.961 4.961 4.945 0.016 25439 20278 1 27 . 1 1 145 145 CYS CA C 145 57.978 57.978 56.838 1.140 25439 20279 1 27 . 1 1 145 145 CYS CB C 145 33.555 33.555 30.110 3.445 25439 20280 1 27 . 1 1 145 145 CYS H H 145 8.668 8.668 8.523 0.145 25439 20281 1 27 . 1 1 146 146 VAL N N 146 113.265 113.265 121.133 -7.868 25439 20282 1 27 . 1 1 146 146 VAL HA H 146 4.238 4.238 4.106 0.132 25439 20283 1 27 . 1 1 146 146 VAL CA C 146 64.001 64.001 64.963 -0.962 25439 20284 1 27 . 1 1 146 146 VAL CB C 146 32.157 32.157 32.259 -0.102 25439 20285 1 27 . 1 1 146 146 VAL H H 146 8.198 8.198 8.433 -0.235 25439 20286 1 27 . 1 1 147 147 HIS N N 147 120.556 120.556 117.772 2.784 25439 20287 1 27 . 1 1 147 147 HIS HA H 147 4.604 4.604 4.347 0.257 25439 20288 1 27 . 1 1 147 147 HIS CA C 147 58.708 58.708 58.273 0.435 25439 20289 1 27 . 1 1 147 147 HIS CB C 147 32.204 32.204 29.400 2.804 25439 20290 1 27 . 1 1 147 147 HIS H H 147 7.151 7.151 8.339 -1.188 25439 20291 1 27 . 1 1 148 148 CYS N N 148 112.110 112.110 113.518 -1.408 25439 20292 1 27 . 1 1 148 148 CYS HA H 148 4.889 4.889 4.536 0.353 25439 20293 1 27 . 1 1 148 148 CYS CA C 148 57.952 57.952 55.739 2.213 25439 20294 1 27 . 1 1 148 148 CYS CB C 148 32.956 32.956 29.999 2.957 25439 20295 1 27 . 1 1 148 148 CYS H H 148 7.413 7.413 7.214 0.199 25439 20296 1 27 . 1 1 149 149 GLY N N 149 112.797 112.797 108.401 4.396 25439 20297 1 27 . 1 1 149 149 GLY CA C 149 45.327 45.327 44.566 0.761 25439 20298 1 27 . 1 1 149 149 GLY H H 149 6.949 6.949 8.372 -1.423 25439 20299 1 27 . 1 1 150 150 CYS N N 150 127.277 127.277 120.362 6.915 25439 20300 1 27 . 1 1 150 150 CYS HA H 150 3.932 3.932 4.551 -0.619 25439 20301 1 27 . 1 1 150 150 CYS CA C 150 61.362 61.362 57.357 4.005 25439 20302 1 27 . 1 1 150 150 CYS CB C 150 30.632 30.632 29.682 0.950 25439 20303 1 27 . 1 1 150 150 CYS H H 150 8.240 8.240 7.160 1.080 25439 20304 1 27 . 1 1 151 151 ARG N N 151 125.476 125.476 127.979 -2.503 25439 20305 1 27 . 1 1 151 151 ARG HA H 151 4.775 4.775 4.465 0.310 25439 20306 1 27 . 1 1 151 151 ARG CA C 151 56.164 56.164 55.277 0.887 25439 20307 1 27 . 1 1 151 151 ARG CB C 151 30.354 30.354 29.362 0.992 25439 20308 1 27 . 1 1 151 151 ARG H H 151 8.492 8.492 8.626 -0.134 25439 20309 1 27 . 1 1 152 152 GLY N N 152 117.275 117.275 108.328 8.947 25439 20310 1 27 . 1 1 152 152 GLY CA C 152 45.523 45.523 45.437 0.086 25439 20311 1 27 . 1 1 152 152 GLY H H 152 9.812 9.812 7.742 2.070 25439 20312 1 27 . 1 1 153 153 CYS N N 153 126.187 126.187 118.691 7.496 25439 20313 1 27 . 1 1 153 153 CYS HA H 153 4.842 4.842 4.817 0.025 25439 20314 1 27 . 1 1 153 153 CYS CA C 153 57.130 57.130 55.791 1.339 25439 20315 1 27 . 1 1 153 153 CYS CB C 153 31.368 31.368 28.040 3.328 25439 20316 1 27 . 1 1 153 153 CYS H H 153 8.930 8.930 8.176 0.754 25439 20317 1 27 . 1 1 154 154 ALA N N 154 125.869 125.869 126.439 -0.570 25439 20318 1 27 . 1 1 154 154 ALA HA H 154 4.159 4.159 4.894 -0.735 25439 20319 1 27 . 1 1 154 154 ALA CA C 154 53.187 53.187 51.703 1.484 25439 20320 1 27 . 1 1 154 154 ALA CB C 154 18.937 18.937 21.218 -2.281 25439 20321 1 27 . 1 1 154 154 ALA H H 154 8.616 8.616 8.333 0.283 25439 20322 1 27 . 1 1 155 155 SER N N 155 116.724 116.724 116.835 -0.111 25439 20323 1 27 . 1 1 155 155 SER HA H 155 4.283 4.283 4.503 -0.220 25439 20324 1 27 . 1 1 155 155 SER CA C 155 60.136 60.136 59.725 0.411 25439 20325 1 27 . 1 1 155 155 SER CB C 155 63.575 63.575 63.995 -0.420 25439 20326 1 27 . 1 1 155 155 SER H H 155 9.358 9.358 8.926 0.432 25439 20327 1 27 . 1 1 156 156 THR N N 156 111.893 111.893 114.637 -2.744 25439 20328 1 27 . 1 1 156 156 THR HA H 156 4.358 4.358 4.539 -0.181 25439 20329 1 27 . 1 1 156 156 THR CA C 156 61.264 61.264 63.026 -1.762 25439 20330 1 27 . 1 1 156 156 THR CB C 156 69.999 69.999 68.870 1.129 25439 20331 1 27 . 1 1 156 156 THR H H 156 7.638 7.638 7.763 -0.125 25439 20332 1 28 . 1 1 0 0 GLY CA C 0 43.750 43.750 45.371 -1.621 25439 20333 1 28 . 1 1 1 1 SER N N 1 117.201 117.201 115.617 1.584 25439 20334 1 28 . 1 1 1 1 SER HA H 1 4.809 4.809 4.558 0.251 25439 20335 1 28 . 1 1 1 1 SER CA C 1 56.525 56.525 56.159 0.366 25439 20336 1 28 . 1 1 1 1 SER CB C 1 63.385 63.385 64.043 -0.658 25439 20337 1 28 . 1 1 1 1 SER H H 1 8.381 8.381 8.103 0.278 25439 20338 1 28 . 1 1 2 2 PRO HA H 2 4.468 4.468 4.493 -0.025 25439 20339 1 28 . 1 1 2 2 PRO CA C 2 63.292 63.292 63.217 0.075 25439 20340 1 28 . 1 1 2 2 PRO CB C 2 32.174 32.174 32.413 -0.239 25439 20341 1 28 . 1 1 3 3 ARG N N 3 121.649 121.649 120.877 0.772 25439 20342 1 28 . 1 1 3 3 ARG HA H 3 4.324 4.324 4.527 -0.203 25439 20343 1 28 . 1 1 3 3 ARG CA C 3 56.226 56.226 55.978 0.248 25439 20344 1 28 . 1 1 3 3 ARG CB C 3 30.732 30.732 30.105 0.627 25439 20345 1 28 . 1 1 3 3 ARG H H 3 8.428 8.428 8.202 0.226 25439 20346 1 28 . 1 1 4 4 ILE N N 4 122.500 122.500 120.076 2.424 25439 20347 1 28 . 1 1 4 4 ILE HA H 4 4.181 4.181 4.238 -0.057 25439 20348 1 28 . 1 1 4 4 ILE CA C 4 60.943 60.943 61.613 -0.670 25439 20349 1 28 . 1 1 4 4 ILE CB C 4 38.751 38.751 38.662 0.089 25439 20350 1 28 . 1 1 4 4 ILE H H 4 8.165 8.165 7.975 0.190 25439 20351 1 28 . 1 1 5 5 LYS N N 5 126.237 126.237 121.355 4.882 25439 20352 1 28 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.629 -0.227 25439 20353 1 28 . 1 1 5 5 LYS CA C 5 56.422 56.422 55.667 0.755 25439 20354 1 28 . 1 1 5 5 LYS CB C 5 33.130 33.130 33.676 -0.546 25439 20355 1 28 . 1 1 5 5 LYS H H 5 8.500 8.500 7.926 0.574 25439 20356 1 28 . 1 1 6 6 THR N N 6 116.495 116.495 116.180 0.315 25439 20357 1 28 . 1 1 6 6 THR HA H 6 4.323 4.323 4.521 -0.198 25439 20358 1 28 . 1 1 6 6 THR CA C 6 61.918 61.918 62.277 -0.359 25439 20359 1 28 . 1 1 6 6 THR CB C 6 69.963 69.963 69.009 0.954 25439 20360 1 28 . 1 1 6 6 THR H H 6 8.194 8.194 8.305 -0.111 25439 20361 1 28 . 1 1 7 7 ARG N N 7 124.128 124.128 122.919 1.209 25439 20362 1 28 . 1 1 7 7 ARG HA H 7 4.396 4.396 4.613 -0.217 25439 20363 1 28 . 1 1 7 7 ARG CA C 7 56.128 56.128 55.974 0.154 25439 20364 1 28 . 1 1 7 7 ARG CB C 7 30.953 30.953 31.707 -0.754 25439 20365 1 28 . 1 1 7 7 ARG H H 7 8.458 8.458 8.236 0.222 25439 20366 1 28 . 1 1 8 8 ARG N N 8 123.384 123.384 122.566 0.818 25439 20367 1 28 . 1 1 8 8 ARG HA H 8 4.424 4.424 4.865 -0.441 25439 20368 1 28 . 1 1 8 8 ARG CA C 8 56.011 56.011 55.605 0.406 25439 20369 1 28 . 1 1 8 8 ARG CB C 8 31.058 31.058 32.150 -1.092 25439 20370 1 28 . 1 1 8 8 ARG H H 8 8.526 8.526 8.717 -0.191 25439 20371 1 28 . 1 1 9 9 SER N N 9 118.446 118.446 115.168 3.278 25439 20372 1 28 . 1 1 9 9 SER HA H 9 4.473 4.473 4.651 -0.178 25439 20373 1 28 . 1 1 9 9 SER CA C 9 58.568 58.568 57.989 0.579 25439 20374 1 28 . 1 1 9 9 SER CB C 9 63.986 63.986 65.037 -1.051 25439 20375 1 28 . 1 1 9 9 SER H H 9 8.450 8.450 8.168 0.282 25439 20376 1 28 . 1 1 10 10 LYS N N 10 124.117 124.117 121.970 2.147 25439 20377 1 28 . 1 1 10 10 LYS HA H 10 4.673 4.673 4.265 0.408 25439 20378 1 28 . 1 1 10 10 LYS CA C 10 54.412 54.412 56.247 -1.835 25439 20379 1 28 . 1 1 10 10 LYS CB C 10 32.693 32.693 31.479 1.214 25439 20380 1 28 . 1 1 10 10 LYS H H 10 8.426 8.426 8.507 -0.081 25439 20381 1 28 . 1 1 11 11 PRO HA H 11 4.360 4.360 4.460 -0.100 25439 20382 1 28 . 1 1 11 11 PRO CA C 11 62.861 62.861 62.502 0.359 25439 20383 1 28 . 1 1 11 11 PRO CB C 11 32.106 32.106 32.452 -0.346 25439 20384 1 28 . 1 1 12 12 ALA N N 12 124.420 124.420 122.659 1.761 25439 20385 1 28 . 1 1 12 12 ALA HA H 12 2.889 2.889 2.876 0.013 25439 20386 1 28 . 1 1 12 12 ALA CA C 12 49.735 49.735 49.839 -0.104 25439 20387 1 28 . 1 1 12 12 ALA CB C 12 18.066 18.066 16.751 1.315 25439 20388 1 28 . 1 1 12 12 ALA H H 12 7.890 7.890 7.799 0.091 25439 20389 1 28 . 1 1 13 13 PRO HA H 13 4.207 4.207 4.407 -0.200 25439 20390 1 28 . 1 1 13 13 PRO CA C 13 62.111 62.111 61.969 0.142 25439 20391 1 28 . 1 1 13 13 PRO CB C 13 32.582 32.582 32.430 0.152 25439 20392 1 28 . 1 1 14 14 ASP N N 14 119.535 119.535 119.685 -0.150 25439 20393 1 28 . 1 1 14 14 ASP HA H 14 4.379 4.379 4.259 0.120 25439 20394 1 28 . 1 1 14 14 ASP CA C 14 56.427 56.427 57.041 -0.614 25439 20395 1 28 . 1 1 14 14 ASP CB C 14 41.177 41.177 39.950 1.227 25439 20396 1 28 . 1 1 14 14 ASP H H 14 8.206 8.206 8.579 -0.373 25439 20397 1 28 . 1 1 15 15 GLY N N 15 113.273 113.273 107.728 5.545 25439 20398 1 28 . 1 1 15 15 GLY CA C 15 45.146 45.146 46.545 -1.399 25439 20399 1 28 . 1 1 15 15 GLY H H 15 8.723 8.723 8.413 0.310 25439 20400 1 28 . 1 1 16 16 PHE N N 16 123.113 123.113 122.776 0.337 25439 20401 1 28 . 1 1 16 16 PHE HA H 16 4.125 4.125 4.239 -0.114 25439 20402 1 28 . 1 1 16 16 PHE CA C 16 60.715 60.715 59.493 1.222 25439 20403 1 28 . 1 1 16 16 PHE CB C 16 39.639 39.639 39.115 0.524 25439 20404 1 28 . 1 1 16 16 PHE H H 16 8.127 8.127 8.310 -0.183 25439 20405 1 28 . 1 1 17 17 GLU N N 17 115.695 115.695 119.560 -3.865 25439 20406 1 28 . 1 1 17 17 GLU HA H 17 3.768 3.768 3.868 -0.100 25439 20407 1 28 . 1 1 17 17 GLU CA C 17 59.234 59.234 59.346 -0.112 25439 20408 1 28 . 1 1 17 17 GLU CB C 17 28.495 28.495 29.282 -0.787 25439 20409 1 28 . 1 1 17 17 GLU H H 17 9.088 9.088 8.108 0.980 25439 20410 1 28 . 1 1 18 18 LYS N N 18 115.887 115.887 118.148 -2.261 25439 20411 1 28 . 1 1 18 18 LYS HA H 18 4.165 4.165 4.064 0.101 25439 20412 1 28 . 1 1 18 18 LYS CA C 18 58.249 58.249 58.984 -0.735 25439 20413 1 28 . 1 1 18 18 LYS CB C 18 32.725 32.725 32.798 -0.073 25439 20414 1 28 . 1 1 18 18 LYS H H 18 7.285 7.285 7.812 -0.527 25439 20415 1 28 . 1 1 19 19 ILE N N 19 110.277 110.277 111.402 -1.125 25439 20416 1 28 . 1 1 19 19 ILE HA H 19 4.722 4.722 4.653 0.069 25439 20417 1 28 . 1 1 19 19 ILE CA C 19 61.093 61.093 59.847 1.246 25439 20418 1 28 . 1 1 19 19 ILE CB C 19 39.139 39.139 38.069 1.070 25439 20419 1 28 . 1 1 19 19 ILE H H 19 7.031 7.031 7.438 -0.407 25439 20420 1 28 . 1 1 20 20 LYS N N 20 124.540 124.540 122.698 1.842 25439 20421 1 28 . 1 1 20 20 LYS HA H 20 3.603 3.603 3.762 -0.159 25439 20422 1 28 . 1 1 20 20 LYS CA C 20 60.917 60.917 59.809 1.108 25439 20423 1 28 . 1 1 20 20 LYS CB C 20 30.210 30.210 30.562 -0.352 25439 20424 1 28 . 1 1 20 20 LYS H H 20 7.666 7.666 7.466 0.200 25439 20425 1 28 . 1 1 21 21 PRO HA H 21 4.292 4.292 4.595 -0.303 25439 20426 1 28 . 1 1 21 21 PRO CA C 21 66.990 66.990 65.263 1.727 25439 20427 1 28 . 1 1 21 21 PRO CB C 21 30.779 30.779 31.488 -0.709 25439 20428 1 28 . 1 1 22 22 THR N N 22 114.917 114.917 115.518 -0.601 25439 20429 1 28 . 1 1 22 22 THR HA H 22 3.866 3.866 4.089 -0.223 25439 20430 1 28 . 1 1 22 22 THR CA C 22 66.575 66.575 66.732 -0.157 25439 20431 1 28 . 1 1 22 22 THR CB C 22 68.731 68.731 68.201 0.530 25439 20432 1 28 . 1 1 22 22 THR H H 22 7.331 7.331 8.411 -1.080 25439 20433 1 28 . 1 1 23 23 LEU N N 23 120.152 120.152 120.514 -0.362 25439 20434 1 28 . 1 1 23 23 LEU HA H 23 4.397 4.397 3.936 0.461 25439 20435 1 28 . 1 1 23 23 LEU CA C 23 58.740 58.740 57.810 0.930 25439 20436 1 28 . 1 1 23 23 LEU CB C 23 40.489 40.489 41.892 -1.403 25439 20437 1 28 . 1 1 23 23 LEU H H 23 7.991 7.991 7.542 0.449 25439 20438 1 28 . 1 1 24 24 THR N N 24 119.365 119.365 115.170 4.195 25439 20439 1 28 . 1 1 24 24 THR HA H 24 4.095 4.095 3.878 0.217 25439 20440 1 28 . 1 1 24 24 THR CA C 24 66.834 66.834 66.941 -0.107 25439 20441 1 28 . 1 1 24 24 THR CB C 24 68.614 68.614 68.550 0.064 25439 20442 1 28 . 1 1 24 24 THR H H 24 9.175 9.175 7.425 1.750 25439 20443 1 28 . 1 1 25 25 ASP N N 25 122.865 122.865 120.926 1.939 25439 20444 1 28 . 1 1 25 25 ASP HA H 25 4.483 4.483 4.370 0.113 25439 20445 1 28 . 1 1 25 25 ASP CA C 25 58.158 58.158 57.146 1.012 25439 20446 1 28 . 1 1 25 25 ASP CB C 25 40.329 40.329 40.797 -0.468 25439 20447 1 28 . 1 1 25 25 ASP H H 25 7.714 7.714 7.681 0.033 25439 20448 1 28 . 1 1 26 26 PHE N N 26 116.182 116.182 119.116 -2.934 25439 20449 1 28 . 1 1 26 26 PHE HA H 26 4.457 4.457 4.139 0.318 25439 20450 1 28 . 1 1 26 26 PHE CA C 26 62.531 62.531 61.808 0.723 25439 20451 1 28 . 1 1 26 26 PHE CB C 26 39.468 39.468 38.870 0.598 25439 20452 1 28 . 1 1 26 26 PHE H H 26 7.816 7.816 7.840 -0.024 25439 20453 1 28 . 1 1 27 27 GLU N N 27 120.107 120.107 118.412 1.695 25439 20454 1 28 . 1 1 27 27 GLU HA H 27 4.113 4.113 4.076 0.037 25439 20455 1 28 . 1 1 27 27 GLU CA C 27 59.852 59.852 59.411 0.441 25439 20456 1 28 . 1 1 27 27 GLU CB C 27 29.692 29.692 29.135 0.557 25439 20457 1 28 . 1 1 27 27 GLU H H 27 8.068 8.068 7.911 0.157 25439 20458 1 28 . 1 1 28 28 ILE N N 28 121.494 121.494 118.890 2.604 25439 20459 1 28 . 1 1 28 28 ILE HA H 28 3.718 3.718 3.884 -0.166 25439 20460 1 28 . 1 1 28 28 ILE CA C 28 65.002 65.002 64.499 0.503 25439 20461 1 28 . 1 1 28 28 ILE CB C 28 38.023 38.023 38.334 -0.311 25439 20462 1 28 . 1 1 28 28 ILE H H 28 8.531 8.531 7.756 0.775 25439 20463 1 28 . 1 1 29 29 GLN N N 29 118.941 118.941 120.129 -1.188 25439 20464 1 28 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.136 0.044 25439 20465 1 28 . 1 1 29 29 GLN CA C 29 59.507 59.507 58.821 0.687 25439 20466 1 28 . 1 1 29 29 GLN CB C 29 29.783 29.783 28.687 1.096 25439 20467 1 28 . 1 1 29 29 GLN H H 29 8.117 8.117 7.509 0.608 25439 20468 1 28 . 1 1 30 30 LEU N N 30 121.724 121.724 120.279 1.445 25439 20469 1 28 . 1 1 30 30 LEU HA H 30 4.032 4.032 4.171 -0.139 25439 20470 1 28 . 1 1 30 30 LEU CA C 30 58.333 58.333 57.647 0.686 25439 20471 1 28 . 1 1 30 30 LEU CB C 30 42.339 42.339 42.167 0.172 25439 20472 1 28 . 1 1 30 30 LEU H H 30 8.677 8.677 8.409 0.268 25439 20473 1 28 . 1 1 31 31 ARG N N 31 120.629 120.629 118.720 1.909 25439 20474 1 28 . 1 1 31 31 ARG HA H 31 4.105 4.105 4.014 0.091 25439 20475 1 28 . 1 1 31 31 ARG CA C 31 59.340 59.340 59.383 -0.043 25439 20476 1 28 . 1 1 31 31 ARG CB C 31 30.044 30.044 29.465 0.579 25439 20477 1 28 . 1 1 31 31 ARG H H 31 8.227 8.227 7.991 0.236 25439 20478 1 28 . 1 1 32 32 ASP N N 32 120.233 120.233 120.937 -0.704 25439 20479 1 28 . 1 1 32 32 ASP HA H 32 4.484 4.484 4.435 0.049 25439 20480 1 28 . 1 1 32 32 ASP CA C 32 57.199 57.199 58.320 -1.121 25439 20481 1 28 . 1 1 32 32 ASP CB C 32 40.202 40.202 40.640 -0.438 25439 20482 1 28 . 1 1 32 32 ASP H H 32 8.407 8.407 7.643 0.764 25439 20483 1 28 . 1 1 33 33 ALA N N 33 121.939 121.939 122.248 -0.309 25439 20484 1 28 . 1 1 33 33 ALA HA H 33 4.321 4.321 4.054 0.267 25439 20485 1 28 . 1 1 33 33 ALA CA C 33 54.207 54.207 55.181 -0.974 25439 20486 1 28 . 1 1 33 33 ALA CB C 33 18.738 18.738 18.268 0.470 25439 20487 1 28 . 1 1 33 33 ALA H H 33 8.057 8.057 7.547 0.510 25439 20488 1 28 . 1 1 34 34 GLN N N 34 114.736 114.736 117.656 -2.920 25439 20489 1 28 . 1 1 34 34 GLN HA H 34 4.248 4.248 4.013 0.235 25439 20490 1 28 . 1 1 34 34 GLN CA C 34 56.567 56.567 58.963 -2.396 25439 20491 1 28 . 1 1 34 34 GLN CB C 34 29.743 29.743 28.658 1.085 25439 20492 1 28 . 1 1 34 34 GLN H H 34 7.746 7.746 8.033 -0.287 25439 20493 1 28 . 1 1 35 35 LYS N N 35 120.534 120.534 119.320 1.214 25439 20494 1 28 . 1 1 35 35 LYS HA H 35 4.232 4.232 4.258 -0.026 25439 20495 1 28 . 1 1 35 35 LYS CA C 35 57.427 57.427 58.246 -0.819 25439 20496 1 28 . 1 1 35 35 LYS CB C 35 32.887 32.887 32.788 0.099 25439 20497 1 28 . 1 1 35 35 LYS H H 35 7.570 7.570 7.417 0.153 25439 20498 1 28 . 1 1 36 36 ASP N N 36 120.943 120.943 120.286 0.657 25439 20499 1 28 . 1 1 36 36 ASP HA H 36 4.595 4.595 4.342 0.253 25439 20500 1 28 . 1 1 36 36 ASP CA C 36 54.983 54.983 57.359 -2.376 25439 20501 1 28 . 1 1 36 36 ASP CB C 36 41.129 41.129 40.854 0.275 25439 20502 1 28 . 1 1 36 36 ASP H H 36 8.375 8.375 8.506 -0.131 25439 20503 1 28 . 1 1 37 37 LYS N N 37 122.598 122.598 118.015 4.583 25439 20504 1 28 . 1 1 37 37 LYS HA H 37 4.365 4.365 3.987 0.378 25439 20505 1 28 . 1 1 37 37 LYS CA C 37 56.725 56.725 57.794 -1.069 25439 20506 1 28 . 1 1 37 37 LYS CB C 37 32.823 32.823 32.953 -0.130 25439 20507 1 28 . 1 1 37 37 LYS H H 37 8.446 8.446 7.997 0.449 25439 20508 1 28 . 1 1 38 38 SER N N 38 115.849 115.849 111.347 4.502 25439 20509 1 28 . 1 1 38 38 SER HA H 38 4.423 4.423 4.246 0.177 25439 20510 1 28 . 1 1 38 38 SER CA C 38 59.193 59.193 59.425 -0.232 25439 20511 1 28 . 1 1 38 38 SER CB C 38 63.744 63.744 63.384 0.360 25439 20512 1 28 . 1 1 38 38 SER H H 38 8.392 8.392 7.583 0.809 25439 20513 1 28 . 1 1 39 39 SER N N 39 117.258 117.258 116.356 0.902 25439 20514 1 28 . 1 1 39 39 SER HA H 39 4.445 4.445 4.431 0.014 25439 20515 1 28 . 1 1 39 39 SER CA C 39 58.933 58.933 59.214 -0.281 25439 20516 1 28 . 1 1 39 39 SER CB C 39 63.711 63.711 63.970 -0.259 25439 20517 1 28 . 1 1 39 39 SER H H 39 8.283 8.283 8.498 -0.215 25439 20518 1 28 . 1 1 40 40 LYS N N 40 122.427 122.427 123.022 -0.595 25439 20519 1 28 . 1 1 40 40 LYS HA H 40 4.321 4.321 4.436 -0.115 25439 20520 1 28 . 1 1 40 40 LYS CA C 40 56.847 56.847 56.071 0.776 25439 20521 1 28 . 1 1 40 40 LYS CB C 40 32.764 32.764 32.159 0.605 25439 20522 1 28 . 1 1 40 40 LYS H H 40 8.263 8.263 8.331 -0.068 25439 20523 1 28 . 1 1 41 41 LEU N N 41 121.281 121.281 122.633 -1.352 25439 20524 1 28 . 1 1 41 41 LEU HA H 41 4.308 4.308 4.400 -0.092 25439 20525 1 28 . 1 1 41 41 LEU CA C 41 55.335 55.335 55.869 -0.534 25439 20526 1 28 . 1 1 41 41 LEU CB C 41 42.212 42.212 42.770 -0.558 25439 20527 1 28 . 1 1 41 41 LEU H H 41 8.068 8.068 8.581 -0.513 25439 20528 1 28 . 1 1 42 42 ALA N N 42 123.964 123.964 120.414 3.550 25439 20529 1 28 . 1 1 42 42 ALA HA H 42 4.274 4.274 4.217 0.057 25439 20530 1 28 . 1 1 42 42 ALA CA C 42 52.851 52.851 52.955 -0.104 25439 20531 1 28 . 1 1 42 42 ALA CB C 42 19.135 19.135 18.909 0.226 25439 20532 1 28 . 1 1 42 42 ALA H H 42 8.111 8.111 8.273 -0.162 25439 20533 1 28 . 1 1 43 43 ALA N N 43 122.146 122.146 122.211 -0.065 25439 20534 1 28 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.298 -0.001 25439 20535 1 28 . 1 1 43 43 ALA CA C 43 52.727 52.727 51.891 0.836 25439 20536 1 28 . 1 1 43 43 ALA CB C 43 19.318 19.318 19.571 -0.253 25439 20537 1 28 . 1 1 43 43 ALA H H 43 8.101 8.101 7.690 0.411 25439 20538 1 28 . 1 1 44 44 LYS N N 44 119.454 119.454 119.729 -0.275 25439 20539 1 28 . 1 1 44 44 LYS HA H 44 4.349 4.349 3.905 0.444 25439 20540 1 28 . 1 1 44 44 LYS CA C 44 56.267 56.267 56.484 -0.217 25439 20541 1 28 . 1 1 44 44 LYS CB C 44 32.825 32.825 31.864 0.961 25439 20542 1 28 . 1 1 44 44 LYS H H 44 8.198 8.198 8.330 -0.132 25439 20543 1 28 . 1 1 45 45 SER N N 45 116.660 116.660 116.132 0.528 25439 20544 1 28 . 1 1 45 45 SER HA H 45 4.368 4.368 4.401 -0.033 25439 20545 1 28 . 1 1 45 45 SER CA C 45 58.477 58.477 59.135 -0.657 25439 20546 1 28 . 1 1 45 45 SER CB C 45 64.063 64.063 64.056 0.007 25439 20547 1 28 . 1 1 45 45 SER H H 45 8.251 8.251 8.192 0.059 25439 20548 1 28 . 1 1 46 46 ASN N N 46 120.516 120.516 119.931 0.585 25439 20549 1 28 . 1 1 46 46 ASN HA H 46 4.361 4.361 4.300 0.061 25439 20550 1 28 . 1 1 46 46 ASN CA C 46 54.657 54.657 55.917 -1.260 25439 20551 1 28 . 1 1 46 46 ASN CB C 46 37.649 37.649 37.773 -0.124 25439 20552 1 28 . 1 1 46 46 ASN H H 46 8.498 8.498 8.523 -0.025 25439 20553 1 28 . 1 1 47 47 GLU N N 47 117.964 117.964 117.877 0.087 25439 20554 1 28 . 1 1 47 47 GLU HA H 47 3.350 3.350 2.778 0.572 25439 20555 1 28 . 1 1 47 47 GLU CA C 47 59.213 59.213 59.007 0.206 25439 20556 1 28 . 1 1 47 47 GLU CB C 47 28.998 28.998 28.775 0.223 25439 20557 1 28 . 1 1 47 47 GLU H H 47 8.016 8.016 8.292 -0.276 25439 20558 1 28 . 1 1 48 48 GLN N N 48 119.468 119.468 119.067 0.401 25439 20559 1 28 . 1 1 48 48 GLN HA H 48 4.250 4.250 4.040 0.210 25439 20560 1 28 . 1 1 48 48 GLN CA C 48 58.529 58.529 58.261 0.268 25439 20561 1 28 . 1 1 48 48 GLN CB C 48 28.902 28.902 28.162 0.740 25439 20562 1 28 . 1 1 48 48 GLN H H 48 7.892 7.892 7.387 0.505 25439 20563 1 28 . 1 1 49 49 LEU N N 49 120.145 120.145 119.862 0.283 25439 20564 1 28 . 1 1 49 49 LEU HA H 49 4.232 4.232 4.042 0.190 25439 20565 1 28 . 1 1 49 49 LEU CA C 49 57.479 57.479 57.533 -0.054 25439 20566 1 28 . 1 1 49 49 LEU CB C 49 41.391 41.391 41.555 -0.164 25439 20567 1 28 . 1 1 49 49 LEU H H 49 7.699 7.699 7.299 0.400 25439 20568 1 28 . 1 1 50 50 TRP N N 50 119.596 119.596 118.013 1.583 25439 20569 1 28 . 1 1 50 50 TRP HA H 50 4.520 4.520 4.401 0.119 25439 20570 1 28 . 1 1 50 50 TRP CA C 50 58.353 58.353 58.189 0.164 25439 20571 1 28 . 1 1 50 50 TRP CB C 50 28.880 28.880 27.933 0.947 25439 20572 1 28 . 1 1 50 50 TRP H H 50 8.385 8.385 7.902 0.483 25439 20573 1 28 . 1 1 51 51 GLU N N 51 119.362 119.362 118.124 1.238 25439 20574 1 28 . 1 1 51 51 GLU HA H 51 4.145 4.145 4.154 -0.009 25439 20575 1 28 . 1 1 51 51 GLU CA C 51 60.035 60.035 59.842 0.193 25439 20576 1 28 . 1 1 51 51 GLU CB C 51 29.675 29.675 29.053 0.622 25439 20577 1 28 . 1 1 51 51 GLU H H 51 8.223 8.223 7.887 0.336 25439 20578 1 28 . 1 1 52 52 ILE N N 52 119.018 119.018 119.514 -0.496 25439 20579 1 28 . 1 1 52 52 ILE HA H 52 3.673 3.673 3.763 -0.090 25439 20580 1 28 . 1 1 52 52 ILE CA C 52 65.511 65.511 65.174 0.337 25439 20581 1 28 . 1 1 52 52 ILE CB C 52 38.532 38.532 37.965 0.567 25439 20582 1 28 . 1 1 52 52 ILE H H 52 7.801 7.801 7.171 0.630 25439 20583 1 28 . 1 1 53 53 MET N N 53 118.133 118.133 117.642 0.491 25439 20584 1 28 . 1 1 53 53 MET HA H 53 4.452 4.452 4.093 0.359 25439 20585 1 28 . 1 1 53 53 MET CA C 53 58.216 58.216 58.293 -0.077 25439 20586 1 28 . 1 1 53 53 MET CB C 53 31.838 31.838 31.639 0.199 25439 20587 1 28 . 1 1 53 53 MET H H 53 8.411 8.411 8.177 0.234 25439 20588 1 28 . 1 1 54 54 GLN N N 54 120.855 120.855 119.038 1.817 25439 20589 1 28 . 1 1 54 54 GLN HA H 54 4.333 4.333 3.969 0.364 25439 20590 1 28 . 1 1 54 54 GLN CA C 54 59.004 59.004 59.315 -0.311 25439 20591 1 28 . 1 1 54 54 GLN CB C 54 27.824 27.824 28.747 -0.923 25439 20592 1 28 . 1 1 54 54 GLN H H 54 8.860 8.860 8.192 0.668 25439 20593 1 28 . 1 1 55 55 LEU N N 55 122.788 122.788 118.711 4.077 25439 20594 1 28 . 1 1 55 55 LEU HA H 55 4.302 4.302 4.234 0.068 25439 20595 1 28 . 1 1 55 55 LEU CA C 55 58.685 58.685 57.934 0.751 25439 20596 1 28 . 1 1 55 55 LEU CB C 55 42.695 42.695 41.811 0.884 25439 20597 1 28 . 1 1 55 55 LEU H H 55 8.298 8.298 7.844 0.454 25439 20598 1 28 . 1 1 56 56 HIS N N 56 118.426 118.426 118.189 0.237 25439 20599 1 28 . 1 1 56 56 HIS HA H 56 4.317 4.317 4.251 0.066 25439 20600 1 28 . 1 1 56 56 HIS CA C 56 60.732 60.732 60.051 0.681 25439 20601 1 28 . 1 1 56 56 HIS CB C 56 30.530 30.530 29.477 1.053 25439 20602 1 28 . 1 1 56 56 HIS H H 56 8.416 8.416 7.971 0.445 25439 20603 1 28 . 1 1 57 57 HIS N N 57 121.197 121.197 119.685 1.512 25439 20604 1 28 . 1 1 57 57 HIS HA H 57 4.318 4.318 4.470 -0.152 25439 20605 1 28 . 1 1 57 57 HIS CA C 57 60.739 60.739 58.888 1.851 25439 20606 1 28 . 1 1 57 57 HIS CB C 57 28.726 28.726 30.083 -1.357 25439 20607 1 28 . 1 1 57 57 HIS H H 57 8.608 8.608 8.092 0.516 25439 20608 1 28 . 1 1 58 58 GLN N N 58 118.739 118.739 119.267 -0.528 25439 20609 1 28 . 1 1 58 58 GLN HA H 58 4.202 4.202 4.175 0.027 25439 20610 1 28 . 1 1 58 58 GLN CA C 58 59.507 59.507 59.439 0.068 25439 20611 1 28 . 1 1 58 58 GLN CB C 58 29.111 29.111 28.976 0.135 25439 20612 1 28 . 1 1 58 58 GLN H H 58 9.206 9.206 8.053 1.153 25439 20613 1 28 . 1 1 59 59 ARG N N 59 122.498 122.498 120.107 2.391 25439 20614 1 28 . 1 1 59 59 ARG HA H 59 3.437 3.437 3.652 -0.215 25439 20615 1 28 . 1 1 59 59 ARG CA C 59 60.361 60.361 59.779 0.582 25439 20616 1 28 . 1 1 59 59 ARG H H 59 8.623 8.623 8.751 -0.128 25439 20617 1 28 . 1 1 60 60 SER N N 60 114.930 114.930 115.215 -0.285 25439 20618 1 28 . 1 1 60 60 SER HA H 60 4.515 4.515 4.211 0.304 25439 20619 1 28 . 1 1 60 60 SER CA C 60 64.832 64.832 61.590 3.242 25439 20620 1 28 . 1 1 60 60 SER CB C 60 63.583 63.583 63.065 0.518 25439 20621 1 28 . 1 1 60 60 SER H H 60 7.993 7.993 8.559 -0.566 25439 20622 1 28 . 1 1 61 61 ARG N N 61 124.417 124.417 122.769 1.648 25439 20623 1 28 . 1 1 61 61 ARG HA H 61 4.204 4.204 4.171 0.033 25439 20624 1 28 . 1 1 61 61 ARG CA C 61 58.852 58.852 59.686 -0.834 25439 20625 1 28 . 1 1 61 61 ARG CB C 61 29.077 29.077 30.215 -1.138 25439 20626 1 28 . 1 1 61 61 ARG H H 61 9.569 9.569 8.405 1.164 25439 20627 1 28 . 1 1 62 62 TYR N N 62 124.484 124.484 120.865 3.619 25439 20628 1 28 . 1 1 62 62 TYR HA H 62 4.676 4.676 4.266 0.410 25439 20629 1 28 . 1 1 62 62 TYR CA C 62 61.006 61.006 62.056 -1.050 25439 20630 1 28 . 1 1 62 62 TYR CB C 62 38.392 38.392 38.700 -0.308 25439 20631 1 28 . 1 1 62 62 TYR H H 62 8.622 8.622 8.499 0.123 25439 20632 1 28 . 1 1 63 63 ILE N N 63 119.789 119.789 119.070 0.719 25439 20633 1 28 . 1 1 63 63 ILE HA H 63 3.492 3.492 3.795 -0.303 25439 20634 1 28 . 1 1 63 63 ILE CA C 63 65.693 65.693 65.483 0.210 25439 20635 1 28 . 1 1 63 63 ILE CB C 63 38.023 38.023 38.333 -0.310 25439 20636 1 28 . 1 1 63 63 ILE H H 63 7.588 7.588 8.187 -0.599 25439 20637 1 28 . 1 1 64 64 TYR N N 64 120.485 120.485 121.337 -0.852 25439 20638 1 28 . 1 1 64 64 TYR HA H 64 4.577 4.577 4.400 0.177 25439 20639 1 28 . 1 1 64 64 TYR CA C 64 61.759 61.759 62.031 -0.272 25439 20640 1 28 . 1 1 64 64 TYR CB C 64 39.772 39.772 38.303 1.469 25439 20641 1 28 . 1 1 64 64 TYR H H 64 9.166 9.166 9.201 -0.035 25439 20642 1 28 . 1 1 65 65 THR N N 65 117.072 117.072 116.695 0.377 25439 20643 1 28 . 1 1 65 65 THR HA H 65 3.562 3.562 3.967 -0.405 25439 20644 1 28 . 1 1 65 65 THR CA C 65 67.016 67.016 66.863 0.153 25439 20645 1 28 . 1 1 65 65 THR CB C 65 68.711 68.711 69.068 -0.357 25439 20646 1 28 . 1 1 65 65 THR H H 65 8.987 8.987 8.408 0.579 25439 20647 1 28 . 1 1 66 66 LEU N N 66 122.107 122.107 121.553 0.554 25439 20648 1 28 . 1 1 66 66 LEU HA H 66 3.782 3.782 4.236 -0.454 25439 20649 1 28 . 1 1 66 66 LEU CA C 66 58.476 58.476 58.084 0.392 25439 20650 1 28 . 1 1 66 66 LEU CB C 66 43.183 43.183 40.975 2.208 25439 20651 1 28 . 1 1 66 66 LEU H H 66 8.286 8.286 7.670 0.616 25439 20652 1 28 . 1 1 67 67 TYR N N 67 115.264 115.264 119.236 -3.972 25439 20653 1 28 . 1 1 67 67 TYR HA H 67 4.344 4.344 4.085 0.259 25439 20654 1 28 . 1 1 67 67 TYR CA C 67 60.830 60.830 61.658 -0.828 25439 20655 1 28 . 1 1 67 67 TYR CB C 67 40.376 40.376 39.493 0.882 25439 20656 1 28 . 1 1 67 67 TYR H H 67 7.983 7.983 8.443 -0.460 25439 20657 1 28 . 1 1 68 68 TYR N N 68 113.945 113.945 116.361 -2.416 25439 20658 1 28 . 1 1 68 68 TYR HA H 68 3.699 3.699 4.225 -0.526 25439 20659 1 28 . 1 1 68 68 TYR CA C 68 62.030 62.030 60.456 1.574 25439 20660 1 28 . 1 1 68 68 TYR CB C 68 38.046 38.046 38.754 -0.708 25439 20661 1 28 . 1 1 68 68 TYR H H 68 8.297 8.297 7.615 0.682 25439 20662 1 28 . 1 1 69 69 LYS N N 69 114.346 114.346 118.645 -4.299 25439 20663 1 28 . 1 1 69 69 LYS HA H 69 4.564 4.564 4.325 0.239 25439 20664 1 28 . 1 1 69 69 LYS CA C 69 56.821 56.821 57.002 -0.181 25439 20665 1 28 . 1 1 69 69 LYS CB C 69 31.980 31.980 33.140 -1.160 25439 20666 1 28 . 1 1 69 69 LYS H H 69 7.084 7.084 7.475 -0.391 25439 20667 1 28 . 1 1 70 70 ARG N N 70 114.676 114.676 119.219 -4.543 25439 20668 1 28 . 1 1 70 70 ARG HA H 70 4.251 4.251 4.149 0.102 25439 20669 1 28 . 1 1 70 70 ARG CA C 70 56.314 56.314 57.125 -0.811 25439 20670 1 28 . 1 1 70 70 ARG CB C 70 31.128 31.128 30.719 0.409 25439 20671 1 28 . 1 1 70 70 ARG H H 70 8.178 8.178 8.122 0.056 25439 20672 1 28 . 1 1 71 71 LYS N N 71 115.371 115.371 115.741 -0.370 25439 20673 1 28 . 1 1 71 71 LYS HA H 71 4.036 4.036 3.773 0.263 25439 20674 1 28 . 1 1 71 71 LYS CA C 71 57.121 57.121 57.114 0.007 25439 20675 1 28 . 1 1 71 71 LYS CB C 71 28.897 28.897 30.457 -1.560 25439 20676 1 28 . 1 1 71 71 LYS H H 71 6.843 6.843 7.736 -0.893 25439 20677 1 28 . 1 1 72 72 ALA N N 72 117.701 117.701 121.417 -3.716 25439 20678 1 28 . 1 1 72 72 ALA HA H 72 4.395 4.395 4.424 -0.029 25439 20679 1 28 . 1 1 72 72 ALA CA C 72 52.597 52.597 51.788 0.809 25439 20680 1 28 . 1 1 72 72 ALA CB C 72 21.560 21.560 19.789 1.771 25439 20681 1 28 . 1 1 72 72 ALA H H 72 8.560 8.560 7.779 0.781 25439 20682 1 28 . 1 1 73 73 ILE N N 73 107.605 107.605 117.745 -10.140 25439 20683 1 28 . 1 1 73 73 ILE CB C 73 42.724 42.724 40.941 1.783 25439 20684 1 28 . 1 1 73 73 ILE H H 73 7.074 7.074 7.472 -0.398 25439 20685 1 28 . 1 1 74 74 SER N N 74 118.425 118.425 117.367 1.058 25439 20686 1 28 . 1 1 74 74 SER HA H 74 4.484 4.484 4.899 -0.415 25439 20687 1 28 . 1 1 74 74 SER CA C 74 57.082 57.082 57.343 -0.261 25439 20688 1 28 . 1 1 74 74 SER CB C 74 65.396 65.396 65.099 0.297 25439 20689 1 28 . 1 1 74 74 SER H H 74 8.797 8.797 8.439 0.358 25439 20690 1 28 . 1 1 75 75 LYS N N 75 121.891 121.891 125.455 -3.564 25439 20691 1 28 . 1 1 75 75 LYS HA H 75 3.851 3.851 4.211 -0.360 25439 20692 1 28 . 1 1 75 75 LYS CA C 75 59.624 59.624 60.255 -0.631 25439 20693 1 28 . 1 1 75 75 LYS CB C 75 32.368 32.368 32.548 -0.180 25439 20694 1 28 . 1 1 75 75 LYS H H 75 9.024 9.024 9.119 -0.095 25439 20695 1 28 . 1 1 76 76 ASP N N 76 115.908 115.908 118.691 -2.783 25439 20696 1 28 . 1 1 76 76 ASP HA H 76 4.423 4.423 4.406 0.017 25439 20697 1 28 . 1 1 76 76 ASP CA C 76 57.362 57.362 57.752 -0.390 25439 20698 1 28 . 1 1 76 76 ASP CB C 76 40.391 40.391 40.209 0.182 25439 20699 1 28 . 1 1 76 76 ASP H H 76 8.161 8.161 8.502 -0.341 25439 20700 1 28 . 1 1 77 77 LEU N N 77 121.705 121.705 121.195 0.510 25439 20701 1 28 . 1 1 77 77 LEU HA H 77 4.180 4.180 4.116 0.064 25439 20702 1 28 . 1 1 77 77 LEU CA C 77 57.818 57.818 57.839 -0.021 25439 20703 1 28 . 1 1 77 77 LEU H H 77 8.345 8.345 7.687 0.658 25439 20704 1 28 . 1 1 78 78 TYR N N 78 121.511 121.511 119.890 1.621 25439 20705 1 28 . 1 1 78 78 TYR HA H 78 3.789 3.789 3.988 -0.199 25439 20706 1 28 . 1 1 78 78 TYR CA C 78 62.857 62.857 60.782 2.075 25439 20707 1 28 . 1 1 78 78 TYR CB C 78 38.369 38.369 37.735 0.634 25439 20708 1 28 . 1 1 78 78 TYR H H 78 8.598 8.598 8.700 -0.102 25439 20709 1 28 . 1 1 79 79 ASP N N 79 117.189 117.189 119.616 -2.427 25439 20710 1 28 . 1 1 79 79 ASP HA H 79 4.066 4.066 4.022 0.044 25439 20711 1 28 . 1 1 79 79 ASP CA C 79 57.219 57.219 56.948 0.271 25439 20712 1 28 . 1 1 79 79 ASP CB C 79 40.003 40.003 40.589 -0.586 25439 20713 1 28 . 1 1 79 79 ASP H H 79 9.106 9.106 8.545 0.561 25439 20714 1 28 . 1 1 80 80 TRP N N 80 123.400 123.400 122.487 0.913 25439 20715 1 28 . 1 1 80 80 TRP HA H 80 4.160 4.160 4.112 0.048 25439 20716 1 28 . 1 1 80 80 TRP CA C 80 62.368 62.368 61.801 0.567 25439 20717 1 28 . 1 1 80 80 TRP CB C 80 29.969 29.969 29.305 0.664 25439 20718 1 28 . 1 1 80 80 TRP H H 80 7.931 7.931 8.566 -0.635 25439 20719 1 28 . 1 1 81 81 LEU N N 81 119.674 119.674 119.017 0.657 25439 20720 1 28 . 1 1 81 81 LEU HA H 81 3.971 3.971 2.628 1.343 25439 20721 1 28 . 1 1 81 81 LEU CA C 81 58.294 58.294 57.746 0.548 25439 20722 1 28 . 1 1 81 81 LEU CB C 81 41.818 41.818 41.539 0.279 25439 20723 1 28 . 1 1 81 81 LEU H H 81 8.814 8.814 8.154 0.660 25439 20724 1 28 . 1 1 82 82 ILE N N 82 118.746 118.746 118.898 -0.152 25439 20725 1 28 . 1 1 82 82 ILE HA H 82 3.861 3.861 3.860 0.001 25439 20726 1 28 . 1 1 82 82 ILE CA C 82 62.734 62.734 64.789 -2.055 25439 20727 1 28 . 1 1 82 82 ILE CB C 82 36.236 36.236 37.719 -1.484 25439 20728 1 28 . 1 1 82 82 ILE H H 82 7.886 7.886 7.549 0.337 25439 20729 1 28 . 1 1 83 83 LYS N N 83 124.819 124.819 118.843 5.976 25439 20730 1 28 . 1 1 83 83 LYS HA H 83 3.911 3.911 4.081 -0.170 25439 20731 1 28 . 1 1 83 83 LYS CA C 83 59.643 59.643 58.005 1.638 25439 20732 1 28 . 1 1 83 83 LYS CB C 83 32.027 32.027 32.378 -0.351 25439 20733 1 28 . 1 1 83 83 LYS H H 83 8.224 8.224 7.890 0.334 25439 20734 1 28 . 1 1 84 84 GLU N N 84 115.404 115.404 117.694 -2.290 25439 20735 1 28 . 1 1 84 84 GLU HA H 84 3.841 3.841 4.339 -0.498 25439 20736 1 28 . 1 1 84 84 GLU CA C 84 55.582 55.582 54.484 1.097 25439 20737 1 28 . 1 1 84 84 GLU CB C 84 29.459 29.459 28.954 0.505 25439 20738 1 28 . 1 1 84 84 GLU H H 84 8.138 8.138 7.231 0.907 25439 20739 1 28 . 1 1 85 85 LYS N N 85 111.563 111.563 118.285 -6.722 25439 20740 1 28 . 1 1 85 85 LYS HA H 85 3.820 3.820 4.049 -0.229 25439 20741 1 28 . 1 1 85 85 LYS CA C 85 57.890 57.890 57.189 0.701 25439 20742 1 28 . 1 1 85 85 LYS CB C 85 28.005 28.005 30.500 -2.494 25439 20743 1 28 . 1 1 85 85 LYS H H 85 7.719 7.719 7.745 -0.026 25439 20744 1 28 . 1 1 86 86 TYR N N 86 116.916 116.916 119.939 -3.023 25439 20745 1 28 . 1 1 86 86 TYR HA H 86 4.137 4.137 4.526 -0.389 25439 20746 1 28 . 1 1 86 86 TYR CA C 86 61.228 61.228 58.934 2.294 25439 20747 1 28 . 1 1 86 86 TYR CB C 86 39.535 39.535 40.174 -0.639 25439 20748 1 28 . 1 1 86 86 TYR H H 86 8.521 8.521 8.062 0.459 25439 20749 1 28 . 1 1 87 87 ALA N N 87 113.715 113.715 118.613 -4.898 25439 20750 1 28 . 1 1 87 87 ALA HA H 87 4.738 4.738 4.475 0.263 25439 20751 1 28 . 1 1 87 87 ALA CA C 87 49.121 49.121 50.490 -1.369 25439 20752 1 28 . 1 1 87 87 ALA CB C 87 23.295 23.295 22.202 1.093 25439 20753 1 28 . 1 1 87 87 ALA H H 87 6.959 6.959 7.820 -0.861 25439 20754 1 28 . 1 1 88 88 ASP N N 88 119.344 119.344 120.765 -1.421 25439 20755 1 28 . 1 1 88 88 ASP HA H 88 4.544 4.544 4.914 -0.370 25439 20756 1 28 . 1 1 88 88 ASP CA C 88 52.714 52.714 52.998 -0.284 25439 20757 1 28 . 1 1 88 88 ASP CB C 88 41.845 41.845 42.991 -1.146 25439 20758 1 28 . 1 1 88 88 ASP H H 88 7.870 7.870 8.669 -0.799 25439 20759 1 28 . 1 1 89 89 LYS N N 89 125.312 125.312 126.427 -1.115 25439 20760 1 28 . 1 1 89 89 LYS HA H 89 3.834 3.834 4.060 -0.226 25439 20761 1 28 . 1 1 89 89 LYS CA C 89 59.409 59.409 59.834 -0.425 25439 20762 1 28 . 1 1 89 89 LYS CB C 89 32.848 32.848 32.536 0.312 25439 20763 1 28 . 1 1 89 89 LYS H H 89 8.467 8.467 8.782 -0.315 25439 20764 1 28 . 1 1 90 90 LEU N N 90 119.899 119.899 120.531 -0.632 25439 20765 1 28 . 1 1 90 90 LEU HA H 90 4.023 4.023 4.003 0.020 25439 20766 1 28 . 1 1 90 90 LEU CA C 90 57.049 57.049 57.963 -0.914 25439 20767 1 28 . 1 1 90 90 LEU CB C 90 41.099 41.099 41.697 -0.598 25439 20768 1 28 . 1 1 90 90 LEU H H 90 8.076 8.076 8.001 0.075 25439 20769 1 28 . 1 1 91 91 LEU N N 91 123.148 123.148 120.417 2.731 25439 20770 1 28 . 1 1 91 91 LEU HA H 91 3.498 3.498 3.720 -0.222 25439 20771 1 28 . 1 1 91 91 LEU CA C 91 56.971 56.971 57.767 -0.796 25439 20772 1 28 . 1 1 91 91 LEU CB C 91 41.823 41.823 41.657 0.167 25439 20773 1 28 . 1 1 91 91 LEU H H 91 7.120 7.120 7.651 -0.531 25439 20774 1 28 . 1 1 92 92 ILE N N 92 116.780 116.780 118.584 -1.804 25439 20775 1 28 . 1 1 92 92 ILE HA H 92 3.265 3.265 3.587 -0.322 25439 20776 1 28 . 1 1 92 92 ILE CA C 92 65.178 65.178 65.273 -0.095 25439 20777 1 28 . 1 1 92 92 ILE CB C 92 38.209 38.209 37.622 0.587 25439 20778 1 28 . 1 1 92 92 ILE H H 92 7.384 7.384 7.702 -0.318 25439 20779 1 28 . 1 1 93 93 ALA N N 93 117.061 117.061 122.089 -5.028 25439 20780 1 28 . 1 1 93 93 ALA HA H 93 3.930 3.930 4.019 -0.089 25439 20781 1 28 . 1 1 93 93 ALA CA C 93 54.839 54.839 55.414 -0.575 25439 20782 1 28 . 1 1 93 93 ALA CB C 93 18.125 18.125 18.168 -0.043 25439 20783 1 28 . 1 1 93 93 ALA H H 93 7.437 7.437 8.742 -1.305 25439 20784 1 28 . 1 1 94 94 LYS N N 94 116.036 116.036 119.010 -2.974 25439 20785 1 28 . 1 1 94 94 LYS HA H 94 3.803 3.803 3.654 0.149 25439 20786 1 28 . 1 1 94 94 LYS CA C 94 56.945 56.945 58.543 -1.598 25439 20787 1 28 . 1 1 94 94 LYS CB C 94 31.047 31.047 31.616 -0.570 25439 20788 1 28 . 1 1 94 94 LYS H H 94 7.012 7.012 7.786 -0.774 25439 20789 1 28 . 1 1 95 95 TRP N N 95 118.700 118.700 116.929 1.771 25439 20790 1 28 . 1 1 95 95 TRP HA H 95 4.814 4.814 4.548 0.266 25439 20791 1 28 . 1 1 95 95 TRP CA C 95 57.136 57.136 58.984 -1.848 25439 20792 1 28 . 1 1 95 95 TRP CB C 95 28.171 28.171 28.916 -0.745 25439 20793 1 28 . 1 1 95 95 TRP H H 95 7.611 7.611 7.498 0.113 25439 20794 1 28 . 1 1 96 96 ARG N N 96 113.031 113.031 116.403 -3.372 25439 20795 1 28 . 1 1 96 96 ARG HA H 96 4.233 4.233 4.311 -0.078 25439 20796 1 28 . 1 1 96 96 ARG CA C 96 56.234 56.234 56.953 -0.719 25439 20797 1 28 . 1 1 96 96 ARG CB C 96 30.245 30.245 29.965 0.280 25439 20798 1 28 . 1 1 96 96 ARG H H 96 7.066 7.066 7.357 -0.291 25439 20799 1 28 . 1 1 97 97 LYS N N 97 123.252 123.252 119.508 3.744 25439 20800 1 28 . 1 1 97 97 LYS HA H 97 4.634 4.634 4.282 0.352 25439 20801 1 28 . 1 1 97 97 LYS CA C 97 54.937 54.937 57.063 -2.126 25439 20802 1 28 . 1 1 97 97 LYS CB C 97 34.166 34.166 32.707 1.459 25439 20803 1 28 . 1 1 97 97 LYS H H 97 8.467 8.467 8.024 0.443 25439 20804 1 28 . 1 1 98 98 THR N N 98 119.993 119.993 114.919 5.074 25439 20805 1 28 . 1 1 98 98 THR HA H 98 4.224 4.224 4.462 -0.238 25439 20806 1 28 . 1 1 98 98 THR CA C 98 64.670 64.670 62.449 2.221 25439 20807 1 28 . 1 1 98 98 THR CB C 98 69.200 69.200 69.217 -0.017 25439 20808 1 28 . 1 1 98 98 THR H H 98 8.329 8.329 8.241 0.088 25439 20809 1 28 . 1 1 99 99 GLY N N 99 116.645 116.645 115.617 1.028 25439 20810 1 28 . 1 1 99 99 GLY CA C 99 45.047 45.047 44.948 0.099 25439 20811 1 28 . 1 1 99 99 GLY H H 99 9.273 9.273 8.762 0.511 25439 20812 1 28 . 1 1 100 100 TYR N N 100 120.784 120.784 121.890 -1.106 25439 20813 1 28 . 1 1 100 100 TYR HA H 100 4.704 4.704 4.576 0.128 25439 20814 1 28 . 1 1 100 100 TYR CA C 100 57.697 57.697 56.125 1.572 25439 20815 1 28 . 1 1 100 100 TYR CB C 100 39.413 39.413 36.195 3.218 25439 20816 1 28 . 1 1 100 100 TYR H H 100 8.457 8.457 8.076 0.381 25439 20817 1 28 . 1 1 101 101 GLU N N 101 119.482 119.482 122.022 -2.540 25439 20818 1 28 . 1 1 101 101 GLU HA H 101 4.601 4.601 4.339 0.262 25439 20819 1 28 . 1 1 101 101 GLU CA C 101 61.207 61.207 57.909 3.298 25439 20820 1 28 . 1 1 101 101 GLU CB C 101 29.648 29.648 30.251 -0.603 25439 20821 1 28 . 1 1 101 101 GLU H H 101 9.836 9.836 7.949 1.887 25439 20822 1 28 . 1 1 102 102 LYS N N 102 115.179 115.179 121.032 -5.853 25439 20823 1 28 . 1 1 102 102 LYS HA H 102 4.295 4.295 4.534 -0.239 25439 20824 1 28 . 1 1 102 102 LYS CA C 102 54.207 54.207 55.182 -0.975 25439 20825 1 28 . 1 1 102 102 LYS CB C 102 32.489 32.489 32.092 0.397 25439 20826 1 28 . 1 1 102 102 LYS H H 102 8.291 8.291 7.873 0.418 25439 20827 1 28 . 1 1 103 103 LEU N N 103 119.637 119.637 122.867 -3.230 25439 20828 1 28 . 1 1 103 103 LEU HA H 103 4.385 4.385 4.792 -0.407 25439 20829 1 28 . 1 1 103 103 LEU CA C 103 56.549 56.549 54.330 2.219 25439 20830 1 28 . 1 1 103 103 LEU CB C 103 43.864 43.864 44.228 -0.364 25439 20831 1 28 . 1 1 103 103 LEU H H 103 7.642 7.642 8.252 -0.610 25439 20832 1 28 . 1 1 104 104 CYS N N 104 129.651 129.651 121.310 8.341 25439 20833 1 28 . 1 1 104 104 CYS HA H 104 4.498 4.498 4.903 -0.405 25439 20834 1 28 . 1 1 104 104 CYS CA C 104 58.076 58.076 58.566 -0.490 25439 20835 1 28 . 1 1 104 104 CYS CB C 104 32.301 32.301 28.247 4.054 25439 20836 1 28 . 1 1 104 104 CYS H H 104 8.638 8.638 8.900 -0.262 25439 20837 1 28 . 1 1 105 105 CYS N N 105 120.206 120.206 118.234 1.972 25439 20838 1 28 . 1 1 105 105 CYS HA H 105 4.806 4.806 4.788 0.018 25439 20839 1 28 . 1 1 105 105 CYS CA C 105 58.271 58.271 56.941 1.330 25439 20840 1 28 . 1 1 105 105 CYS CB C 105 32.062 32.062 30.008 2.054 25439 20841 1 28 . 1 1 105 105 CYS H H 105 8.158 8.158 8.037 0.121 25439 20842 1 28 . 1 1 106 106 LEU N N 106 115.513 115.513 120.870 -5.357 25439 20843 1 28 . 1 1 106 106 LEU HA H 106 4.054 4.054 4.223 -0.169 25439 20844 1 28 . 1 1 106 106 LEU CA C 106 56.110 56.110 56.482 -0.372 25439 20845 1 28 . 1 1 106 106 LEU CB C 106 41.227 41.227 42.318 -1.091 25439 20846 1 28 . 1 1 106 106 LEU H H 106 8.466 8.466 8.106 0.360 25439 20847 1 28 . 1 1 107 107 ARG N N 107 122.711 122.711 119.713 2.998 25439 20848 1 28 . 1 1 107 107 ARG HA H 107 3.993 3.993 4.345 -0.352 25439 20849 1 28 . 1 1 107 107 ARG CA C 107 58.311 58.311 56.348 1.963 25439 20850 1 28 . 1 1 107 107 ARG CB C 107 28.965 28.965 29.441 -0.475 25439 20851 1 28 . 1 1 107 107 ARG H H 107 8.131 8.131 8.124 0.007 25439 20852 1 28 . 1 1 108 108 CYS N N 108 119.055 119.055 118.979 0.076 25439 20853 1 28 . 1 1 108 108 CYS HA H 108 4.101 4.101 4.721 -0.620 25439 20854 1 28 . 1 1 108 108 CYS CA C 108 63.936 63.936 57.848 6.088 25439 20855 1 28 . 1 1 108 108 CYS CB C 108 30.934 30.934 27.143 3.791 25439 20856 1 28 . 1 1 108 108 CYS H H 108 8.010 8.010 8.136 -0.126 25439 20857 1 28 . 1 1 109 109 ILE N N 109 107.315 107.315 112.593 -5.278 25439 20858 1 28 . 1 1 109 109 ILE HA H 109 4.684 4.684 4.498 0.186 25439 20859 1 28 . 1 1 109 109 ILE CA C 109 60.483 60.483 61.364 -0.881 25439 20860 1 28 . 1 1 109 109 ILE CB C 109 38.320 38.320 38.524 -0.204 25439 20861 1 28 . 1 1 109 109 ILE H H 109 7.105 7.105 7.643 -0.538 25439 20862 1 28 . 1 1 110 110 GLN N N 110 122.468 122.468 119.641 2.827 25439 20863 1 28 . 1 1 110 110 GLN HA H 110 4.268 4.268 4.646 -0.378 25439 20864 1 28 . 1 1 110 110 GLN CA C 110 55.981 55.981 54.465 1.516 25439 20865 1 28 . 1 1 110 110 GLN CB C 110 29.656 29.656 32.632 -2.976 25439 20866 1 28 . 1 1 110 110 GLN H H 110 7.156 7.156 7.784 -0.628 25439 20867 1 28 . 1 1 111 111 LYS N N 111 124.650 124.650 123.927 0.723 25439 20868 1 28 . 1 1 111 111 LYS HA H 111 4.246 4.246 4.303 -0.057 25439 20869 1 28 . 1 1 111 111 LYS CA C 111 56.546 56.546 57.313 -0.767 25439 20870 1 28 . 1 1 111 111 LYS CB C 111 32.846 32.846 33.525 -0.679 25439 20871 1 28 . 1 1 111 111 LYS H H 111 8.522 8.522 8.721 -0.199 25439 20872 1 28 . 1 1 112 112 ASN N N 112 120.972 120.972 115.741 5.231 25439 20873 1 28 . 1 1 112 112 ASN HA H 112 4.778 4.778 4.448 0.330 25439 20874 1 28 . 1 1 112 112 ASN CA C 112 52.902 52.902 54.627 -1.725 25439 20875 1 28 . 1 1 112 112 ASN CB C 112 39.328 39.328 38.419 0.909 25439 20876 1 28 . 1 1 112 112 ASN H H 112 8.360 8.360 8.136 0.224 25439 20877 1 28 . 1 1 113 113 GLU N N 113 121.710 121.710 121.232 0.478 25439 20878 1 28 . 1 1 113 113 GLU HA H 113 4.248 4.248 4.530 -0.282 25439 20879 1 28 . 1 1 113 113 GLU CA C 113 58.611 58.611 56.070 2.541 25439 20880 1 28 . 1 1 113 113 GLU CB C 113 29.590 29.590 29.839 -0.249 25439 20881 1 28 . 1 1 113 113 GLU H H 113 9.023 9.023 8.524 0.499 25439 20882 1 28 . 1 1 114 114 THR N N 114 112.186 112.186 117.030 -4.844 25439 20883 1 28 . 1 1 114 114 THR HA H 114 4.321 4.321 4.558 -0.237 25439 20884 1 28 . 1 1 114 114 THR CA C 114 63.161 63.161 60.426 2.735 25439 20885 1 28 . 1 1 114 114 THR CB C 114 69.481 69.481 70.031 -0.550 25439 20886 1 28 . 1 1 114 114 THR H H 114 8.112 8.112 8.225 -0.113 25439 20887 1 28 . 1 1 115 115 ASN N N 115 119.112 119.112 117.913 1.199 25439 20888 1 28 . 1 1 115 115 ASN HA H 115 4.829 4.829 4.779 0.050 25439 20889 1 28 . 1 1 115 115 ASN CA C 115 53.110 53.110 52.869 0.241 25439 20890 1 28 . 1 1 115 115 ASN CB C 115 38.659 38.659 38.855 -0.196 25439 20891 1 28 . 1 1 115 115 ASN H H 115 8.047 8.047 8.479 -0.432 25439 20892 1 28 . 1 1 116 116 ASN N N 116 117.175 117.175 118.832 -1.657 25439 20893 1 28 . 1 1 116 116 ASN HA H 116 4.615 4.615 4.800 -0.185 25439 20894 1 28 . 1 1 116 116 ASN CA C 116 53.965 53.965 53.876 0.089 25439 20895 1 28 . 1 1 116 116 ASN CB C 116 38.173 38.173 39.380 -1.207 25439 20896 1 28 . 1 1 116 116 ASN H H 116 8.364 8.364 8.195 0.169 25439 20897 1 28 . 1 1 117 117 GLY N N 117 107.294 107.294 110.846 -3.552 25439 20898 1 28 . 1 1 117 117 GLY CA C 117 45.882 45.882 45.018 0.864 25439 20899 1 28 . 1 1 117 117 GLY H H 117 8.264 8.264 8.261 0.003 25439 20900 1 28 . 1 1 118 118 SER N N 118 115.475 115.475 119.415 -3.940 25439 20901 1 28 . 1 1 118 118 SER HA H 118 4.586 4.586 4.680 -0.094 25439 20902 1 28 . 1 1 118 118 SER CA C 118 57.974 57.974 57.662 0.312 25439 20903 1 28 . 1 1 118 118 SER CB C 118 64.479 64.479 65.244 -0.765 25439 20904 1 28 . 1 1 118 118 SER H H 118 7.905 7.905 8.322 -0.417 25439 20905 1 28 . 1 1 119 119 THR N N 119 111.360 111.360 114.969 -3.609 25439 20906 1 28 . 1 1 119 119 THR HA H 119 4.450 4.450 3.957 0.493 25439 20907 1 28 . 1 1 119 119 THR CA C 119 61.215 61.215 63.437 -2.222 25439 20908 1 28 . 1 1 119 119 THR CB C 119 70.569 70.569 68.613 1.956 25439 20909 1 28 . 1 1 119 119 THR H H 119 8.044 8.044 8.321 -0.277 25439 20910 1 28 . 1 1 120 120 CYS N N 120 122.708 122.708 120.138 2.570 25439 20911 1 28 . 1 1 120 120 CYS HA H 120 4.255 4.255 4.798 -0.543 25439 20912 1 28 . 1 1 120 120 CYS CA C 120 61.469 61.469 57.089 4.380 25439 20913 1 28 . 1 1 120 120 CYS CB C 120 30.892 30.892 29.848 1.044 25439 20914 1 28 . 1 1 120 120 CYS H H 120 8.045 8.045 8.381 -0.336 25439 20915 1 28 . 1 1 121 121 ILE N N 121 132.463 132.463 123.416 9.047 25439 20916 1 28 . 1 1 121 121 ILE HA H 121 4.025 4.025 3.837 0.188 25439 20917 1 28 . 1 1 121 121 ILE CA C 121 63.353 63.353 63.281 0.072 25439 20918 1 28 . 1 1 121 121 ILE CB C 121 38.222 38.222 38.243 -0.021 25439 20919 1 28 . 1 1 121 121 ILE H H 121 8.237 8.237 8.503 -0.266 25439 20920 1 28 . 1 1 122 122 CYS N N 122 123.931 123.931 117.504 6.427 25439 20921 1 28 . 1 1 122 122 CYS HA H 122 4.233 4.233 3.708 0.525 25439 20922 1 28 . 1 1 122 122 CYS CA C 122 60.230 60.230 60.297 -0.067 25439 20923 1 28 . 1 1 122 122 CYS CB C 122 30.602 30.602 25.646 4.956 25439 20924 1 28 . 1 1 122 122 CYS H H 122 9.355 9.355 7.728 1.627 25439 20925 1 28 . 1 1 123 123 ARG N N 123 119.561 119.561 122.217 -2.656 25439 20926 1 28 . 1 1 123 123 ARG HA H 123 4.150 4.150 4.368 -0.218 25439 20927 1 28 . 1 1 123 123 ARG CA C 123 53.177 53.177 57.707 -4.530 25439 20928 1 28 . 1 1 123 123 ARG CB C 123 27.961 27.961 30.458 -2.497 25439 20929 1 28 . 1 1 123 123 ARG H H 123 7.677 7.677 7.621 0.056 25439 20930 1 28 . 1 1 124 124 VAL N N 124 122.794 122.794 121.425 1.369 25439 20931 1 28 . 1 1 124 124 VAL HA H 124 4.081 4.081 3.934 0.147 25439 20932 1 28 . 1 1 124 124 VAL CA C 124 60.647 60.647 61.180 -0.533 25439 20933 1 28 . 1 1 124 124 VAL CB C 124 32.857 32.857 31.195 1.662 25439 20934 1 28 . 1 1 124 124 VAL H H 124 7.578 7.578 7.413 0.165 25439 20935 1 28 . 1 1 125 125 PRO HA H 125 4.263 4.263 4.513 -0.250 25439 20936 1 28 . 1 1 125 125 PRO CA C 125 63.268 63.268 62.293 0.975 25439 20937 1 28 . 1 1 125 125 PRO CB C 125 32.379 32.379 32.701 -0.322 25439 20938 1 28 . 1 1 126 126 ARG N N 126 128.350 128.350 121.387 6.963 25439 20939 1 28 . 1 1 126 126 ARG HA H 126 3.912 3.912 3.972 -0.060 25439 20940 1 28 . 1 1 126 126 ARG CA C 126 59.653 59.653 59.225 0.428 25439 20941 1 28 . 1 1 126 126 ARG CB C 126 29.339 29.339 29.380 -0.041 25439 20942 1 28 . 1 1 126 126 ARG H H 126 9.534 9.534 8.861 0.673 25439 20943 1 28 . 1 1 127 127 ALA N N 127 119.169 119.169 121.405 -2.236 25439 20944 1 28 . 1 1 127 127 ALA HA H 127 4.192 4.192 4.059 0.133 25439 20945 1 28 . 1 1 127 127 ALA CA C 127 55.227 55.227 54.990 0.237 25439 20946 1 28 . 1 1 127 127 ALA CB C 127 18.363 18.363 17.799 0.565 25439 20947 1 28 . 1 1 127 127 ALA H H 127 9.263 9.263 8.420 0.843 25439 20948 1 28 . 1 1 128 128 GLN N N 128 117.345 117.345 118.583 -1.238 25439 20949 1 28 . 1 1 128 128 GLN HA H 128 4.209 4.209 4.047 0.162 25439 20950 1 28 . 1 1 128 128 GLN CA C 128 58.506 58.506 58.545 -0.039 25439 20951 1 28 . 1 1 128 128 GLN CB C 128 28.220 28.220 28.188 0.032 25439 20952 1 28 . 1 1 128 128 GLN H H 128 7.448 7.448 8.272 -0.824 25439 20953 1 28 . 1 1 129 129 LEU N N 129 120.561 120.561 119.935 0.626 25439 20954 1 28 . 1 1 129 129 LEU HA H 129 4.088 4.088 3.881 0.207 25439 20955 1 28 . 1 1 129 129 LEU CA C 129 57.952 57.952 57.877 0.075 25439 20956 1 28 . 1 1 129 129 LEU CB C 129 41.817 41.817 41.807 0.010 25439 20957 1 28 . 1 1 129 129 LEU H H 129 7.622 7.622 7.584 0.038 25439 20958 1 28 . 1 1 130 130 GLU N N 130 119.122 119.122 118.596 0.526 25439 20959 1 28 . 1 1 130 130 GLU HA H 130 3.956 3.956 3.878 0.078 25439 20960 1 28 . 1 1 130 130 GLU CA C 130 59.353 59.353 59.789 -0.437 25439 20961 1 28 . 1 1 130 130 GLU CB C 130 29.337 29.337 29.220 0.117 25439 20962 1 28 . 1 1 130 130 GLU H H 130 8.656 8.656 8.024 0.632 25439 20963 1 28 . 1 1 131 131 GLU N N 131 121.469 121.469 118.854 2.615 25439 20964 1 28 . 1 1 131 131 GLU HA H 131 4.163 4.163 4.015 0.148 25439 20965 1 28 . 1 1 131 131 GLU CA C 131 59.288 59.288 59.497 -0.209 25439 20966 1 28 . 1 1 131 131 GLU CB C 131 29.422 29.422 29.405 0.017 25439 20967 1 28 . 1 1 131 131 GLU H H 131 7.922 7.922 7.747 0.175 25439 20968 1 28 . 1 1 132 132 GLU N N 132 119.241 119.241 119.627 -0.386 25439 20969 1 28 . 1 1 132 132 GLU HA H 132 3.998 3.998 4.088 -0.090 25439 20970 1 28 . 1 1 132 132 GLU CA C 132 59.327 59.327 59.249 0.078 25439 20971 1 28 . 1 1 132 132 GLU CB C 132 29.421 29.421 29.344 0.077 25439 20972 1 28 . 1 1 132 132 GLU H H 132 8.099 8.099 7.641 0.458 25439 20973 1 28 . 1 1 133 133 ALA N N 133 121.302 121.302 122.144 -0.842 25439 20974 1 28 . 1 1 133 133 ALA HA H 133 4.053 4.053 4.050 0.003 25439 20975 1 28 . 1 1 133 133 ALA CA C 133 54.973 54.973 55.180 -0.207 25439 20976 1 28 . 1 1 133 133 ALA CB C 133 18.154 18.154 18.462 -0.308 25439 20977 1 28 . 1 1 133 133 ALA H H 133 7.795 7.795 7.516 0.279 25439 20978 1 28 . 1 1 134 134 ARG N N 134 118.757 118.757 117.767 0.990 25439 20979 1 28 . 1 1 134 134 ARG HA H 134 4.143 4.143 4.077 0.066 25439 20980 1 28 . 1 1 134 134 ARG CA C 134 59.438 59.438 59.320 0.118 25439 20981 1 28 . 1 1 134 134 ARG CB C 134 30.148 30.148 30.218 -0.070 25439 20982 1 28 . 1 1 134 134 ARG H H 134 8.145 8.145 8.292 -0.147 25439 20983 1 28 . 1 1 135 135 LYS N N 135 119.496 119.496 119.662 -0.166 25439 20984 1 28 . 1 1 135 135 LYS HA H 135 4.073 4.073 4.183 -0.110 25439 20985 1 28 . 1 1 135 135 LYS CA C 135 59.327 59.327 58.533 0.794 25439 20986 1 28 . 1 1 135 135 LYS CB C 135 32.539 32.539 32.621 -0.082 25439 20987 1 28 . 1 1 135 135 LYS H H 135 8.036 8.036 7.730 0.306 25439 20988 1 28 . 1 1 136 136 LYS N N 136 116.645 116.645 117.578 -0.933 25439 20989 1 28 . 1 1 136 136 LYS HA H 136 4.362 4.362 4.471 -0.109 25439 20990 1 28 . 1 1 136 136 LYS CA C 136 56.575 56.575 55.139 1.437 25439 20991 1 28 . 1 1 136 136 LYS CB C 136 33.629 33.629 32.337 1.292 25439 20992 1 28 . 1 1 136 136 LYS H H 136 7.682 7.682 7.613 0.069 25439 20993 1 28 . 1 1 137 137 GLY N N 137 109.349 109.349 109.162 0.187 25439 20994 1 28 . 1 1 137 137 GLY CA C 137 46.358 46.358 46.251 0.107 25439 20995 1 28 . 1 1 137 137 GLY H H 137 8.064 8.064 7.799 0.265 25439 20996 1 28 . 1 1 138 138 THR N N 138 112.870 112.870 112.171 0.699 25439 20997 1 28 . 1 1 138 138 THR HA H 138 4.735 4.735 4.649 0.086 25439 20998 1 28 . 1 1 138 138 THR CA C 138 59.308 59.308 60.407 -1.099 25439 20999 1 28 . 1 1 138 138 THR CB C 138 70.755 70.755 70.270 0.484 25439 21000 1 28 . 1 1 138 138 THR H H 138 8.111 8.111 8.129 -0.018 25439 21001 1 28 . 1 1 139 139 GLN N N 139 118.177 118.177 119.173 -0.996 25439 21002 1 28 . 1 1 139 139 GLN HA H 139 4.609 4.609 4.713 -0.104 25439 21003 1 28 . 1 1 139 139 GLN CA C 139 54.435 54.435 55.035 -0.600 25439 21004 1 28 . 1 1 139 139 GLN CB C 139 30.777 30.777 31.171 -0.394 25439 21005 1 28 . 1 1 139 139 GLN H H 139 8.227 8.227 8.297 -0.070 25439 21006 1 28 . 1 1 140 140 VAL N N 140 123.601 123.601 118.699 4.902 25439 21007 1 28 . 1 1 140 140 VAL HA H 140 3.790 3.790 4.355 -0.565 25439 21008 1 28 . 1 1 140 140 VAL CA C 140 63.934 63.934 61.560 2.374 25439 21009 1 28 . 1 1 140 140 VAL CB C 140 32.154 32.154 34.651 -2.497 25439 21010 1 28 . 1 1 140 140 VAL H H 140 8.839 8.839 8.209 0.630 25439 21011 1 28 . 1 1 141 141 SER HA H 141 4.524 4.524 4.577 -0.053 25439 21012 1 28 . 1 1 141 141 SER CA C 141 57.841 57.841 58.665 -0.824 25439 21013 1 28 . 1 1 141 141 SER CB C 141 64.174 64.174 63.630 0.544 25439 21014 1 28 . 1 1 142 142 PHE N N 142 123.726 123.726 125.996 -2.270 25439 21015 1 28 . 1 1 142 142 PHE HA H 142 4.458 4.458 4.739 -0.281 25439 21016 1 28 . 1 1 142 142 PHE CA C 142 58.673 58.673 57.964 0.709 25439 21017 1 28 . 1 1 142 142 PHE CB C 142 40.055 40.055 40.721 -0.666 25439 21018 1 28 . 1 1 142 142 PHE H H 142 7.534 7.534 8.368 -0.834 25439 21019 1 28 . 1 1 143 143 HIS N N 143 126.548 126.548 119.272 7.276 25439 21020 1 28 . 1 1 143 143 HIS HA H 143 4.336 4.336 4.416 -0.080 25439 21021 1 28 . 1 1 143 143 HIS CA C 143 56.837 56.837 56.338 0.499 25439 21022 1 28 . 1 1 143 143 HIS CB C 143 31.949 31.949 31.720 0.229 25439 21023 1 28 . 1 1 143 143 HIS H H 143 8.308 8.308 7.227 1.081 25439 21024 1 28 . 1 1 144 144 GLN N N 144 115.094 115.094 116.009 -0.915 25439 21025 1 28 . 1 1 144 144 GLN HA H 144 4.433 4.433 4.818 -0.385 25439 21026 1 28 . 1 1 144 144 GLN CA C 144 54.210 54.210 53.614 0.596 25439 21027 1 28 . 1 1 144 144 GLN CB C 144 32.925 32.925 31.846 1.079 25439 21028 1 28 . 1 1 144 144 GLN H H 144 7.203 7.203 7.024 0.179 25439 21029 1 28 . 1 1 145 145 CYS N N 145 123.088 123.088 119.159 3.929 25439 21030 1 28 . 1 1 145 145 CYS HA H 145 4.961 4.961 4.898 0.063 25439 21031 1 28 . 1 1 145 145 CYS CA C 145 57.978 57.978 57.218 0.760 25439 21032 1 28 . 1 1 145 145 CYS CB C 145 33.555 33.555 29.746 3.809 25439 21033 1 28 . 1 1 145 145 CYS H H 145 8.668 8.668 8.687 -0.019 25439 21034 1 28 . 1 1 146 146 VAL N N 146 113.265 113.265 121.196 -7.931 25439 21035 1 28 . 1 1 146 146 VAL HA H 146 4.238 4.238 4.256 -0.018 25439 21036 1 28 . 1 1 146 146 VAL CA C 146 64.001 64.001 64.852 -0.851 25439 21037 1 28 . 1 1 146 146 VAL CB C 146 32.157 32.157 32.170 -0.013 25439 21038 1 28 . 1 1 146 146 VAL H H 146 8.198 8.198 8.485 -0.287 25439 21039 1 28 . 1 1 147 147 HIS N N 147 120.556 120.556 117.291 3.265 25439 21040 1 28 . 1 1 147 147 HIS HA H 147 4.604 4.604 4.373 0.231 25439 21041 1 28 . 1 1 147 147 HIS CA C 147 58.708 58.708 58.521 0.187 25439 21042 1 28 . 1 1 147 147 HIS CB C 147 32.204 32.204 29.429 2.775 25439 21043 1 28 . 1 1 147 147 HIS H H 147 7.151 7.151 8.445 -1.294 25439 21044 1 28 . 1 1 148 148 CYS N N 148 112.110 112.110 112.933 -0.823 25439 21045 1 28 . 1 1 148 148 CYS HA H 148 4.889 4.889 4.159 0.730 25439 21046 1 28 . 1 1 148 148 CYS CA C 148 57.952 57.952 55.554 2.398 25439 21047 1 28 . 1 1 148 148 CYS CB C 148 32.956 32.956 30.168 2.788 25439 21048 1 28 . 1 1 148 148 CYS H H 148 7.413 7.413 7.124 0.289 25439 21049 1 28 . 1 1 149 149 GLY N N 149 112.797 112.797 107.948 4.849 25439 21050 1 28 . 1 1 149 149 GLY CA C 149 45.327 45.327 44.457 0.870 25439 21051 1 28 . 1 1 149 149 GLY H H 149 6.949 6.949 8.196 -1.247 25439 21052 1 28 . 1 1 150 150 CYS N N 150 127.277 127.277 120.648 6.629 25439 21053 1 28 . 1 1 150 150 CYS HA H 150 3.932 3.932 4.550 -0.618 25439 21054 1 28 . 1 1 150 150 CYS CA C 150 61.362 61.362 57.216 4.146 25439 21055 1 28 . 1 1 150 150 CYS CB C 150 30.632 30.632 29.627 1.005 25439 21056 1 28 . 1 1 150 150 CYS H H 150 8.240 8.240 7.216 1.024 25439 21057 1 28 . 1 1 151 151 ARG N N 151 125.476 125.476 127.623 -2.147 25439 21058 1 28 . 1 1 151 151 ARG HA H 151 4.775 4.775 4.463 0.312 25439 21059 1 28 . 1 1 151 151 ARG CA C 151 56.164 56.164 54.775 1.389 25439 21060 1 28 . 1 1 151 151 ARG CB C 151 30.354 30.354 28.634 1.720 25439 21061 1 28 . 1 1 151 151 ARG H H 151 8.492 8.492 8.637 -0.145 25439 21062 1 28 . 1 1 152 152 GLY N N 152 117.275 117.275 108.627 8.648 25439 21063 1 28 . 1 1 152 152 GLY CA C 152 45.523 45.523 45.759 -0.236 25439 21064 1 28 . 1 1 152 152 GLY H H 152 9.812 9.812 7.851 1.961 25439 21065 1 28 . 1 1 153 153 CYS N N 153 126.187 126.187 119.224 6.963 25439 21066 1 28 . 1 1 153 153 CYS HA H 153 4.842 4.842 4.789 0.053 25439 21067 1 28 . 1 1 153 153 CYS CA C 153 57.130 57.130 55.638 1.492 25439 21068 1 28 . 1 1 153 153 CYS CB C 153 31.368 31.368 27.247 4.122 25439 21069 1 28 . 1 1 153 153 CYS H H 153 8.930 8.930 8.239 0.691 25439 21070 1 28 . 1 1 154 154 ALA N N 154 125.869 125.869 127.217 -1.348 25439 21071 1 28 . 1 1 154 154 ALA HA H 154 4.159 4.159 5.065 -0.906 25439 21072 1 28 . 1 1 154 154 ALA CA C 154 53.187 53.187 50.978 2.209 25439 21073 1 28 . 1 1 154 154 ALA CB C 154 18.937 18.937 21.120 -2.183 25439 21074 1 28 . 1 1 154 154 ALA H H 154 8.616 8.616 8.564 0.052 25439 21075 1 28 . 1 1 155 155 SER N N 155 116.724 116.724 117.306 -0.582 25439 21076 1 28 . 1 1 155 155 SER HA H 155 4.283 4.283 4.524 -0.241 25439 21077 1 28 . 1 1 155 155 SER CA C 155 60.136 60.136 59.773 0.363 25439 21078 1 28 . 1 1 155 155 SER CB C 155 63.575 63.575 63.948 -0.373 25439 21079 1 28 . 1 1 155 155 SER H H 155 9.358 9.358 8.702 0.656 25439 21080 1 28 . 1 1 156 156 THR N N 156 111.893 111.893 115.990 -4.097 25439 21081 1 28 . 1 1 156 156 THR HA H 156 4.358 4.358 4.484 -0.126 25439 21082 1 28 . 1 1 156 156 THR CA C 156 61.264 61.264 62.541 -1.277 25439 21083 1 28 . 1 1 156 156 THR CB C 156 69.999 69.999 69.008 0.991 25439 21084 1 28 . 1 1 156 156 THR H H 156 7.638 7.638 7.859 -0.221 25439 21085 1 29 . 1 1 0 0 GLY CA C 0 43.750 43.750 44.810 -1.060 25439 21086 1 29 . 1 1 1 1 SER N N 1 117.201 117.201 118.243 -1.042 25439 21087 1 29 . 1 1 1 1 SER HA H 1 4.809 4.809 4.750 0.059 25439 21088 1 29 . 1 1 1 1 SER CA C 1 56.525 56.525 57.319 -0.794 25439 21089 1 29 . 1 1 1 1 SER CB C 1 63.385 63.385 64.602 -1.217 25439 21090 1 29 . 1 1 1 1 SER H H 1 8.381 8.381 8.248 0.133 25439 21091 1 29 . 1 1 2 2 PRO HA H 2 4.468 4.468 4.685 -0.217 25439 21092 1 29 . 1 1 2 2 PRO CA C 2 63.292 63.292 62.989 0.303 25439 21093 1 29 . 1 1 2 2 PRO CB C 2 32.174 32.174 31.889 0.285 25439 21094 1 29 . 1 1 3 3 ARG N N 3 121.649 121.649 124.436 -2.787 25439 21095 1 29 . 1 1 3 3 ARG HA H 3 4.324 4.324 4.733 -0.409 25439 21096 1 29 . 1 1 3 3 ARG CA C 3 56.226 56.226 55.096 1.130 25439 21097 1 29 . 1 1 3 3 ARG CB C 3 30.732 30.732 32.111 -1.379 25439 21098 1 29 . 1 1 3 3 ARG H H 3 8.428 8.428 8.454 -0.026 25439 21099 1 29 . 1 1 4 4 ILE N N 4 122.500 122.500 120.837 1.663 25439 21100 1 29 . 1 1 4 4 ILE HA H 4 4.181 4.181 4.380 -0.199 25439 21101 1 29 . 1 1 4 4 ILE CA C 4 60.943 60.943 60.840 0.103 25439 21102 1 29 . 1 1 4 4 ILE CB C 4 38.751 38.751 39.508 -0.757 25439 21103 1 29 . 1 1 4 4 ILE H H 4 8.165 8.165 8.326 -0.161 25439 21104 1 29 . 1 1 5 5 LYS N N 5 126.237 126.237 125.444 0.793 25439 21105 1 29 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.615 -0.213 25439 21106 1 29 . 1 1 5 5 LYS CA C 5 56.422 56.422 56.517 -0.095 25439 21107 1 29 . 1 1 5 5 LYS CB C 5 33.130 33.130 33.277 -0.147 25439 21108 1 29 . 1 1 5 5 LYS H H 5 8.500 8.500 8.502 -0.002 25439 21109 1 29 . 1 1 6 6 THR N N 6 116.495 116.495 118.921 -2.426 25439 21110 1 29 . 1 1 6 6 THR HA H 6 4.323 4.323 4.436 -0.113 25439 21111 1 29 . 1 1 6 6 THR CA C 6 61.918 61.918 62.568 -0.650 25439 21112 1 29 . 1 1 6 6 THR CB C 6 69.963 69.963 69.002 0.961 25439 21113 1 29 . 1 1 6 6 THR H H 6 8.194 8.194 8.484 -0.290 25439 21114 1 29 . 1 1 7 7 ARG N N 7 124.128 124.128 121.592 2.536 25439 21115 1 29 . 1 1 7 7 ARG HA H 7 4.396 4.396 4.603 -0.207 25439 21116 1 29 . 1 1 7 7 ARG CA C 7 56.128 56.128 56.227 -0.099 25439 21117 1 29 . 1 1 7 7 ARG CB C 7 30.953 30.953 31.561 -0.608 25439 21118 1 29 . 1 1 7 7 ARG H H 7 8.458 8.458 8.004 0.454 25439 21119 1 29 . 1 1 8 8 ARG N N 8 123.384 123.384 122.990 0.394 25439 21120 1 29 . 1 1 8 8 ARG HA H 8 4.424 4.424 4.609 -0.185 25439 21121 1 29 . 1 1 8 8 ARG CA C 8 56.011 56.011 56.181 -0.170 25439 21122 1 29 . 1 1 8 8 ARG CB C 8 31.058 31.058 32.395 -1.337 25439 21123 1 29 . 1 1 8 8 ARG H H 8 8.526 8.526 8.740 -0.214 25439 21124 1 29 . 1 1 9 9 SER N N 9 118.446 118.446 118.164 0.282 25439 21125 1 29 . 1 1 9 9 SER HA H 9 4.473 4.473 4.486 -0.013 25439 21126 1 29 . 1 1 9 9 SER CA C 9 58.568 58.568 58.740 -0.172 25439 21127 1 29 . 1 1 9 9 SER CB C 9 63.986 63.986 64.056 -0.070 25439 21128 1 29 . 1 1 9 9 SER H H 9 8.450 8.450 8.746 -0.296 25439 21129 1 29 . 1 1 10 10 LYS N N 10 124.117 124.117 123.442 0.675 25439 21130 1 29 . 1 1 10 10 LYS HA H 10 4.673 4.673 4.971 -0.298 25439 21131 1 29 . 1 1 10 10 LYS CA C 10 54.412 54.412 54.069 0.343 25439 21132 1 29 . 1 1 10 10 LYS CB C 10 32.693 32.693 33.992 -1.299 25439 21133 1 29 . 1 1 10 10 LYS H H 10 8.426 8.426 8.312 0.114 25439 21134 1 29 . 1 1 11 11 PRO HA H 11 4.360 4.360 4.468 -0.108 25439 21135 1 29 . 1 1 11 11 PRO CA C 11 62.861 62.861 62.809 0.052 25439 21136 1 29 . 1 1 11 11 PRO CB C 11 32.106 32.106 32.667 -0.561 25439 21137 1 29 . 1 1 12 12 ALA N N 12 124.420 124.420 122.974 1.446 25439 21138 1 29 . 1 1 12 12 ALA HA H 12 2.889 2.889 3.432 -0.543 25439 21139 1 29 . 1 1 12 12 ALA CA C 12 49.735 49.735 48.555 1.180 25439 21140 1 29 . 1 1 12 12 ALA CB C 12 18.066 18.066 17.553 0.513 25439 21141 1 29 . 1 1 12 12 ALA H H 12 7.890 7.890 7.758 0.132 25439 21142 1 29 . 1 1 13 13 PRO HA H 13 4.207 4.207 4.474 -0.267 25439 21143 1 29 . 1 1 13 13 PRO CA C 13 62.111 62.111 61.985 0.126 25439 21144 1 29 . 1 1 13 13 PRO CB C 13 32.582 32.582 32.244 0.338 25439 21145 1 29 . 1 1 14 14 ASP N N 14 119.535 119.535 120.659 -1.124 25439 21146 1 29 . 1 1 14 14 ASP HA H 14 4.379 4.379 4.295 0.084 25439 21147 1 29 . 1 1 14 14 ASP CA C 14 56.427 56.427 57.885 -1.458 25439 21148 1 29 . 1 1 14 14 ASP CB C 14 41.177 41.177 40.386 0.791 25439 21149 1 29 . 1 1 14 14 ASP H H 14 8.206 8.206 8.639 -0.433 25439 21150 1 29 . 1 1 15 15 GLY N N 15 113.273 113.273 108.115 5.158 25439 21151 1 29 . 1 1 15 15 GLY CA C 15 45.146 45.146 46.770 -1.623 25439 21152 1 29 . 1 1 15 15 GLY H H 15 8.723 8.723 8.451 0.272 25439 21153 1 29 . 1 1 16 16 PHE N N 16 123.113 123.113 122.719 0.394 25439 21154 1 29 . 1 1 16 16 PHE HA H 16 4.125 4.125 4.273 -0.148 25439 21155 1 29 . 1 1 16 16 PHE CA C 16 60.715 60.715 59.406 1.309 25439 21156 1 29 . 1 1 16 16 PHE CB C 16 39.639 39.639 39.103 0.536 25439 21157 1 29 . 1 1 16 16 PHE H H 16 8.127 8.127 8.335 -0.208 25439 21158 1 29 . 1 1 17 17 GLU N N 17 115.695 115.695 119.373 -3.678 25439 21159 1 29 . 1 1 17 17 GLU HA H 17 3.768 3.768 3.814 -0.046 25439 21160 1 29 . 1 1 17 17 GLU CA C 17 59.234 59.234 59.367 -0.133 25439 21161 1 29 . 1 1 17 17 GLU CB C 17 28.495 28.495 29.355 -0.860 25439 21162 1 29 . 1 1 17 17 GLU H H 17 9.088 9.088 8.200 0.888 25439 21163 1 29 . 1 1 18 18 LYS N N 18 115.887 115.887 117.144 -1.257 25439 21164 1 29 . 1 1 18 18 LYS HA H 18 4.165 4.165 4.070 0.095 25439 21165 1 29 . 1 1 18 18 LYS CA C 18 58.249 58.249 58.802 -0.553 25439 21166 1 29 . 1 1 18 18 LYS CB C 18 32.725 32.725 32.950 -0.226 25439 21167 1 29 . 1 1 18 18 LYS H H 18 7.285 7.285 7.781 -0.496 25439 21168 1 29 . 1 1 19 19 ILE N N 19 110.277 110.277 110.825 -0.548 25439 21169 1 29 . 1 1 19 19 ILE HA H 19 4.722 4.722 4.738 -0.016 25439 21170 1 29 . 1 1 19 19 ILE CA C 19 61.093 61.093 59.788 1.305 25439 21171 1 29 . 1 1 19 19 ILE CB C 19 39.139 39.139 38.256 0.883 25439 21172 1 29 . 1 1 19 19 ILE H H 19 7.031 7.031 7.518 -0.487 25439 21173 1 29 . 1 1 20 20 LYS N N 20 124.540 124.540 122.610 1.930 25439 21174 1 29 . 1 1 20 20 LYS HA H 20 3.603 3.603 3.851 -0.248 25439 21175 1 29 . 1 1 20 20 LYS CA C 20 60.917 60.917 59.889 1.028 25439 21176 1 29 . 1 1 20 20 LYS CB C 20 30.210 30.210 30.461 -0.251 25439 21177 1 29 . 1 1 20 20 LYS H H 20 7.666 7.666 7.490 0.176 25439 21178 1 29 . 1 1 21 21 PRO HA H 21 4.292 4.292 4.573 -0.281 25439 21179 1 29 . 1 1 21 21 PRO CA C 21 66.990 66.990 65.353 1.637 25439 21180 1 29 . 1 1 21 21 PRO CB C 21 30.779 30.779 31.548 -0.769 25439 21181 1 29 . 1 1 22 22 THR N N 22 114.917 114.917 115.065 -0.148 25439 21182 1 29 . 1 1 22 22 THR HA H 22 3.866 3.866 4.035 -0.169 25439 21183 1 29 . 1 1 22 22 THR CA C 22 66.575 66.575 66.394 0.181 25439 21184 1 29 . 1 1 22 22 THR CB C 22 68.731 68.731 68.529 0.202 25439 21185 1 29 . 1 1 22 22 THR H H 22 7.331 7.331 8.255 -0.924 25439 21186 1 29 . 1 1 23 23 LEU N N 23 120.152 120.152 120.481 -0.329 25439 21187 1 29 . 1 1 23 23 LEU HA H 23 4.397 4.397 4.146 0.251 25439 21188 1 29 . 1 1 23 23 LEU CA C 23 58.740 58.740 57.834 0.906 25439 21189 1 29 . 1 1 23 23 LEU CB C 23 40.489 40.489 41.902 -1.413 25439 21190 1 29 . 1 1 23 23 LEU H H 23 7.991 7.991 7.659 0.332 25439 21191 1 29 . 1 1 24 24 THR N N 24 119.365 119.365 116.413 2.952 25439 21192 1 29 . 1 1 24 24 THR HA H 24 4.095 4.095 3.903 0.192 25439 21193 1 29 . 1 1 24 24 THR CA C 24 66.834 66.834 66.955 -0.121 25439 21194 1 29 . 1 1 24 24 THR CB C 24 68.614 68.614 68.367 0.247 25439 21195 1 29 . 1 1 24 24 THR H H 24 9.175 9.175 7.519 1.656 25439 21196 1 29 . 1 1 25 25 ASP N N 25 122.865 122.865 122.018 0.847 25439 21197 1 29 . 1 1 25 25 ASP HA H 25 4.483 4.483 4.340 0.143 25439 21198 1 29 . 1 1 25 25 ASP CA C 25 58.158 58.158 58.087 0.071 25439 21199 1 29 . 1 1 25 25 ASP CB C 25 40.329 40.329 40.442 -0.113 25439 21200 1 29 . 1 1 25 25 ASP H H 25 7.714 7.714 7.818 -0.104 25439 21201 1 29 . 1 1 26 26 PHE N N 26 116.182 116.182 118.403 -2.221 25439 21202 1 29 . 1 1 26 26 PHE HA H 26 4.457 4.457 4.146 0.311 25439 21203 1 29 . 1 1 26 26 PHE CA C 26 62.531 62.531 61.864 0.667 25439 21204 1 29 . 1 1 26 26 PHE CB C 26 39.468 39.468 38.944 0.524 25439 21205 1 29 . 1 1 26 26 PHE H H 26 7.816 7.816 7.813 0.003 25439 21206 1 29 . 1 1 27 27 GLU N N 27 120.107 120.107 118.883 1.224 25439 21207 1 29 . 1 1 27 27 GLU HA H 27 4.113 4.113 4.040 0.072 25439 21208 1 29 . 1 1 27 27 GLU CA C 27 59.852 59.852 59.715 0.137 25439 21209 1 29 . 1 1 27 27 GLU CB C 27 29.692 29.692 29.091 0.601 25439 21210 1 29 . 1 1 27 27 GLU H H 27 8.068 8.068 7.936 0.132 25439 21211 1 29 . 1 1 28 28 ILE N N 28 121.494 121.494 120.131 1.363 25439 21212 1 29 . 1 1 28 28 ILE HA H 28 3.718 3.718 3.760 -0.042 25439 21213 1 29 . 1 1 28 28 ILE CA C 28 65.002 65.002 64.798 0.204 25439 21214 1 29 . 1 1 28 28 ILE CB C 28 38.023 38.023 38.012 0.011 25439 21215 1 29 . 1 1 28 28 ILE H H 28 8.531 8.531 7.507 1.024 25439 21216 1 29 . 1 1 29 29 GLN N N 29 118.941 118.941 119.984 -1.043 25439 21217 1 29 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.057 0.123 25439 21218 1 29 . 1 1 29 29 GLN CA C 29 59.507 59.507 58.695 0.812 25439 21219 1 29 . 1 1 29 29 GLN CB C 29 29.783 29.783 28.652 1.131 25439 21220 1 29 . 1 1 29 29 GLN H H 29 8.117 8.117 7.452 0.665 25439 21221 1 29 . 1 1 30 30 LEU N N 30 121.724 121.724 121.078 0.646 25439 21222 1 29 . 1 1 30 30 LEU HA H 30 4.032 4.032 4.001 0.031 25439 21223 1 29 . 1 1 30 30 LEU CA C 30 58.333 58.333 58.355 -0.022 25439 21224 1 29 . 1 1 30 30 LEU CB C 30 42.339 42.339 41.925 0.414 25439 21225 1 29 . 1 1 30 30 LEU H H 30 8.677 8.677 8.772 -0.095 25439 21226 1 29 . 1 1 31 31 ARG N N 31 120.629 120.629 118.792 1.837 25439 21227 1 29 . 1 1 31 31 ARG HA H 31 4.105 4.105 3.885 0.220 25439 21228 1 29 . 1 1 31 31 ARG CA C 31 59.340 59.340 60.251 -0.911 25439 21229 1 29 . 1 1 31 31 ARG CB C 31 30.044 30.044 29.704 0.340 25439 21230 1 29 . 1 1 31 31 ARG H H 31 8.227 8.227 8.358 -0.131 25439 21231 1 29 . 1 1 32 32 ASP N N 32 120.233 120.233 120.210 0.023 25439 21232 1 29 . 1 1 32 32 ASP HA H 32 4.484 4.484 4.360 0.124 25439 21233 1 29 . 1 1 32 32 ASP CA C 32 57.199 57.199 58.027 -0.828 25439 21234 1 29 . 1 1 32 32 ASP CB C 32 40.202 40.202 40.363 -0.161 25439 21235 1 29 . 1 1 32 32 ASP H H 32 8.407 8.407 7.705 0.702 25439 21236 1 29 . 1 1 33 33 ALA N N 33 121.939 121.939 122.182 -0.243 25439 21237 1 29 . 1 1 33 33 ALA HA H 33 4.321 4.321 3.886 0.435 25439 21238 1 29 . 1 1 33 33 ALA CA C 33 54.207 54.207 55.276 -1.069 25439 21239 1 29 . 1 1 33 33 ALA CB C 33 18.738 18.738 18.416 0.322 25439 21240 1 29 . 1 1 33 33 ALA H H 33 8.057 8.057 7.491 0.566 25439 21241 1 29 . 1 1 34 34 GLN N N 34 114.736 114.736 116.821 -2.085 25439 21242 1 29 . 1 1 34 34 GLN HA H 34 4.248 4.248 4.026 0.222 25439 21243 1 29 . 1 1 34 34 GLN CA C 34 56.567 56.567 58.857 -2.290 25439 21244 1 29 . 1 1 34 34 GLN CB C 34 29.743 29.743 28.517 1.226 25439 21245 1 29 . 1 1 34 34 GLN H H 34 7.746 7.746 8.598 -0.852 25439 21246 1 29 . 1 1 35 35 LYS N N 35 120.534 120.534 119.004 1.530 25439 21247 1 29 . 1 1 35 35 LYS HA H 35 4.232 4.232 4.268 -0.036 25439 21248 1 29 . 1 1 35 35 LYS CA C 35 57.427 57.427 58.414 -0.987 25439 21249 1 29 . 1 1 35 35 LYS CB C 35 32.887 32.887 32.527 0.360 25439 21250 1 29 . 1 1 35 35 LYS H H 35 7.570 7.570 7.988 -0.418 25439 21251 1 29 . 1 1 36 36 ASP N N 36 120.943 120.943 120.757 0.186 25439 21252 1 29 . 1 1 36 36 ASP HA H 36 4.595 4.595 4.318 0.277 25439 21253 1 29 . 1 1 36 36 ASP CA C 36 54.983 54.983 57.801 -2.818 25439 21254 1 29 . 1 1 36 36 ASP CB C 36 41.129 41.129 40.932 0.197 25439 21255 1 29 . 1 1 36 36 ASP H H 36 8.375 8.375 8.667 -0.292 25439 21256 1 29 . 1 1 37 37 LYS N N 37 122.598 122.598 117.480 5.118 25439 21257 1 29 . 1 1 37 37 LYS HA H 37 4.365 4.365 4.535 -0.170 25439 21258 1 29 . 1 1 37 37 LYS CA C 37 56.725 56.725 57.003 -0.278 25439 21259 1 29 . 1 1 37 37 LYS CB C 37 32.823 32.823 32.684 0.139 25439 21260 1 29 . 1 1 37 37 LYS H H 37 8.446 8.446 7.657 0.789 25439 21261 1 29 . 1 1 38 38 SER N N 38 115.849 115.849 113.711 2.138 25439 21262 1 29 . 1 1 38 38 SER HA H 38 4.423 4.423 4.289 0.134 25439 21263 1 29 . 1 1 38 38 SER CA C 38 59.193 59.193 60.612 -1.419 25439 21264 1 29 . 1 1 38 38 SER CB C 38 63.744 63.744 63.716 0.028 25439 21265 1 29 . 1 1 38 38 SER H H 38 8.392 8.392 7.899 0.493 25439 21266 1 29 . 1 1 39 39 SER N N 39 117.258 117.258 114.794 2.464 25439 21267 1 29 . 1 1 39 39 SER HA H 39 4.445 4.445 4.474 -0.029 25439 21268 1 29 . 1 1 39 39 SER CA C 39 58.933 58.933 59.576 -0.643 25439 21269 1 29 . 1 1 39 39 SER CB C 39 63.711 63.711 64.254 -0.543 25439 21270 1 29 . 1 1 39 39 SER H H 39 8.283 8.283 7.824 0.459 25439 21271 1 29 . 1 1 40 40 LYS N N 40 122.427 122.427 123.330 -0.903 25439 21272 1 29 . 1 1 40 40 LYS HA H 40 4.321 4.321 4.513 -0.192 25439 21273 1 29 . 1 1 40 40 LYS CA C 40 56.847 56.847 55.557 1.290 25439 21274 1 29 . 1 1 40 40 LYS CB C 40 32.764 32.764 33.210 -0.446 25439 21275 1 29 . 1 1 40 40 LYS H H 40 8.263 8.263 7.472 0.791 25439 21276 1 29 . 1 1 41 41 LEU N N 41 121.281 121.281 127.523 -6.242 25439 21277 1 29 . 1 1 41 41 LEU HA H 41 4.308 4.308 4.823 -0.515 25439 21278 1 29 . 1 1 41 41 LEU CA C 41 55.335 55.335 54.936 0.399 25439 21279 1 29 . 1 1 41 41 LEU CB C 41 42.212 42.212 42.337 -0.125 25439 21280 1 29 . 1 1 41 41 LEU H H 41 8.068 8.068 8.921 -0.853 25439 21281 1 29 . 1 1 42 42 ALA N N 42 123.964 123.964 122.370 1.594 25439 21282 1 29 . 1 1 42 42 ALA HA H 42 4.274 4.274 4.422 -0.148 25439 21283 1 29 . 1 1 42 42 ALA CA C 42 52.851 52.851 52.492 0.359 25439 21284 1 29 . 1 1 42 42 ALA CB C 42 19.135 19.135 19.503 -0.368 25439 21285 1 29 . 1 1 42 42 ALA H H 42 8.111 8.111 8.196 -0.085 25439 21286 1 29 . 1 1 43 43 ALA N N 43 122.146 122.146 121.674 0.472 25439 21287 1 29 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.521 -0.224 25439 21288 1 29 . 1 1 43 43 ALA CA C 43 52.727 52.727 51.527 1.200 25439 21289 1 29 . 1 1 43 43 ALA CB C 43 19.318 19.318 19.880 -0.562 25439 21290 1 29 . 1 1 43 43 ALA H H 43 8.101 8.101 7.727 0.374 25439 21291 1 29 . 1 1 44 44 LYS N N 44 119.454 119.454 120.397 -0.943 25439 21292 1 29 . 1 1 44 44 LYS HA H 44 4.349 4.349 3.911 0.438 25439 21293 1 29 . 1 1 44 44 LYS CA C 44 56.267 56.267 56.777 -0.510 25439 21294 1 29 . 1 1 44 44 LYS CB C 44 32.825 32.825 30.690 2.135 25439 21295 1 29 . 1 1 44 44 LYS H H 44 8.198 8.198 8.646 -0.448 25439 21296 1 29 . 1 1 45 45 SER N N 45 116.660 116.660 113.529 3.131 25439 21297 1 29 . 1 1 45 45 SER HA H 45 4.368 4.368 4.278 0.090 25439 21298 1 29 . 1 1 45 45 SER CA C 45 58.477 58.477 59.055 -0.578 25439 21299 1 29 . 1 1 45 45 SER CB C 45 64.063 64.063 64.383 -0.320 25439 21300 1 29 . 1 1 45 45 SER H H 45 8.251 8.251 8.400 -0.149 25439 21301 1 29 . 1 1 46 46 ASN N N 46 120.516 120.516 120.649 -0.133 25439 21302 1 29 . 1 1 46 46 ASN HA H 46 4.361 4.361 4.266 0.095 25439 21303 1 29 . 1 1 46 46 ASN CA C 46 54.657 54.657 56.286 -1.629 25439 21304 1 29 . 1 1 46 46 ASN CB C 46 37.649 37.649 37.959 -0.310 25439 21305 1 29 . 1 1 46 46 ASN H H 46 8.498 8.498 8.593 -0.095 25439 21306 1 29 . 1 1 47 47 GLU N N 47 117.964 117.964 117.812 0.152 25439 21307 1 29 . 1 1 47 47 GLU HA H 47 3.350 3.350 3.016 0.334 25439 21308 1 29 . 1 1 47 47 GLU CA C 47 59.213 59.213 58.813 0.400 25439 21309 1 29 . 1 1 47 47 GLU CB C 47 28.998 28.998 28.888 0.110 25439 21310 1 29 . 1 1 47 47 GLU H H 47 8.016 8.016 8.211 -0.195 25439 21311 1 29 . 1 1 48 48 GLN N N 48 119.468 119.468 119.301 0.167 25439 21312 1 29 . 1 1 48 48 GLN HA H 48 4.250 4.250 4.052 0.198 25439 21313 1 29 . 1 1 48 48 GLN CA C 48 58.529 58.529 58.336 0.193 25439 21314 1 29 . 1 1 48 48 GLN CB C 48 28.902 28.902 27.917 0.985 25439 21315 1 29 . 1 1 48 48 GLN H H 48 7.892 7.892 7.260 0.632 25439 21316 1 29 . 1 1 49 49 LEU N N 49 120.145 120.145 119.717 0.428 25439 21317 1 29 . 1 1 49 49 LEU HA H 49 4.232 4.232 3.995 0.237 25439 21318 1 29 . 1 1 49 49 LEU CA C 49 57.479 57.479 57.596 -0.117 25439 21319 1 29 . 1 1 49 49 LEU CB C 49 41.391 41.391 41.543 -0.152 25439 21320 1 29 . 1 1 49 49 LEU H H 49 7.699 7.699 7.421 0.278 25439 21321 1 29 . 1 1 50 50 TRP N N 50 119.596 119.596 117.316 2.280 25439 21322 1 29 . 1 1 50 50 TRP HA H 50 4.520 4.520 4.442 0.078 25439 21323 1 29 . 1 1 50 50 TRP CA C 50 58.353 58.353 58.006 0.347 25439 21324 1 29 . 1 1 50 50 TRP CB C 50 28.880 28.880 28.177 0.703 25439 21325 1 29 . 1 1 50 50 TRP H H 50 8.385 8.385 7.704 0.681 25439 21326 1 29 . 1 1 51 51 GLU N N 51 119.362 119.362 119.599 -0.237 25439 21327 1 29 . 1 1 51 51 GLU HA H 51 4.145 4.145 4.159 -0.014 25439 21328 1 29 . 1 1 51 51 GLU CA C 51 60.035 60.035 59.517 0.518 25439 21329 1 29 . 1 1 51 51 GLU CB C 51 29.675 29.675 29.370 0.305 25439 21330 1 29 . 1 1 51 51 GLU H H 51 8.223 8.223 7.835 0.388 25439 21331 1 29 . 1 1 52 52 ILE N N 52 119.018 119.018 119.463 -0.445 25439 21332 1 29 . 1 1 52 52 ILE HA H 52 3.673 3.673 3.759 -0.086 25439 21333 1 29 . 1 1 52 52 ILE CA C 52 65.511 65.511 65.156 0.355 25439 21334 1 29 . 1 1 52 52 ILE CB C 52 38.532 38.532 38.085 0.447 25439 21335 1 29 . 1 1 52 52 ILE H H 52 7.801 7.801 7.442 0.359 25439 21336 1 29 . 1 1 53 53 MET N N 53 118.133 118.133 117.480 0.653 25439 21337 1 29 . 1 1 53 53 MET HA H 53 4.452 4.452 4.062 0.390 25439 21338 1 29 . 1 1 53 53 MET CA C 53 58.216 58.216 58.248 -0.032 25439 21339 1 29 . 1 1 53 53 MET CB C 53 31.838 31.838 31.603 0.235 25439 21340 1 29 . 1 1 53 53 MET H H 53 8.411 8.411 7.926 0.485 25439 21341 1 29 . 1 1 54 54 GLN N N 54 120.855 120.855 118.254 2.601 25439 21342 1 29 . 1 1 54 54 GLN HA H 54 4.333 4.333 3.985 0.348 25439 21343 1 29 . 1 1 54 54 GLN CA C 54 59.004 59.004 59.215 -0.211 25439 21344 1 29 . 1 1 54 54 GLN CB C 54 27.824 27.824 28.704 -0.880 25439 21345 1 29 . 1 1 54 54 GLN H H 54 8.860 8.860 8.165 0.695 25439 21346 1 29 . 1 1 55 55 LEU N N 55 122.788 122.788 119.036 3.752 25439 21347 1 29 . 1 1 55 55 LEU HA H 55 4.302 4.302 4.252 0.050 25439 21348 1 29 . 1 1 55 55 LEU CA C 55 58.685 58.685 57.681 1.004 25439 21349 1 29 . 1 1 55 55 LEU CB C 55 42.695 42.695 41.794 0.901 25439 21350 1 29 . 1 1 55 55 LEU H H 55 8.298 8.298 7.798 0.500 25439 21351 1 29 . 1 1 56 56 HIS N N 56 118.426 118.426 118.178 0.248 25439 21352 1 29 . 1 1 56 56 HIS HA H 56 4.317 4.317 4.151 0.166 25439 21353 1 29 . 1 1 56 56 HIS CA C 56 60.732 60.732 59.913 0.819 25439 21354 1 29 . 1 1 56 56 HIS CB C 56 30.530 30.530 29.503 1.027 25439 21355 1 29 . 1 1 56 56 HIS H H 56 8.416 8.416 7.889 0.527 25439 21356 1 29 . 1 1 57 57 HIS N N 57 121.197 121.197 119.516 1.681 25439 21357 1 29 . 1 1 57 57 HIS HA H 57 4.318 4.318 4.448 -0.130 25439 21358 1 29 . 1 1 57 57 HIS CA C 57 60.739 60.739 58.586 2.153 25439 21359 1 29 . 1 1 57 57 HIS CB C 57 28.726 28.726 30.090 -1.364 25439 21360 1 29 . 1 1 57 57 HIS H H 57 8.608 8.608 7.996 0.612 25439 21361 1 29 . 1 1 58 58 GLN N N 58 118.739 118.739 118.692 0.047 25439 21362 1 29 . 1 1 58 58 GLN HA H 58 4.202 4.202 4.142 0.060 25439 21363 1 29 . 1 1 58 58 GLN CA C 58 59.507 59.507 59.239 0.268 25439 21364 1 29 . 1 1 58 58 GLN CB C 58 29.111 29.111 28.506 0.605 25439 21365 1 29 . 1 1 58 58 GLN H H 58 9.206 9.206 8.115 1.091 25439 21366 1 29 . 1 1 59 59 ARG N N 59 122.498 122.498 119.545 2.953 25439 21367 1 29 . 1 1 59 59 ARG HA H 59 3.437 3.437 3.851 -0.414 25439 21368 1 29 . 1 1 59 59 ARG CA C 59 60.361 60.361 58.766 1.595 25439 21369 1 29 . 1 1 59 59 ARG H H 59 8.623 8.623 8.344 0.279 25439 21370 1 29 . 1 1 60 60 SER N N 60 114.930 114.930 115.011 -0.081 25439 21371 1 29 . 1 1 60 60 SER HA H 60 4.515 4.515 4.265 0.250 25439 21372 1 29 . 1 1 60 60 SER CA C 60 64.832 64.832 61.512 3.320 25439 21373 1 29 . 1 1 60 60 SER CB C 60 63.583 63.583 63.016 0.567 25439 21374 1 29 . 1 1 60 60 SER H H 60 7.993 7.993 8.519 -0.526 25439 21375 1 29 . 1 1 61 61 ARG N N 61 124.417 124.417 122.756 1.661 25439 21376 1 29 . 1 1 61 61 ARG HA H 61 4.204 4.204 4.191 0.013 25439 21377 1 29 . 1 1 61 61 ARG CA C 61 58.852 58.852 59.625 -0.773 25439 21378 1 29 . 1 1 61 61 ARG CB C 61 29.077 29.077 30.298 -1.221 25439 21379 1 29 . 1 1 61 61 ARG H H 61 9.569 9.569 8.593 0.976 25439 21380 1 29 . 1 1 62 62 TYR N N 62 124.484 124.484 121.318 3.166 25439 21381 1 29 . 1 1 62 62 TYR HA H 62 4.676 4.676 4.305 0.371 25439 21382 1 29 . 1 1 62 62 TYR CA C 62 61.006 61.006 62.339 -1.333 25439 21383 1 29 . 1 1 62 62 TYR CB C 62 38.392 38.392 38.699 -0.307 25439 21384 1 29 . 1 1 62 62 TYR H H 62 8.622 8.622 8.509 0.113 25439 21385 1 29 . 1 1 63 63 ILE N N 63 119.789 119.789 118.969 0.820 25439 21386 1 29 . 1 1 63 63 ILE HA H 63 3.492 3.492 3.777 -0.285 25439 21387 1 29 . 1 1 63 63 ILE CA C 63 65.693 65.693 65.519 0.174 25439 21388 1 29 . 1 1 63 63 ILE CB C 63 38.023 38.023 38.308 -0.285 25439 21389 1 29 . 1 1 63 63 ILE H H 63 7.588 7.588 8.178 -0.590 25439 21390 1 29 . 1 1 64 64 TYR N N 64 120.485 120.485 121.299 -0.814 25439 21391 1 29 . 1 1 64 64 TYR HA H 64 4.577 4.577 4.347 0.230 25439 21392 1 29 . 1 1 64 64 TYR CA C 64 61.759 61.759 61.975 -0.216 25439 21393 1 29 . 1 1 64 64 TYR CB C 64 39.772 39.772 38.494 1.278 25439 21394 1 29 . 1 1 64 64 TYR H H 64 9.166 9.166 9.243 -0.077 25439 21395 1 29 . 1 1 65 65 THR N N 65 117.072 117.072 116.510 0.562 25439 21396 1 29 . 1 1 65 65 THR HA H 65 3.562 3.562 3.931 -0.369 25439 21397 1 29 . 1 1 65 65 THR CA C 65 67.016 67.016 66.715 0.301 25439 21398 1 29 . 1 1 65 65 THR CB C 65 68.711 68.711 68.725 -0.015 25439 21399 1 29 . 1 1 65 65 THR H H 65 8.987 8.987 8.754 0.233 25439 21400 1 29 . 1 1 66 66 LEU N N 66 122.107 122.107 120.937 1.170 25439 21401 1 29 . 1 1 66 66 LEU HA H 66 3.782 3.782 4.261 -0.479 25439 21402 1 29 . 1 1 66 66 LEU CA C 66 58.476 58.476 58.043 0.433 25439 21403 1 29 . 1 1 66 66 LEU CB C 66 43.183 43.183 40.881 2.302 25439 21404 1 29 . 1 1 66 66 LEU H H 66 8.286 8.286 7.669 0.617 25439 21405 1 29 . 1 1 67 67 TYR N N 67 115.264 115.264 119.460 -4.196 25439 21406 1 29 . 1 1 67 67 TYR HA H 67 4.344 4.344 4.069 0.275 25439 21407 1 29 . 1 1 67 67 TYR CA C 67 60.830 60.830 61.670 -0.840 25439 21408 1 29 . 1 1 67 67 TYR CB C 67 40.376 40.376 39.389 0.987 25439 21409 1 29 . 1 1 67 67 TYR H H 67 7.983 7.983 8.255 -0.273 25439 21410 1 29 . 1 1 68 68 TYR N N 68 113.945 113.945 115.746 -1.801 25439 21411 1 29 . 1 1 68 68 TYR HA H 68 3.699 3.699 4.192 -0.493 25439 21412 1 29 . 1 1 68 68 TYR CA C 68 62.030 62.030 60.884 1.146 25439 21413 1 29 . 1 1 68 68 TYR CB C 68 38.046 38.046 38.919 -0.873 25439 21414 1 29 . 1 1 68 68 TYR H H 68 8.297 8.297 7.741 0.556 25439 21415 1 29 . 1 1 69 69 LYS N N 69 114.346 114.346 118.405 -4.059 25439 21416 1 29 . 1 1 69 69 LYS HA H 69 4.564 4.564 4.345 0.219 25439 21417 1 29 . 1 1 69 69 LYS CA C 69 56.821 56.821 57.008 -0.187 25439 21418 1 29 . 1 1 69 69 LYS CB C 69 31.980 31.980 33.097 -1.117 25439 21419 1 29 . 1 1 69 69 LYS H H 69 7.084 7.084 7.427 -0.343 25439 21420 1 29 . 1 1 70 70 ARG N N 70 114.676 114.676 118.556 -3.880 25439 21421 1 29 . 1 1 70 70 ARG HA H 70 4.251 4.251 4.074 0.177 25439 21422 1 29 . 1 1 70 70 ARG CA C 70 56.314 56.314 56.962 -0.648 25439 21423 1 29 . 1 1 70 70 ARG CB C 70 31.128 31.128 30.318 0.810 25439 21424 1 29 . 1 1 70 70 ARG H H 70 8.178 8.178 8.099 0.079 25439 21425 1 29 . 1 1 71 71 LYS N N 71 115.371 115.371 114.971 0.400 25439 21426 1 29 . 1 1 71 71 LYS HA H 71 4.036 4.036 3.759 0.277 25439 21427 1 29 . 1 1 71 71 LYS CA C 71 57.121 57.121 57.312 -0.191 25439 21428 1 29 . 1 1 71 71 LYS CB C 71 28.897 28.897 30.047 -1.150 25439 21429 1 29 . 1 1 71 71 LYS H H 71 6.843 6.843 7.780 -0.937 25439 21430 1 29 . 1 1 72 72 ALA N N 72 117.701 117.701 120.907 -3.206 25439 21431 1 29 . 1 1 72 72 ALA HA H 72 4.395 4.395 4.439 -0.044 25439 21432 1 29 . 1 1 72 72 ALA CA C 72 52.597 52.597 51.849 0.749 25439 21433 1 29 . 1 1 72 72 ALA CB C 72 21.560 21.560 19.851 1.709 25439 21434 1 29 . 1 1 72 72 ALA H H 72 8.560 8.560 7.571 0.989 25439 21435 1 29 . 1 1 73 73 ILE N N 73 107.605 107.605 117.184 -9.579 25439 21436 1 29 . 1 1 73 73 ILE CB C 73 42.724 42.724 41.248 1.476 25439 21437 1 29 . 1 1 73 73 ILE H H 73 7.074 7.074 7.466 -0.392 25439 21438 1 29 . 1 1 74 74 SER N N 74 118.425 118.425 117.958 0.467 25439 21439 1 29 . 1 1 74 74 SER HA H 74 4.484 4.484 4.901 -0.417 25439 21440 1 29 . 1 1 74 74 SER CA C 74 57.082 57.082 56.846 0.235 25439 21441 1 29 . 1 1 74 74 SER CB C 74 65.396 65.396 64.976 0.420 25439 21442 1 29 . 1 1 74 74 SER H H 74 8.797 8.797 8.519 0.278 25439 21443 1 29 . 1 1 75 75 LYS N N 75 121.891 121.891 125.154 -3.263 25439 21444 1 29 . 1 1 75 75 LYS HA H 75 3.851 3.851 4.219 -0.368 25439 21445 1 29 . 1 1 75 75 LYS CA C 75 59.624 59.624 60.071 -0.447 25439 21446 1 29 . 1 1 75 75 LYS CB C 75 32.368 32.368 32.468 -0.100 25439 21447 1 29 . 1 1 75 75 LYS H H 75 9.024 9.024 9.157 -0.133 25439 21448 1 29 . 1 1 76 76 ASP N N 76 115.908 115.908 118.541 -2.633 25439 21449 1 29 . 1 1 76 76 ASP HA H 76 4.423 4.423 4.402 0.021 25439 21450 1 29 . 1 1 76 76 ASP CA C 76 57.362 57.362 57.587 -0.225 25439 21451 1 29 . 1 1 76 76 ASP CB C 76 40.391 40.391 40.376 0.015 25439 21452 1 29 . 1 1 76 76 ASP H H 76 8.161 8.161 8.551 -0.390 25439 21453 1 29 . 1 1 77 77 LEU N N 77 121.705 121.705 121.459 0.246 25439 21454 1 29 . 1 1 77 77 LEU HA H 77 4.180 4.180 4.138 0.042 25439 21455 1 29 . 1 1 77 77 LEU CA C 77 57.818 57.818 57.807 0.011 25439 21456 1 29 . 1 1 77 77 LEU H H 77 8.345 8.345 7.755 0.590 25439 21457 1 29 . 1 1 78 78 TYR N N 78 121.511 121.511 119.985 1.526 25439 21458 1 29 . 1 1 78 78 TYR HA H 78 3.789 3.789 4.028 -0.239 25439 21459 1 29 . 1 1 78 78 TYR CA C 78 62.857 62.857 60.543 2.314 25439 21460 1 29 . 1 1 78 78 TYR CB C 78 38.369 38.369 37.753 0.616 25439 21461 1 29 . 1 1 78 78 TYR H H 78 8.598 8.598 8.716 -0.118 25439 21462 1 29 . 1 1 79 79 ASP N N 79 117.189 117.189 119.708 -2.519 25439 21463 1 29 . 1 1 79 79 ASP HA H 79 4.066 4.066 4.041 0.025 25439 21464 1 29 . 1 1 79 79 ASP CA C 79 57.219 57.219 56.956 0.263 25439 21465 1 29 . 1 1 79 79 ASP CB C 79 40.003 40.003 40.672 -0.669 25439 21466 1 29 . 1 1 79 79 ASP H H 79 9.106 9.106 8.545 0.561 25439 21467 1 29 . 1 1 80 80 TRP N N 80 123.400 123.400 122.540 0.860 25439 21468 1 29 . 1 1 80 80 TRP HA H 80 4.160 4.160 4.144 0.016 25439 21469 1 29 . 1 1 80 80 TRP CA C 80 62.368 62.368 61.434 0.933 25439 21470 1 29 . 1 1 80 80 TRP CB C 80 29.969 29.969 29.454 0.515 25439 21471 1 29 . 1 1 80 80 TRP H H 80 7.931 7.931 8.386 -0.455 25439 21472 1 29 . 1 1 81 81 LEU N N 81 119.674 119.674 118.778 0.896 25439 21473 1 29 . 1 1 81 81 LEU HA H 81 3.971 3.971 2.664 1.307 25439 21474 1 29 . 1 1 81 81 LEU CA C 81 58.294 58.294 57.553 0.741 25439 21475 1 29 . 1 1 81 81 LEU CB C 81 41.818 41.818 41.559 0.259 25439 21476 1 29 . 1 1 81 81 LEU H H 81 8.814 8.814 8.236 0.578 25439 21477 1 29 . 1 1 82 82 ILE N N 82 118.746 118.746 119.014 -0.268 25439 21478 1 29 . 1 1 82 82 ILE HA H 82 3.861 3.861 3.877 -0.016 25439 21479 1 29 . 1 1 82 82 ILE CA C 82 62.734 62.734 64.034 -1.300 25439 21480 1 29 . 1 1 82 82 ILE CB C 82 36.236 36.236 37.930 -1.694 25439 21481 1 29 . 1 1 82 82 ILE H H 82 7.886 7.886 7.586 0.300 25439 21482 1 29 . 1 1 83 83 LYS N N 83 124.819 124.819 118.784 6.035 25439 21483 1 29 . 1 1 83 83 LYS HA H 83 3.911 3.911 4.111 -0.200 25439 21484 1 29 . 1 1 83 83 LYS CA C 83 59.643 59.643 57.977 1.666 25439 21485 1 29 . 1 1 83 83 LYS CB C 83 32.027 32.027 32.798 -0.771 25439 21486 1 29 . 1 1 83 83 LYS H H 83 8.224 8.224 7.621 0.603 25439 21487 1 29 . 1 1 84 84 GLU N N 84 115.404 115.404 117.853 -2.449 25439 21488 1 29 . 1 1 84 84 GLU HA H 84 3.841 3.841 4.255 -0.414 25439 21489 1 29 . 1 1 84 84 GLU CA C 84 55.582 55.582 55.099 0.484 25439 21490 1 29 . 1 1 84 84 GLU CB C 84 29.459 29.459 28.365 1.094 25439 21491 1 29 . 1 1 84 84 GLU H H 84 8.138 8.138 7.298 0.840 25439 21492 1 29 . 1 1 85 85 LYS N N 85 111.563 111.563 118.344 -6.781 25439 21493 1 29 . 1 1 85 85 LYS HA H 85 3.820 3.820 3.941 -0.121 25439 21494 1 29 . 1 1 85 85 LYS CA C 85 57.890 57.890 57.230 0.660 25439 21495 1 29 . 1 1 85 85 LYS CB C 85 28.005 28.005 30.603 -2.598 25439 21496 1 29 . 1 1 85 85 LYS H H 85 7.719 7.719 7.939 -0.220 25439 21497 1 29 . 1 1 86 86 TYR N N 86 116.916 116.916 118.718 -1.802 25439 21498 1 29 . 1 1 86 86 TYR HA H 86 4.137 4.137 4.465 -0.328 25439 21499 1 29 . 1 1 86 86 TYR CA C 86 61.228 61.228 59.147 2.081 25439 21500 1 29 . 1 1 86 86 TYR CB C 86 39.535 39.535 41.045 -1.510 25439 21501 1 29 . 1 1 86 86 TYR H H 86 8.521 8.521 7.984 0.537 25439 21502 1 29 . 1 1 87 87 ALA N N 87 113.715 113.715 119.149 -5.434 25439 21503 1 29 . 1 1 87 87 ALA HA H 87 4.738 4.738 4.398 0.340 25439 21504 1 29 . 1 1 87 87 ALA CA C 87 49.121 49.121 50.338 -1.217 25439 21505 1 29 . 1 1 87 87 ALA CB C 87 23.295 23.295 21.513 1.782 25439 21506 1 29 . 1 1 87 87 ALA H H 87 6.959 6.959 7.647 -0.688 25439 21507 1 29 . 1 1 88 88 ASP N N 88 119.344 119.344 119.012 0.332 25439 21508 1 29 . 1 1 88 88 ASP HA H 88 4.544 4.544 4.901 -0.357 25439 21509 1 29 . 1 1 88 88 ASP CA C 88 52.714 52.714 53.410 -0.696 25439 21510 1 29 . 1 1 88 88 ASP CB C 88 41.845 41.845 42.710 -0.865 25439 21511 1 29 . 1 1 88 88 ASP H H 88 7.870 7.870 8.515 -0.645 25439 21512 1 29 . 1 1 89 89 LYS N N 89 125.312 125.312 126.552 -1.240 25439 21513 1 29 . 1 1 89 89 LYS HA H 89 3.834 3.834 4.062 -0.228 25439 21514 1 29 . 1 1 89 89 LYS CA C 89 59.409 59.409 59.610 -0.201 25439 21515 1 29 . 1 1 89 89 LYS CB C 89 32.848 32.848 32.550 0.298 25439 21516 1 29 . 1 1 89 89 LYS H H 89 8.467 8.467 8.742 -0.275 25439 21517 1 29 . 1 1 90 90 LEU N N 90 119.899 119.899 120.145 -0.246 25439 21518 1 29 . 1 1 90 90 LEU HA H 90 4.023 4.023 3.976 0.047 25439 21519 1 29 . 1 1 90 90 LEU CA C 90 57.049 57.049 58.086 -1.037 25439 21520 1 29 . 1 1 90 90 LEU CB C 90 41.099 41.099 41.753 -0.654 25439 21521 1 29 . 1 1 90 90 LEU H H 90 8.076 8.076 7.850 0.226 25439 21522 1 29 . 1 1 91 91 LEU N N 91 123.148 123.148 120.079 3.069 25439 21523 1 29 . 1 1 91 91 LEU HA H 91 3.498 3.498 3.698 -0.200 25439 21524 1 29 . 1 1 91 91 LEU CA C 91 56.971 56.971 57.653 -0.681 25439 21525 1 29 . 1 1 91 91 LEU CB C 91 41.823 41.823 41.621 0.202 25439 21526 1 29 . 1 1 91 91 LEU H H 91 7.120 7.120 7.457 -0.337 25439 21527 1 29 . 1 1 92 92 ILE N N 92 116.780 116.780 118.555 -1.775 25439 21528 1 29 . 1 1 92 92 ILE HA H 92 3.265 3.265 3.551 -0.286 25439 21529 1 29 . 1 1 92 92 ILE CA C 92 65.178 65.178 65.173 0.005 25439 21530 1 29 . 1 1 92 92 ILE CB C 92 38.209 38.209 37.527 0.682 25439 21531 1 29 . 1 1 92 92 ILE H H 92 7.384 7.384 7.741 -0.357 25439 21532 1 29 . 1 1 93 93 ALA N N 93 117.061 117.061 122.207 -5.146 25439 21533 1 29 . 1 1 93 93 ALA HA H 93 3.930 3.930 4.020 -0.090 25439 21534 1 29 . 1 1 93 93 ALA CA C 93 54.839 54.839 55.416 -0.577 25439 21535 1 29 . 1 1 93 93 ALA CB C 93 18.125 18.125 18.198 -0.073 25439 21536 1 29 . 1 1 93 93 ALA H H 93 7.437 7.437 8.727 -1.290 25439 21537 1 29 . 1 1 94 94 LYS N N 94 116.036 116.036 118.831 -2.795 25439 21538 1 29 . 1 1 94 94 LYS HA H 94 3.803 3.803 3.491 0.312 25439 21539 1 29 . 1 1 94 94 LYS CA C 94 56.945 56.945 58.412 -1.467 25439 21540 1 29 . 1 1 94 94 LYS CB C 94 31.047 31.047 31.515 -0.468 25439 21541 1 29 . 1 1 94 94 LYS H H 94 7.012 7.012 7.694 -0.682 25439 21542 1 29 . 1 1 95 95 TRP N N 95 118.700 118.700 116.266 2.434 25439 21543 1 29 . 1 1 95 95 TRP HA H 95 4.814 4.814 4.512 0.302 25439 21544 1 29 . 1 1 95 95 TRP CA C 95 57.136 57.136 58.920 -1.784 25439 21545 1 29 . 1 1 95 95 TRP CB C 95 28.171 28.171 29.029 -0.858 25439 21546 1 29 . 1 1 95 95 TRP H H 95 7.611 7.611 7.547 0.064 25439 21547 1 29 . 1 1 96 96 ARG N N 96 113.031 113.031 116.348 -3.317 25439 21548 1 29 . 1 1 96 96 ARG HA H 96 4.233 4.233 4.316 -0.083 25439 21549 1 29 . 1 1 96 96 ARG CA C 96 56.234 56.234 56.975 -0.741 25439 21550 1 29 . 1 1 96 96 ARG CB C 96 30.245 30.245 30.535 -0.290 25439 21551 1 29 . 1 1 96 96 ARG H H 96 7.066 7.066 7.402 -0.336 25439 21552 1 29 . 1 1 97 97 LYS N N 97 123.252 123.252 119.609 3.643 25439 21553 1 29 . 1 1 97 97 LYS HA H 97 4.634 4.634 4.296 0.338 25439 21554 1 29 . 1 1 97 97 LYS CA C 97 54.937 54.937 57.062 -2.125 25439 21555 1 29 . 1 1 97 97 LYS CB C 97 34.166 34.166 32.751 1.415 25439 21556 1 29 . 1 1 97 97 LYS H H 97 8.467 8.467 8.281 0.186 25439 21557 1 29 . 1 1 98 98 THR N N 98 119.993 119.993 112.493 7.500 25439 21558 1 29 . 1 1 98 98 THR HA H 98 4.224 4.224 4.486 -0.262 25439 21559 1 29 . 1 1 98 98 THR CA C 98 64.670 64.670 61.809 2.861 25439 21560 1 29 . 1 1 98 98 THR CB C 98 69.200 69.200 69.581 -0.381 25439 21561 1 29 . 1 1 98 98 THR H H 98 8.329 8.329 8.195 0.134 25439 21562 1 29 . 1 1 99 99 GLY N N 99 116.645 116.645 113.021 3.624 25439 21563 1 29 . 1 1 99 99 GLY CA C 99 45.047 45.047 44.850 0.197 25439 21564 1 29 . 1 1 99 99 GLY H H 99 9.273 9.273 8.828 0.445 25439 21565 1 29 . 1 1 100 100 TYR N N 100 120.784 120.784 119.131 1.653 25439 21566 1 29 . 1 1 100 100 TYR HA H 100 4.704 4.704 4.768 -0.064 25439 21567 1 29 . 1 1 100 100 TYR CA C 100 57.697 57.697 55.693 2.004 25439 21568 1 29 . 1 1 100 100 TYR CB C 100 39.413 39.413 37.633 1.780 25439 21569 1 29 . 1 1 100 100 TYR H H 100 8.457 8.457 8.140 0.317 25439 21570 1 29 . 1 1 101 101 GLU N N 101 119.482 119.482 121.887 -2.405 25439 21571 1 29 . 1 1 101 101 GLU HA H 101 4.601 4.601 4.217 0.384 25439 21572 1 29 . 1 1 101 101 GLU CA C 101 61.207 61.207 58.199 3.008 25439 21573 1 29 . 1 1 101 101 GLU CB C 101 29.648 29.648 30.040 -0.392 25439 21574 1 29 . 1 1 101 101 GLU H H 101 9.836 9.836 8.580 1.256 25439 21575 1 29 . 1 1 102 102 LYS N N 102 115.179 115.179 119.879 -4.700 25439 21576 1 29 . 1 1 102 102 LYS HA H 102 4.295 4.295 4.592 -0.297 25439 21577 1 29 . 1 1 102 102 LYS CA C 102 54.207 54.207 55.308 -1.101 25439 21578 1 29 . 1 1 102 102 LYS CB C 102 32.489 32.489 33.194 -0.705 25439 21579 1 29 . 1 1 102 102 LYS H H 102 8.291 8.291 7.985 0.306 25439 21580 1 29 . 1 1 103 103 LEU N N 103 119.637 119.637 125.216 -5.579 25439 21581 1 29 . 1 1 103 103 LEU HA H 103 4.385 4.385 4.817 -0.432 25439 21582 1 29 . 1 1 103 103 LEU CA C 103 56.549 56.549 54.817 1.732 25439 21583 1 29 . 1 1 103 103 LEU CB C 103 43.864 43.864 44.621 -0.757 25439 21584 1 29 . 1 1 103 103 LEU H H 103 7.642 7.642 8.575 -0.933 25439 21585 1 29 . 1 1 104 104 CYS N N 104 129.651 129.651 121.385 8.266 25439 21586 1 29 . 1 1 104 104 CYS HA H 104 4.498 4.498 5.156 -0.658 25439 21587 1 29 . 1 1 104 104 CYS CA C 104 58.076 58.076 58.415 -0.339 25439 21588 1 29 . 1 1 104 104 CYS CB C 104 32.301 32.301 28.304 3.997 25439 21589 1 29 . 1 1 104 104 CYS H H 104 8.638 8.638 9.019 -0.381 25439 21590 1 29 . 1 1 105 105 CYS N N 105 120.206 120.206 118.382 1.824 25439 21591 1 29 . 1 1 105 105 CYS HA H 105 4.806 4.806 4.850 -0.044 25439 21592 1 29 . 1 1 105 105 CYS CA C 105 58.271 58.271 56.842 1.429 25439 21593 1 29 . 1 1 105 105 CYS CB C 105 32.062 32.062 30.215 1.847 25439 21594 1 29 . 1 1 105 105 CYS H H 105 8.158 8.158 8.081 0.077 25439 21595 1 29 . 1 1 106 106 LEU N N 106 115.513 115.513 121.345 -5.832 25439 21596 1 29 . 1 1 106 106 LEU HA H 106 4.054 4.054 4.243 -0.189 25439 21597 1 29 . 1 1 106 106 LEU CA C 106 56.110 56.110 56.837 -0.727 25439 21598 1 29 . 1 1 106 106 LEU CB C 106 41.227 41.227 42.334 -1.107 25439 21599 1 29 . 1 1 106 106 LEU H H 106 8.466 8.466 8.353 0.113 25439 21600 1 29 . 1 1 107 107 ARG N N 107 122.711 122.711 119.515 3.196 25439 21601 1 29 . 1 1 107 107 ARG HA H 107 3.993 3.993 4.298 -0.305 25439 21602 1 29 . 1 1 107 107 ARG CA C 107 58.311 58.311 56.229 2.082 25439 21603 1 29 . 1 1 107 107 ARG CB C 107 28.965 28.965 29.147 -0.182 25439 21604 1 29 . 1 1 107 107 ARG H H 107 8.131 8.131 8.075 0.056 25439 21605 1 29 . 1 1 108 108 CYS N N 108 119.055 119.055 119.094 -0.039 25439 21606 1 29 . 1 1 108 108 CYS HA H 108 4.101 4.101 4.714 -0.613 25439 21607 1 29 . 1 1 108 108 CYS CA C 108 63.936 63.936 57.860 6.076 25439 21608 1 29 . 1 1 108 108 CYS CB C 108 30.934 30.934 27.143 3.791 25439 21609 1 29 . 1 1 108 108 CYS H H 108 8.010 8.010 8.136 -0.126 25439 21610 1 29 . 1 1 109 109 ILE N N 109 107.315 107.315 113.447 -6.132 25439 21611 1 29 . 1 1 109 109 ILE HA H 109 4.684 4.684 4.463 0.221 25439 21612 1 29 . 1 1 109 109 ILE CA C 109 60.483 60.483 61.001 -0.518 25439 21613 1 29 . 1 1 109 109 ILE CB C 109 38.320 38.320 38.916 -0.596 25439 21614 1 29 . 1 1 109 109 ILE H H 109 7.105 7.105 7.523 -0.418 25439 21615 1 29 . 1 1 110 110 GLN N N 110 122.468 122.468 121.811 0.657 25439 21616 1 29 . 1 1 110 110 GLN HA H 110 4.268 4.268 4.292 -0.024 25439 21617 1 29 . 1 1 110 110 GLN CA C 110 55.981 55.981 56.188 -0.207 25439 21618 1 29 . 1 1 110 110 GLN CB C 110 29.656 29.656 27.177 2.479 25439 21619 1 29 . 1 1 110 110 GLN H H 110 7.156 7.156 8.485 -1.329 25439 21620 1 29 . 1 1 111 111 LYS N N 111 124.650 124.650 120.926 3.724 25439 21621 1 29 . 1 1 111 111 LYS HA H 111 4.246 4.246 4.303 -0.057 25439 21622 1 29 . 1 1 111 111 LYS CA C 111 56.546 56.546 56.959 -0.413 25439 21623 1 29 . 1 1 111 111 LYS CB C 111 32.846 32.846 33.145 -0.299 25439 21624 1 29 . 1 1 111 111 LYS H H 111 8.522 8.522 8.107 0.415 25439 21625 1 29 . 1 1 112 112 ASN N N 112 120.972 120.972 117.224 3.748 25439 21626 1 29 . 1 1 112 112 ASN HA H 112 4.778 4.778 4.490 0.288 25439 21627 1 29 . 1 1 112 112 ASN CA C 112 52.902 52.902 55.073 -2.171 25439 21628 1 29 . 1 1 112 112 ASN CB C 112 39.328 39.328 39.050 0.279 25439 21629 1 29 . 1 1 112 112 ASN H H 112 8.360 8.360 8.484 -0.124 25439 21630 1 29 . 1 1 113 113 GLU N N 113 121.710 121.710 118.711 2.999 25439 21631 1 29 . 1 1 113 113 GLU HA H 113 4.248 4.248 4.511 -0.263 25439 21632 1 29 . 1 1 113 113 GLU CA C 113 58.611 58.611 56.034 2.577 25439 21633 1 29 . 1 1 113 113 GLU CB C 113 29.590 29.590 31.285 -1.695 25439 21634 1 29 . 1 1 113 113 GLU H H 113 9.023 9.023 8.155 0.868 25439 21635 1 29 . 1 1 114 114 THR N N 114 112.186 112.186 118.598 -6.412 25439 21636 1 29 . 1 1 114 114 THR HA H 114 4.321 4.321 4.588 -0.267 25439 21637 1 29 . 1 1 114 114 THR CA C 114 63.161 63.161 62.324 0.837 25439 21638 1 29 . 1 1 114 114 THR CB C 114 69.481 69.481 69.181 0.300 25439 21639 1 29 . 1 1 114 114 THR H H 114 8.112 8.112 8.437 -0.325 25439 21640 1 29 . 1 1 115 115 ASN N N 115 119.112 119.112 121.559 -2.447 25439 21641 1 29 . 1 1 115 115 ASN HA H 115 4.829 4.829 4.728 0.101 25439 21642 1 29 . 1 1 115 115 ASN CA C 115 53.110 53.110 53.531 -0.421 25439 21643 1 29 . 1 1 115 115 ASN CB C 115 38.659 38.659 39.622 -0.963 25439 21644 1 29 . 1 1 115 115 ASN H H 115 8.047 8.047 8.566 -0.519 25439 21645 1 29 . 1 1 116 116 ASN N N 116 117.175 117.175 119.477 -2.302 25439 21646 1 29 . 1 1 116 116 ASN HA H 116 4.615 4.615 4.847 -0.232 25439 21647 1 29 . 1 1 116 116 ASN CA C 116 53.965 53.965 52.896 1.069 25439 21648 1 29 . 1 1 116 116 ASN CB C 116 38.173 38.173 38.871 -0.698 25439 21649 1 29 . 1 1 116 116 ASN H H 116 8.364 8.364 8.193 0.171 25439 21650 1 29 . 1 1 117 117 GLY N N 117 107.294 107.294 112.629 -5.335 25439 21651 1 29 . 1 1 117 117 GLY CA C 117 45.882 45.882 44.670 1.212 25439 21652 1 29 . 1 1 117 117 GLY H H 117 8.264 8.264 8.644 -0.380 25439 21653 1 29 . 1 1 118 118 SER N N 118 115.475 115.475 115.944 -0.469 25439 21654 1 29 . 1 1 118 118 SER HA H 118 4.586 4.586 4.714 -0.128 25439 21655 1 29 . 1 1 118 118 SER CA C 118 57.974 57.974 57.319 0.655 25439 21656 1 29 . 1 1 118 118 SER CB C 118 64.479 64.479 66.144 -1.665 25439 21657 1 29 . 1 1 118 118 SER H H 118 7.905 7.905 8.324 -0.419 25439 21658 1 29 . 1 1 119 119 THR N N 119 111.360 111.360 115.413 -4.053 25439 21659 1 29 . 1 1 119 119 THR HA H 119 4.450 4.450 4.553 -0.103 25439 21660 1 29 . 1 1 119 119 THR CA C 119 61.215 61.215 61.398 -0.183 25439 21661 1 29 . 1 1 119 119 THR CB C 119 70.569 70.569 70.471 0.098 25439 21662 1 29 . 1 1 119 119 THR H H 119 8.044 8.044 8.122 -0.078 25439 21663 1 29 . 1 1 120 120 CYS N N 120 122.708 122.708 121.233 1.475 25439 21664 1 29 . 1 1 120 120 CYS HA H 120 4.255 4.255 4.755 -0.500 25439 21665 1 29 . 1 1 120 120 CYS CA C 120 61.469 61.469 57.537 3.932 25439 21666 1 29 . 1 1 120 120 CYS CB C 120 30.892 30.892 29.414 1.478 25439 21667 1 29 . 1 1 120 120 CYS H H 120 8.045 8.045 8.478 -0.433 25439 21668 1 29 . 1 1 121 121 ILE N N 121 132.463 132.463 123.819 8.644 25439 21669 1 29 . 1 1 121 121 ILE HA H 121 4.025 4.025 3.831 0.194 25439 21670 1 29 . 1 1 121 121 ILE CA C 121 63.353 63.353 63.108 0.244 25439 21671 1 29 . 1 1 121 121 ILE CB C 121 38.222 38.222 37.596 0.626 25439 21672 1 29 . 1 1 121 121 ILE H H 121 8.237 8.237 8.421 -0.184 25439 21673 1 29 . 1 1 122 122 CYS N N 122 123.931 123.931 118.160 5.771 25439 21674 1 29 . 1 1 122 122 CYS HA H 122 4.233 4.233 4.212 0.021 25439 21675 1 29 . 1 1 122 122 CYS CA C 122 60.230 60.230 60.465 -0.235 25439 21676 1 29 . 1 1 122 122 CYS CB C 122 30.602 30.602 25.978 4.624 25439 21677 1 29 . 1 1 122 122 CYS H H 122 9.355 9.355 7.526 1.829 25439 21678 1 29 . 1 1 123 123 ARG N N 123 119.561 119.561 121.522 -1.961 25439 21679 1 29 . 1 1 123 123 ARG HA H 123 4.150 4.150 4.312 -0.162 25439 21680 1 29 . 1 1 123 123 ARG CA C 123 53.177 53.177 58.053 -4.876 25439 21681 1 29 . 1 1 123 123 ARG CB C 123 27.961 27.961 30.402 -2.441 25439 21682 1 29 . 1 1 123 123 ARG H H 123 7.677 7.677 7.693 -0.016 25439 21683 1 29 . 1 1 124 124 VAL N N 124 122.794 122.794 121.397 1.397 25439 21684 1 29 . 1 1 124 124 VAL HA H 124 4.081 4.081 4.062 0.019 25439 21685 1 29 . 1 1 124 124 VAL CA C 124 60.647 60.647 61.033 -0.386 25439 21686 1 29 . 1 1 124 124 VAL CB C 124 32.857 32.857 31.771 1.086 25439 21687 1 29 . 1 1 124 124 VAL H H 124 7.578 7.578 7.448 0.130 25439 21688 1 29 . 1 1 125 125 PRO HA H 125 4.263 4.263 4.539 -0.276 25439 21689 1 29 . 1 1 125 125 PRO CA C 125 63.268 63.268 62.345 0.923 25439 21690 1 29 . 1 1 125 125 PRO CB C 125 32.379 32.379 32.761 -0.382 25439 21691 1 29 . 1 1 126 126 ARG N N 126 128.350 128.350 120.362 7.988 25439 21692 1 29 . 1 1 126 126 ARG HA H 126 3.912 3.912 3.987 -0.075 25439 21693 1 29 . 1 1 126 126 ARG CA C 126 59.653 59.653 59.336 0.317 25439 21694 1 29 . 1 1 126 126 ARG CB C 126 29.339 29.339 29.522 -0.183 25439 21695 1 29 . 1 1 126 126 ARG H H 126 9.534 9.534 8.711 0.823 25439 21696 1 29 . 1 1 127 127 ALA N N 127 119.169 119.169 120.288 -1.119 25439 21697 1 29 . 1 1 127 127 ALA HA H 127 4.192 4.192 4.053 0.139 25439 21698 1 29 . 1 1 127 127 ALA CA C 127 55.227 55.227 55.233 -0.006 25439 21699 1 29 . 1 1 127 127 ALA CB C 127 18.363 18.363 18.073 0.290 25439 21700 1 29 . 1 1 127 127 ALA H H 127 9.263 9.263 8.277 0.986 25439 21701 1 29 . 1 1 128 128 GLN N N 128 117.345 117.345 118.290 -0.945 25439 21702 1 29 . 1 1 128 128 GLN HA H 128 4.209 4.209 4.113 0.096 25439 21703 1 29 . 1 1 128 128 GLN CA C 128 58.506 58.506 58.307 0.199 25439 21704 1 29 . 1 1 128 128 GLN CB C 128 28.220 28.220 28.233 -0.013 25439 21705 1 29 . 1 1 128 128 GLN H H 128 7.448 7.448 8.177 -0.729 25439 21706 1 29 . 1 1 129 129 LEU N N 129 120.561 120.561 120.473 0.088 25439 21707 1 29 . 1 1 129 129 LEU HA H 129 4.088 4.088 3.902 0.186 25439 21708 1 29 . 1 1 129 129 LEU CA C 129 57.952 57.952 58.106 -0.154 25439 21709 1 29 . 1 1 129 129 LEU CB C 129 41.817 41.817 41.826 -0.009 25439 21710 1 29 . 1 1 129 129 LEU H H 129 7.622 7.622 7.522 0.100 25439 21711 1 29 . 1 1 130 130 GLU N N 130 119.122 119.122 118.927 0.195 25439 21712 1 29 . 1 1 130 130 GLU HA H 130 3.956 3.956 3.891 0.065 25439 21713 1 29 . 1 1 130 130 GLU CA C 130 59.353 59.353 59.885 -0.532 25439 21714 1 29 . 1 1 130 130 GLU CB C 130 29.337 29.337 29.425 -0.088 25439 21715 1 29 . 1 1 130 130 GLU H H 130 8.656 8.656 8.615 0.041 25439 21716 1 29 . 1 1 131 131 GLU N N 131 121.469 121.469 119.493 1.976 25439 21717 1 29 . 1 1 131 131 GLU HA H 131 4.163 4.163 4.010 0.153 25439 21718 1 29 . 1 1 131 131 GLU CA C 131 59.288 59.288 59.432 -0.145 25439 21719 1 29 . 1 1 131 131 GLU CB C 131 29.422 29.422 29.400 0.022 25439 21720 1 29 . 1 1 131 131 GLU H H 131 7.922 7.922 7.780 0.142 25439 21721 1 29 . 1 1 132 132 GLU N N 132 119.241 119.241 119.542 -0.301 25439 21722 1 29 . 1 1 132 132 GLU HA H 132 3.998 3.998 4.025 -0.027 25439 21723 1 29 . 1 1 132 132 GLU CA C 132 59.327 59.327 59.318 0.009 25439 21724 1 29 . 1 1 132 132 GLU CB C 132 29.421 29.421 29.679 -0.258 25439 21725 1 29 . 1 1 132 132 GLU H H 132 8.099 8.099 7.511 0.588 25439 21726 1 29 . 1 1 133 133 ALA N N 133 121.302 121.302 121.724 -0.422 25439 21727 1 29 . 1 1 133 133 ALA HA H 133 4.053 4.053 4.063 -0.010 25439 21728 1 29 . 1 1 133 133 ALA CA C 133 54.973 54.973 55.264 -0.291 25439 21729 1 29 . 1 1 133 133 ALA CB C 133 18.154 18.154 18.191 -0.037 25439 21730 1 29 . 1 1 133 133 ALA H H 133 7.795 7.795 7.708 0.087 25439 21731 1 29 . 1 1 134 134 ARG N N 134 118.757 118.757 118.051 0.706 25439 21732 1 29 . 1 1 134 134 ARG HA H 134 4.143 4.143 4.053 0.090 25439 21733 1 29 . 1 1 134 134 ARG CA C 134 59.438 59.438 58.960 0.478 25439 21734 1 29 . 1 1 134 134 ARG CB C 134 30.148 30.148 30.363 -0.215 25439 21735 1 29 . 1 1 134 134 ARG H H 134 8.145 8.145 7.933 0.212 25439 21736 1 29 . 1 1 135 135 LYS N N 135 119.496 119.496 118.129 1.367 25439 21737 1 29 . 1 1 135 135 LYS HA H 135 4.073 4.073 4.148 -0.075 25439 21738 1 29 . 1 1 135 135 LYS CA C 135 59.327 59.327 58.245 1.082 25439 21739 1 29 . 1 1 135 135 LYS CB C 135 32.539 32.539 32.382 0.157 25439 21740 1 29 . 1 1 135 135 LYS H H 135 8.036 8.036 7.889 0.147 25439 21741 1 29 . 1 1 136 136 LYS N N 136 116.645 116.645 117.657 -1.012 25439 21742 1 29 . 1 1 136 136 LYS HA H 136 4.362 4.362 4.262 0.100 25439 21743 1 29 . 1 1 136 136 LYS CA C 136 56.575 56.575 56.551 0.024 25439 21744 1 29 . 1 1 136 136 LYS CB C 136 33.629 33.629 33.431 0.198 25439 21745 1 29 . 1 1 136 136 LYS H H 136 7.682 7.682 7.983 -0.301 25439 21746 1 29 . 1 1 137 137 GLY N N 137 109.349 109.349 107.011 2.338 25439 21747 1 29 . 1 1 137 137 GLY CA C 137 46.358 46.358 45.124 1.234 25439 21748 1 29 . 1 1 137 137 GLY H H 137 8.064 8.064 7.788 0.276 25439 21749 1 29 . 1 1 138 138 THR N N 138 112.870 112.870 113.030 -0.160 25439 21750 1 29 . 1 1 138 138 THR HA H 138 4.735 4.735 4.676 0.059 25439 21751 1 29 . 1 1 138 138 THR CA C 138 59.308 59.308 60.455 -1.147 25439 21752 1 29 . 1 1 138 138 THR CB C 138 70.755 70.755 70.071 0.684 25439 21753 1 29 . 1 1 138 138 THR H H 138 8.111 8.111 8.277 -0.166 25439 21754 1 29 . 1 1 139 139 GLN N N 139 118.177 118.177 119.180 -1.003 25439 21755 1 29 . 1 1 139 139 GLN HA H 139 4.609 4.609 4.576 0.033 25439 21756 1 29 . 1 1 139 139 GLN CA C 139 54.435 54.435 54.692 -0.257 25439 21757 1 29 . 1 1 139 139 GLN CB C 139 30.777 30.777 31.171 -0.394 25439 21758 1 29 . 1 1 139 139 GLN H H 139 8.227 8.227 8.374 -0.147 25439 21759 1 29 . 1 1 140 140 VAL N N 140 123.601 123.601 121.037 2.564 25439 21760 1 29 . 1 1 140 140 VAL HA H 140 3.790 3.790 4.406 -0.616 25439 21761 1 29 . 1 1 140 140 VAL CA C 140 63.934 63.934 61.160 2.774 25439 21762 1 29 . 1 1 140 140 VAL CB C 140 32.154 32.154 34.001 -1.847 25439 21763 1 29 . 1 1 140 140 VAL H H 140 8.839 8.839 8.190 0.649 25439 21764 1 29 . 1 1 141 141 SER HA H 141 4.524 4.524 4.629 -0.105 25439 21765 1 29 . 1 1 141 141 SER CA C 141 57.841 57.841 58.494 -0.653 25439 21766 1 29 . 1 1 141 141 SER CB C 141 64.174 64.174 63.524 0.650 25439 21767 1 29 . 1 1 142 142 PHE N N 142 123.726 123.726 126.094 -2.368 25439 21768 1 29 . 1 1 142 142 PHE HA H 142 4.458 4.458 4.870 -0.412 25439 21769 1 29 . 1 1 142 142 PHE CA C 142 58.673 58.673 57.993 0.680 25439 21770 1 29 . 1 1 142 142 PHE CB C 142 40.055 40.055 41.199 -1.144 25439 21771 1 29 . 1 1 142 142 PHE H H 142 7.534 7.534 8.385 -0.851 25439 21772 1 29 . 1 1 143 143 HIS N N 143 126.548 126.548 117.806 8.742 25439 21773 1 29 . 1 1 143 143 HIS HA H 143 4.336 4.336 4.351 -0.015 25439 21774 1 29 . 1 1 143 143 HIS CA C 143 56.837 56.837 56.486 0.351 25439 21775 1 29 . 1 1 143 143 HIS CB C 143 31.949 31.949 32.281 -0.332 25439 21776 1 29 . 1 1 143 143 HIS H H 143 8.308 8.308 7.408 0.900 25439 21777 1 29 . 1 1 144 144 GLN N N 144 115.094 115.094 116.307 -1.213 25439 21778 1 29 . 1 1 144 144 GLN HA H 144 4.433 4.433 4.700 -0.267 25439 21779 1 29 . 1 1 144 144 GLN CA C 144 54.210 54.210 53.242 0.968 25439 21780 1 29 . 1 1 144 144 GLN CB C 144 32.925 32.925 32.173 0.752 25439 21781 1 29 . 1 1 144 144 GLN H H 144 7.203 7.203 7.032 0.171 25439 21782 1 29 . 1 1 145 145 CYS N N 145 123.088 123.088 118.857 4.231 25439 21783 1 29 . 1 1 145 145 CYS HA H 145 4.961 4.961 5.040 -0.079 25439 21784 1 29 . 1 1 145 145 CYS CA C 145 57.978 57.978 56.988 0.990 25439 21785 1 29 . 1 1 145 145 CYS CB C 145 33.555 33.555 30.093 3.462 25439 21786 1 29 . 1 1 145 145 CYS H H 145 8.668 8.668 8.588 0.080 25439 21787 1 29 . 1 1 146 146 VAL N N 146 113.265 113.265 121.353 -8.088 25439 21788 1 29 . 1 1 146 146 VAL HA H 146 4.238 4.238 4.223 0.015 25439 21789 1 29 . 1 1 146 146 VAL CA C 146 64.001 64.001 65.357 -1.356 25439 21790 1 29 . 1 1 146 146 VAL CB C 146 32.157 32.157 32.168 -0.011 25439 21791 1 29 . 1 1 146 146 VAL H H 146 8.198 8.198 8.501 -0.303 25439 21792 1 29 . 1 1 147 147 HIS N N 147 120.556 120.556 117.231 3.325 25439 21793 1 29 . 1 1 147 147 HIS HA H 147 4.604 4.604 4.371 0.233 25439 21794 1 29 . 1 1 147 147 HIS CA C 147 58.708 58.708 58.565 0.143 25439 21795 1 29 . 1 1 147 147 HIS CB C 147 32.204 32.204 29.450 2.754 25439 21796 1 29 . 1 1 147 147 HIS H H 147 7.151 7.151 8.339 -1.188 25439 21797 1 29 . 1 1 148 148 CYS N N 148 112.110 112.110 112.865 -0.755 25439 21798 1 29 . 1 1 148 148 CYS HA H 148 4.889 4.889 4.147 0.742 25439 21799 1 29 . 1 1 148 148 CYS CA C 148 57.952 57.952 55.528 2.424 25439 21800 1 29 . 1 1 148 148 CYS CB C 148 32.956 32.956 30.183 2.773 25439 21801 1 29 . 1 1 148 148 CYS H H 148 7.413 7.413 7.111 0.302 25439 21802 1 29 . 1 1 149 149 GLY N N 149 112.797 112.797 108.003 4.794 25439 21803 1 29 . 1 1 149 149 GLY CA C 149 45.327 45.327 44.562 0.765 25439 21804 1 29 . 1 1 149 149 GLY H H 149 6.949 6.949 8.235 -1.286 25439 21805 1 29 . 1 1 150 150 CYS N N 150 127.277 127.277 120.677 6.600 25439 21806 1 29 . 1 1 150 150 CYS HA H 150 3.932 3.932 4.591 -0.659 25439 21807 1 29 . 1 1 150 150 CYS CA C 150 61.362 61.362 56.972 4.390 25439 21808 1 29 . 1 1 150 150 CYS CB C 150 30.632 30.632 29.737 0.895 25439 21809 1 29 . 1 1 150 150 CYS H H 150 8.240 8.240 7.269 0.971 25439 21810 1 29 . 1 1 151 151 ARG N N 151 125.476 125.476 126.684 -1.208 25439 21811 1 29 . 1 1 151 151 ARG HA H 151 4.775 4.775 4.375 0.400 25439 21812 1 29 . 1 1 151 151 ARG CA C 151 56.164 56.164 54.488 1.676 25439 21813 1 29 . 1 1 151 151 ARG CB C 151 30.354 30.354 28.306 2.048 25439 21814 1 29 . 1 1 151 151 ARG H H 151 8.492 8.492 8.642 -0.150 25439 21815 1 29 . 1 1 152 152 GLY N N 152 117.275 117.275 108.809 8.466 25439 21816 1 29 . 1 1 152 152 GLY CA C 152 45.523 45.523 45.744 -0.221 25439 21817 1 29 . 1 1 152 152 GLY H H 152 9.812 9.812 7.828 1.984 25439 21818 1 29 . 1 1 153 153 CYS N N 153 126.187 126.187 119.230 6.957 25439 21819 1 29 . 1 1 153 153 CYS HA H 153 4.842 4.842 4.773 0.069 25439 21820 1 29 . 1 1 153 153 CYS CA C 153 57.130 57.130 55.901 1.229 25439 21821 1 29 . 1 1 153 153 CYS CB C 153 31.368 31.368 27.733 3.635 25439 21822 1 29 . 1 1 153 153 CYS H H 153 8.930 8.930 8.239 0.691 25439 21823 1 29 . 1 1 154 154 ALA N N 154 125.869 125.869 126.166 -0.297 25439 21824 1 29 . 1 1 154 154 ALA HA H 154 4.159 4.159 5.031 -0.872 25439 21825 1 29 . 1 1 154 154 ALA CA C 154 53.187 53.187 51.284 1.903 25439 21826 1 29 . 1 1 154 154 ALA CB C 154 18.937 18.937 21.200 -2.263 25439 21827 1 29 . 1 1 154 154 ALA H H 154 8.616 8.616 8.460 0.156 25439 21828 1 29 . 1 1 155 155 SER N N 155 116.724 116.724 118.355 -1.631 25439 21829 1 29 . 1 1 155 155 SER HA H 155 4.283 4.283 4.404 -0.121 25439 21830 1 29 . 1 1 155 155 SER CA C 155 60.136 60.136 59.990 0.146 25439 21831 1 29 . 1 1 155 155 SER CB C 155 63.575 63.575 63.728 -0.153 25439 21832 1 29 . 1 1 155 155 SER H H 155 9.358 9.358 8.760 0.598 25439 21833 1 29 . 1 1 156 156 THR N N 156 111.893 111.893 114.542 -2.649 25439 21834 1 29 . 1 1 156 156 THR HA H 156 4.358 4.358 4.091 0.267 25439 21835 1 29 . 1 1 156 156 THR CA C 156 61.264 61.264 64.183 -2.919 25439 21836 1 29 . 1 1 156 156 THR CB C 156 69.999 69.999 68.778 1.221 25439 21837 1 29 . 1 1 156 156 THR H H 156 7.638 7.638 8.088 -0.450 25439 21838 1 30 . 1 1 0 0 GLY CA C 0 43.750 43.750 44.634 -0.884 25439 21839 1 30 . 1 1 1 1 SER N N 1 117.201 117.201 118.420 -1.219 25439 21840 1 30 . 1 1 1 1 SER HA H 1 4.809 4.809 4.755 0.054 25439 21841 1 30 . 1 1 1 1 SER CA C 1 56.525 56.525 56.108 0.417 25439 21842 1 30 . 1 1 1 1 SER CB C 1 63.385 63.385 64.511 -1.126 25439 21843 1 30 . 1 1 1 1 SER H H 1 8.381 8.381 8.580 -0.199 25439 21844 1 30 . 1 1 2 2 PRO HA H 2 4.468 4.468 4.610 -0.142 25439 21845 1 30 . 1 1 2 2 PRO CA C 2 63.292 63.292 62.869 0.423 25439 21846 1 30 . 1 1 2 2 PRO CB C 2 32.174 32.174 32.327 -0.153 25439 21847 1 30 . 1 1 3 3 ARG N N 3 121.649 121.649 120.026 1.623 25439 21848 1 30 . 1 1 3 3 ARG HA H 3 4.324 4.324 4.686 -0.362 25439 21849 1 30 . 1 1 3 3 ARG CA C 3 56.226 56.226 55.877 0.350 25439 21850 1 30 . 1 1 3 3 ARG CB C 3 30.732 30.732 31.001 -0.269 25439 21851 1 30 . 1 1 3 3 ARG H H 3 8.428 8.428 8.443 -0.015 25439 21852 1 30 . 1 1 4 4 ILE N N 4 122.500 122.500 120.298 2.202 25439 21853 1 30 . 1 1 4 4 ILE HA H 4 4.181 4.181 4.461 -0.280 25439 21854 1 30 . 1 1 4 4 ILE CA C 4 60.943 60.943 60.830 0.113 25439 21855 1 30 . 1 1 4 4 ILE CB C 4 38.751 38.751 39.976 -1.225 25439 21856 1 30 . 1 1 4 4 ILE H H 4 8.165 8.165 8.265 -0.100 25439 21857 1 30 . 1 1 5 5 LYS N N 5 126.237 126.237 121.303 4.934 25439 21858 1 30 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.037 0.365 25439 21859 1 30 . 1 1 5 5 LYS CA C 5 56.422 56.422 57.375 -0.953 25439 21860 1 30 . 1 1 5 5 LYS CB C 5 33.130 33.130 32.741 0.389 25439 21861 1 30 . 1 1 5 5 LYS H H 5 8.500 8.500 8.538 -0.038 25439 21862 1 30 . 1 1 6 6 THR N N 6 116.495 116.495 115.920 0.575 25439 21863 1 30 . 1 1 6 6 THR HA H 6 4.323 4.323 4.547 -0.224 25439 21864 1 30 . 1 1 6 6 THR CA C 6 61.918 61.918 61.992 -0.074 25439 21865 1 30 . 1 1 6 6 THR CB C 6 69.963 69.963 69.275 0.688 25439 21866 1 30 . 1 1 6 6 THR H H 6 8.194 8.194 8.350 -0.156 25439 21867 1 30 . 1 1 7 7 ARG N N 7 124.128 124.128 125.429 -1.301 25439 21868 1 30 . 1 1 7 7 ARG HA H 7 4.396 4.396 4.630 -0.234 25439 21869 1 30 . 1 1 7 7 ARG CA C 7 56.128 56.128 55.420 0.708 25439 21870 1 30 . 1 1 7 7 ARG CB C 7 30.953 30.953 32.058 -1.105 25439 21871 1 30 . 1 1 7 7 ARG H H 7 8.458 8.458 8.435 0.023 25439 21872 1 30 . 1 1 8 8 ARG N N 8 123.384 123.384 120.829 2.555 25439 21873 1 30 . 1 1 8 8 ARG HA H 8 4.424 4.424 4.645 -0.221 25439 21874 1 30 . 1 1 8 8 ARG CA C 8 56.011 56.011 55.692 0.319 25439 21875 1 30 . 1 1 8 8 ARG CB C 8 31.058 31.058 31.562 -0.504 25439 21876 1 30 . 1 1 8 8 ARG H H 8 8.526 8.526 8.471 0.055 25439 21877 1 30 . 1 1 9 9 SER N N 9 118.446 118.446 116.511 1.935 25439 21878 1 30 . 1 1 9 9 SER HA H 9 4.473 4.473 4.643 -0.170 25439 21879 1 30 . 1 1 9 9 SER CA C 9 58.568 58.568 57.850 0.718 25439 21880 1 30 . 1 1 9 9 SER CB C 9 63.986 63.986 64.121 -0.135 25439 21881 1 30 . 1 1 9 9 SER H H 9 8.450 8.450 8.460 -0.010 25439 21882 1 30 . 1 1 10 10 LYS N N 10 124.117 124.117 125.215 -1.098 25439 21883 1 30 . 1 1 10 10 LYS HA H 10 4.673 4.673 4.705 -0.032 25439 21884 1 30 . 1 1 10 10 LYS CA C 10 54.412 54.412 53.909 0.503 25439 21885 1 30 . 1 1 10 10 LYS CB C 10 32.693 32.693 32.921 -0.228 25439 21886 1 30 . 1 1 10 10 LYS H H 10 8.426 8.426 8.509 -0.083 25439 21887 1 30 . 1 1 11 11 PRO HA H 11 4.360 4.360 4.451 -0.091 25439 21888 1 30 . 1 1 11 11 PRO CA C 11 62.861 62.861 62.593 0.268 25439 21889 1 30 . 1 1 11 11 PRO CB C 11 32.106 32.106 32.122 -0.016 25439 21890 1 30 . 1 1 12 12 ALA N N 12 124.420 124.420 120.819 3.601 25439 21891 1 30 . 1 1 12 12 ALA HA H 12 2.889 2.889 2.806 0.083 25439 21892 1 30 . 1 1 12 12 ALA CA C 12 49.735 49.735 50.830 -1.095 25439 21893 1 30 . 1 1 12 12 ALA CB C 12 18.066 18.066 16.527 1.539 25439 21894 1 30 . 1 1 12 12 ALA H H 12 7.890 7.890 7.786 0.104 25439 21895 1 30 . 1 1 13 13 PRO HA H 13 4.207 4.207 4.452 -0.245 25439 21896 1 30 . 1 1 13 13 PRO CA C 13 62.111 62.111 61.805 0.306 25439 21897 1 30 . 1 1 13 13 PRO CB C 13 32.582 32.582 32.402 0.180 25439 21898 1 30 . 1 1 14 14 ASP N N 14 119.535 119.535 120.303 -0.768 25439 21899 1 30 . 1 1 14 14 ASP HA H 14 4.379 4.379 4.278 0.101 25439 21900 1 30 . 1 1 14 14 ASP CA C 14 56.427 56.427 57.663 -1.236 25439 21901 1 30 . 1 1 14 14 ASP CB C 14 41.177 41.177 40.610 0.567 25439 21902 1 30 . 1 1 14 14 ASP H H 14 8.206 8.206 8.738 -0.532 25439 21903 1 30 . 1 1 15 15 GLY N N 15 113.273 113.273 107.895 5.378 25439 21904 1 30 . 1 1 15 15 GLY CA C 15 45.146 45.146 46.609 -1.463 25439 21905 1 30 . 1 1 15 15 GLY H H 15 8.723 8.723 8.317 0.406 25439 21906 1 30 . 1 1 16 16 PHE N N 16 123.113 123.113 122.826 0.287 25439 21907 1 30 . 1 1 16 16 PHE HA H 16 4.125 4.125 4.239 -0.114 25439 21908 1 30 . 1 1 16 16 PHE CA C 16 60.715 60.715 59.458 1.257 25439 21909 1 30 . 1 1 16 16 PHE CB C 16 39.639 39.639 39.119 0.520 25439 21910 1 30 . 1 1 16 16 PHE H H 16 8.127 8.127 8.310 -0.183 25439 21911 1 30 . 1 1 17 17 GLU N N 17 115.695 115.695 119.584 -3.889 25439 21912 1 30 . 1 1 17 17 GLU HA H 17 3.768 3.768 3.856 -0.088 25439 21913 1 30 . 1 1 17 17 GLU CA C 17 59.234 59.234 59.253 -0.019 25439 21914 1 30 . 1 1 17 17 GLU CB C 17 28.495 28.495 29.210 -0.716 25439 21915 1 30 . 1 1 17 17 GLU H H 17 9.088 9.088 8.119 0.969 25439 21916 1 30 . 1 1 18 18 LYS N N 18 115.887 115.887 117.869 -1.982 25439 21917 1 30 . 1 1 18 18 LYS HA H 18 4.165 4.165 4.060 0.105 25439 21918 1 30 . 1 1 18 18 LYS CA C 18 58.249 58.249 59.065 -0.816 25439 21919 1 30 . 1 1 18 18 LYS CB C 18 32.725 32.725 32.790 -0.065 25439 21920 1 30 . 1 1 18 18 LYS H H 18 7.285 7.285 7.788 -0.503 25439 21921 1 30 . 1 1 19 19 ILE N N 19 110.277 110.277 111.438 -1.161 25439 21922 1 30 . 1 1 19 19 ILE HA H 19 4.722 4.722 4.691 0.031 25439 21923 1 30 . 1 1 19 19 ILE CA C 19 61.093 61.093 59.545 1.548 25439 21924 1 30 . 1 1 19 19 ILE CB C 19 39.139 39.139 37.647 1.492 25439 21925 1 30 . 1 1 19 19 ILE H H 19 7.031 7.031 7.458 -0.427 25439 21926 1 30 . 1 1 20 20 LYS N N 20 124.540 124.540 123.035 1.505 25439 21927 1 30 . 1 1 20 20 LYS HA H 20 3.603 3.603 3.856 -0.253 25439 21928 1 30 . 1 1 20 20 LYS CA C 20 60.917 60.917 59.341 1.576 25439 21929 1 30 . 1 1 20 20 LYS CB C 20 30.210 30.210 30.295 -0.085 25439 21930 1 30 . 1 1 20 20 LYS H H 20 7.666 7.666 7.620 0.046 25439 21931 1 30 . 1 1 21 21 PRO HA H 21 4.292 4.292 4.514 -0.222 25439 21932 1 30 . 1 1 21 21 PRO CA C 21 66.990 66.990 65.156 1.834 25439 21933 1 30 . 1 1 21 21 PRO CB C 21 30.779 30.779 31.516 -0.737 25439 21934 1 30 . 1 1 22 22 THR N N 22 114.917 114.917 115.245 -0.328 25439 21935 1 30 . 1 1 22 22 THR HA H 22 3.866 3.866 4.061 -0.195 25439 21936 1 30 . 1 1 22 22 THR CA C 22 66.575 66.575 67.022 -0.447 25439 21937 1 30 . 1 1 22 22 THR CB C 22 68.731 68.731 68.305 0.426 25439 21938 1 30 . 1 1 22 22 THR H H 22 7.331 7.331 8.348 -1.017 25439 21939 1 30 . 1 1 23 23 LEU N N 23 120.152 120.152 120.614 -0.462 25439 21940 1 30 . 1 1 23 23 LEU HA H 23 4.397 4.397 3.829 0.568 25439 21941 1 30 . 1 1 23 23 LEU CA C 23 58.740 58.740 57.749 0.991 25439 21942 1 30 . 1 1 23 23 LEU CB C 23 40.489 40.489 41.897 -1.408 25439 21943 1 30 . 1 1 23 23 LEU H H 23 7.991 7.991 7.448 0.543 25439 21944 1 30 . 1 1 24 24 THR N N 24 119.365 119.365 114.743 4.622 25439 21945 1 30 . 1 1 24 24 THR HA H 24 4.095 4.095 3.999 0.096 25439 21946 1 30 . 1 1 24 24 THR CA C 24 66.834 66.834 65.795 1.039 25439 21947 1 30 . 1 1 24 24 THR CB C 24 68.614 68.614 67.892 0.722 25439 21948 1 30 . 1 1 24 24 THR H H 24 9.175 9.175 7.635 1.540 25439 21949 1 30 . 1 1 25 25 ASP N N 25 122.865 122.865 121.476 1.389 25439 21950 1 30 . 1 1 25 25 ASP HA H 25 4.483 4.483 4.384 0.099 25439 21951 1 30 . 1 1 25 25 ASP CA C 25 58.158 58.158 57.016 1.142 25439 21952 1 30 . 1 1 25 25 ASP CB C 25 40.329 40.329 40.705 -0.376 25439 21953 1 30 . 1 1 25 25 ASP H H 25 7.714 7.714 7.712 0.002 25439 21954 1 30 . 1 1 26 26 PHE N N 26 116.182 116.182 118.265 -2.083 25439 21955 1 30 . 1 1 26 26 PHE HA H 26 4.457 4.457 4.160 0.297 25439 21956 1 30 . 1 1 26 26 PHE CA C 26 62.531 62.531 61.694 0.837 25439 21957 1 30 . 1 1 26 26 PHE CB C 26 39.468 39.468 38.802 0.666 25439 21958 1 30 . 1 1 26 26 PHE H H 26 7.816 7.816 7.853 -0.037 25439 21959 1 30 . 1 1 27 27 GLU N N 27 120.107 120.107 118.322 1.785 25439 21960 1 30 . 1 1 27 27 GLU HA H 27 4.113 4.113 4.000 0.113 25439 21961 1 30 . 1 1 27 27 GLU CA C 27 59.852 59.852 59.303 0.549 25439 21962 1 30 . 1 1 27 27 GLU CB C 27 29.692 29.692 29.366 0.326 25439 21963 1 30 . 1 1 27 27 GLU H H 27 8.068 8.068 7.968 0.100 25439 21964 1 30 . 1 1 28 28 ILE N N 28 121.494 121.494 118.935 2.559 25439 21965 1 30 . 1 1 28 28 ILE HA H 28 3.718 3.718 3.765 -0.047 25439 21966 1 30 . 1 1 28 28 ILE CA C 28 65.002 65.002 63.403 1.599 25439 21967 1 30 . 1 1 28 28 ILE CB C 28 38.023 38.023 36.778 1.246 25439 21968 1 30 . 1 1 28 28 ILE H H 28 8.531 8.531 7.822 0.709 25439 21969 1 30 . 1 1 29 29 GLN N N 29 118.941 118.941 119.613 -0.672 25439 21970 1 30 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.088 0.092 25439 21971 1 30 . 1 1 29 29 GLN CA C 29 59.507 59.507 58.908 0.599 25439 21972 1 30 . 1 1 29 29 GLN CB C 29 29.783 29.783 28.267 1.516 25439 21973 1 30 . 1 1 29 29 GLN H H 29 8.117 8.117 7.535 0.582 25439 21974 1 30 . 1 1 30 30 LEU N N 30 121.724 121.724 120.502 1.222 25439 21975 1 30 . 1 1 30 30 LEU HA H 30 4.032 4.032 3.948 0.084 25439 21976 1 30 . 1 1 30 30 LEU CA C 30 58.333 58.333 58.391 -0.058 25439 21977 1 30 . 1 1 30 30 LEU CB C 30 42.339 42.339 41.886 0.453 25439 21978 1 30 . 1 1 30 30 LEU H H 30 8.677 8.677 8.294 0.383 25439 21979 1 30 . 1 1 31 31 ARG N N 31 120.629 120.629 119.766 0.863 25439 21980 1 30 . 1 1 31 31 ARG HA H 31 4.105 4.105 4.071 0.034 25439 21981 1 30 . 1 1 31 31 ARG CA C 31 59.340 59.340 60.014 -0.674 25439 21982 1 30 . 1 1 31 31 ARG CB C 31 30.044 30.044 29.848 0.196 25439 21983 1 30 . 1 1 31 31 ARG H H 31 8.227 8.227 8.404 -0.177 25439 21984 1 30 . 1 1 32 32 ASP N N 32 120.233 120.233 119.712 0.521 25439 21985 1 30 . 1 1 32 32 ASP HA H 32 4.484 4.484 4.368 0.116 25439 21986 1 30 . 1 1 32 32 ASP CA C 32 57.199 57.199 57.704 -0.505 25439 21987 1 30 . 1 1 32 32 ASP CB C 32 40.202 40.202 40.220 -0.018 25439 21988 1 30 . 1 1 32 32 ASP H H 32 8.407 8.407 7.790 0.617 25439 21989 1 30 . 1 1 33 33 ALA N N 33 121.939 121.939 122.446 -0.507 25439 21990 1 30 . 1 1 33 33 ALA HA H 33 4.321 4.321 3.887 0.434 25439 21991 1 30 . 1 1 33 33 ALA CA C 33 54.207 54.207 55.273 -1.066 25439 21992 1 30 . 1 1 33 33 ALA CB C 33 18.738 18.738 18.490 0.248 25439 21993 1 30 . 1 1 33 33 ALA H H 33 8.057 8.057 7.532 0.525 25439 21994 1 30 . 1 1 34 34 GLN N N 34 114.736 114.736 117.658 -2.922 25439 21995 1 30 . 1 1 34 34 GLN HA H 34 4.248 4.248 4.007 0.241 25439 21996 1 30 . 1 1 34 34 GLN CA C 34 56.567 56.567 59.003 -2.436 25439 21997 1 30 . 1 1 34 34 GLN CB C 34 29.743 29.743 28.728 1.015 25439 21998 1 30 . 1 1 34 34 GLN H H 34 7.746 7.746 8.603 -0.857 25439 21999 1 30 . 1 1 35 35 LYS N N 35 120.534 120.534 117.724 2.810 25439 22000 1 30 . 1 1 35 35 LYS HA H 35 4.232 4.232 4.220 0.012 25439 22001 1 30 . 1 1 35 35 LYS CA C 35 57.427 57.427 58.017 -0.590 25439 22002 1 30 . 1 1 35 35 LYS CB C 35 32.887 32.887 32.453 0.434 25439 22003 1 30 . 1 1 35 35 LYS H H 35 7.570 7.570 7.798 -0.228 25439 22004 1 30 . 1 1 36 36 ASP N N 36 120.943 120.943 120.539 0.404 25439 22005 1 30 . 1 1 36 36 ASP HA H 36 4.595 4.595 4.408 0.187 25439 22006 1 30 . 1 1 36 36 ASP CA C 36 54.983 54.983 56.377 -1.394 25439 22007 1 30 . 1 1 36 36 ASP CB C 36 41.129 41.129 40.853 0.276 25439 22008 1 30 . 1 1 36 36 ASP H H 36 8.375 8.375 8.240 0.135 25439 22009 1 30 . 1 1 37 37 LYS N N 37 122.598 122.598 118.291 4.307 25439 22010 1 30 . 1 1 37 37 LYS HA H 37 4.365 4.365 4.014 0.351 25439 22011 1 30 . 1 1 37 37 LYS CA C 37 56.725 56.725 57.998 -1.273 25439 22012 1 30 . 1 1 37 37 LYS CB C 37 32.823 32.823 32.998 -0.175 25439 22013 1 30 . 1 1 37 37 LYS H H 37 8.446 8.446 7.668 0.778 25439 22014 1 30 . 1 1 38 38 SER N N 38 115.849 115.849 112.310 3.539 25439 22015 1 30 . 1 1 38 38 SER HA H 38 4.423 4.423 4.168 0.255 25439 22016 1 30 . 1 1 38 38 SER CA C 38 59.193 59.193 58.820 0.373 25439 22017 1 30 . 1 1 38 38 SER CB C 38 63.744 63.744 63.155 0.589 25439 22018 1 30 . 1 1 38 38 SER H H 38 8.392 8.392 8.220 0.172 25439 22019 1 30 . 1 1 39 39 SER N N 39 117.258 117.258 115.457 1.801 25439 22020 1 30 . 1 1 39 39 SER HA H 39 4.445 4.445 4.608 -0.163 25439 22021 1 30 . 1 1 39 39 SER CA C 39 58.933 58.933 57.754 1.179 25439 22022 1 30 . 1 1 39 39 SER CB C 39 63.711 63.711 64.820 -1.109 25439 22023 1 30 . 1 1 39 39 SER H H 39 8.283 8.283 8.237 0.046 25439 22024 1 30 . 1 1 40 40 LYS N N 40 122.427 122.427 120.373 2.054 25439 22025 1 30 . 1 1 40 40 LYS HA H 40 4.321 4.321 4.016 0.305 25439 22026 1 30 . 1 1 40 40 LYS CA C 40 56.847 56.847 57.405 -0.558 25439 22027 1 30 . 1 1 40 40 LYS CB C 40 32.764 32.764 31.327 1.437 25439 22028 1 30 . 1 1 40 40 LYS H H 40 8.263 8.263 8.654 -0.391 25439 22029 1 30 . 1 1 41 41 LEU N N 41 121.281 121.281 120.663 0.618 25439 22030 1 30 . 1 1 41 41 LEU HA H 41 4.308 4.308 4.444 -0.136 25439 22031 1 30 . 1 1 41 41 LEU CA C 41 55.335 55.335 54.804 0.531 25439 22032 1 30 . 1 1 41 41 LEU CB C 41 42.212 42.212 43.111 -0.899 25439 22033 1 30 . 1 1 41 41 LEU H H 41 8.068 8.068 7.830 0.238 25439 22034 1 30 . 1 1 42 42 ALA N N 42 123.964 123.964 127.144 -3.180 25439 22035 1 30 . 1 1 42 42 ALA HA H 42 4.274 4.274 4.481 -0.207 25439 22036 1 30 . 1 1 42 42 ALA CA C 42 52.851 52.851 51.819 1.032 25439 22037 1 30 . 1 1 42 42 ALA CB C 42 19.135 19.135 18.931 0.204 25439 22038 1 30 . 1 1 42 42 ALA H H 42 8.111 8.111 8.177 -0.066 25439 22039 1 30 . 1 1 43 43 ALA N N 43 122.146 122.146 127.476 -5.330 25439 22040 1 30 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.343 -0.046 25439 22041 1 30 . 1 1 43 43 ALA CA C 43 52.727 52.727 52.478 0.249 25439 22042 1 30 . 1 1 43 43 ALA CB C 43 19.318 19.318 20.241 -0.923 25439 22043 1 30 . 1 1 43 43 ALA H H 43 8.101 8.101 8.244 -0.143 25439 22044 1 30 . 1 1 44 44 LYS N N 44 119.454 119.454 121.439 -1.985 25439 22045 1 30 . 1 1 44 44 LYS HA H 44 4.349 4.349 3.970 0.379 25439 22046 1 30 . 1 1 44 44 LYS CA C 44 56.267 56.267 56.888 -0.621 25439 22047 1 30 . 1 1 44 44 LYS CB C 44 32.825 32.825 31.389 1.437 25439 22048 1 30 . 1 1 44 44 LYS H H 44 8.198 8.198 8.542 -0.344 25439 22049 1 30 . 1 1 45 45 SER N N 45 116.660 116.660 114.958 1.702 25439 22050 1 30 . 1 1 45 45 SER HA H 45 4.368 4.368 4.294 0.074 25439 22051 1 30 . 1 1 45 45 SER CA C 45 58.477 58.477 60.399 -1.922 25439 22052 1 30 . 1 1 45 45 SER CB C 45 64.063 64.063 63.810 0.253 25439 22053 1 30 . 1 1 45 45 SER H H 45 8.251 8.251 8.428 -0.177 25439 22054 1 30 . 1 1 46 46 ASN N N 46 120.516 120.516 120.164 0.352 25439 22055 1 30 . 1 1 46 46 ASN HA H 46 4.361 4.361 4.107 0.254 25439 22056 1 30 . 1 1 46 46 ASN CA C 46 54.657 54.657 56.110 -1.453 25439 22057 1 30 . 1 1 46 46 ASN CB C 46 37.649 37.649 37.766 -0.117 25439 22058 1 30 . 1 1 46 46 ASN H H 46 8.498 8.498 8.653 -0.155 25439 22059 1 30 . 1 1 47 47 GLU N N 47 117.964 117.964 117.454 0.510 25439 22060 1 30 . 1 1 47 47 GLU HA H 47 3.350 3.350 3.204 0.146 25439 22061 1 30 . 1 1 47 47 GLU CA C 47 59.213 59.213 59.038 0.175 25439 22062 1 30 . 1 1 47 47 GLU CB C 47 28.998 28.998 29.000 -0.002 25439 22063 1 30 . 1 1 47 47 GLU H H 47 8.016 8.016 8.159 -0.143 25439 22064 1 30 . 1 1 48 48 GLN N N 48 119.468 119.468 119.376 0.092 25439 22065 1 30 . 1 1 48 48 GLN HA H 48 4.250 4.250 4.063 0.187 25439 22066 1 30 . 1 1 48 48 GLN CA C 48 58.529 58.529 58.163 0.366 25439 22067 1 30 . 1 1 48 48 GLN CB C 48 28.902 28.902 28.289 0.613 25439 22068 1 30 . 1 1 48 48 GLN H H 48 7.892 7.892 7.492 0.400 25439 22069 1 30 . 1 1 49 49 LEU N N 49 120.145 120.145 120.246 -0.101 25439 22070 1 30 . 1 1 49 49 LEU HA H 49 4.232 4.232 3.957 0.275 25439 22071 1 30 . 1 1 49 49 LEU CA C 49 57.479 57.479 57.682 -0.203 25439 22072 1 30 . 1 1 49 49 LEU CB C 49 41.391 41.391 41.716 -0.325 25439 22073 1 30 . 1 1 49 49 LEU H H 49 7.699 7.699 8.504 -0.805 25439 22074 1 30 . 1 1 50 50 TRP N N 50 119.596 119.596 117.591 2.005 25439 22075 1 30 . 1 1 50 50 TRP HA H 50 4.520 4.520 4.521 -0.001 25439 22076 1 30 . 1 1 50 50 TRP CA C 50 58.353 58.353 57.202 1.151 25439 22077 1 30 . 1 1 50 50 TRP CB C 50 28.880 28.880 27.988 0.892 25439 22078 1 30 . 1 1 50 50 TRP H H 50 8.385 8.385 7.858 0.527 25439 22079 1 30 . 1 1 51 51 GLU N N 51 119.362 119.362 119.215 0.147 25439 22080 1 30 . 1 1 51 51 GLU HA H 51 4.145 4.145 4.128 0.017 25439 22081 1 30 . 1 1 51 51 GLU CA C 51 60.035 60.035 59.363 0.672 25439 22082 1 30 . 1 1 51 51 GLU CB C 51 29.675 29.675 29.031 0.644 25439 22083 1 30 . 1 1 51 51 GLU H H 51 8.223 8.223 7.808 0.415 25439 22084 1 30 . 1 1 52 52 ILE N N 52 119.018 119.018 119.454 -0.436 25439 22085 1 30 . 1 1 52 52 ILE HA H 52 3.673 3.673 3.696 -0.023 25439 22086 1 30 . 1 1 52 52 ILE CA C 52 65.511 65.511 65.090 0.421 25439 22087 1 30 . 1 1 52 52 ILE CB C 52 38.532 38.532 38.134 0.398 25439 22088 1 30 . 1 1 52 52 ILE H H 52 7.801 7.801 7.571 0.230 25439 22089 1 30 . 1 1 53 53 MET N N 53 118.133 118.133 117.268 0.865 25439 22090 1 30 . 1 1 53 53 MET HA H 53 4.452 4.452 4.078 0.374 25439 22091 1 30 . 1 1 53 53 MET CA C 53 58.216 58.216 58.682 -0.466 25439 22092 1 30 . 1 1 53 53 MET CB C 53 31.838 31.838 31.555 0.283 25439 22093 1 30 . 1 1 53 53 MET H H 53 8.411 8.411 7.710 0.701 25439 22094 1 30 . 1 1 54 54 GLN N N 54 120.855 120.855 119.260 1.595 25439 22095 1 30 . 1 1 54 54 GLN HA H 54 4.333 4.333 4.034 0.299 25439 22096 1 30 . 1 1 54 54 GLN CA C 54 59.004 59.004 58.947 0.057 25439 22097 1 30 . 1 1 54 54 GLN CB C 54 27.824 27.824 28.509 -0.685 25439 22098 1 30 . 1 1 54 54 GLN H H 54 8.860 8.860 8.259 0.601 25439 22099 1 30 . 1 1 55 55 LEU N N 55 122.788 122.788 119.933 2.855 25439 22100 1 30 . 1 1 55 55 LEU HA H 55 4.302 4.302 4.151 0.151 25439 22101 1 30 . 1 1 55 55 LEU CA C 55 58.685 58.685 57.372 1.313 25439 22102 1 30 . 1 1 55 55 LEU CB C 55 42.695 42.695 40.581 2.114 25439 22103 1 30 . 1 1 55 55 LEU H H 55 8.298 8.298 8.050 0.248 25439 22104 1 30 . 1 1 56 56 HIS N N 56 118.426 118.426 118.620 -0.194 25439 22105 1 30 . 1 1 56 56 HIS HA H 56 4.317 4.317 4.289 0.028 25439 22106 1 30 . 1 1 56 56 HIS CA C 56 60.732 60.732 60.446 0.286 25439 22107 1 30 . 1 1 56 56 HIS CB C 56 30.530 30.530 29.767 0.763 25439 22108 1 30 . 1 1 56 56 HIS H H 56 8.416 8.416 8.018 0.398 25439 22109 1 30 . 1 1 57 57 HIS N N 57 121.197 121.197 119.329 1.868 25439 22110 1 30 . 1 1 57 57 HIS HA H 57 4.318 4.318 4.664 -0.346 25439 22111 1 30 . 1 1 57 57 HIS CA C 57 60.739 60.739 58.512 2.227 25439 22112 1 30 . 1 1 57 57 HIS CB C 57 28.726 28.726 30.329 -1.603 25439 22113 1 30 . 1 1 57 57 HIS H H 57 8.608 8.608 8.255 0.353 25439 22114 1 30 . 1 1 58 58 GLN N N 58 118.739 118.739 119.051 -0.312 25439 22115 1 30 . 1 1 58 58 GLN HA H 58 4.202 4.202 4.282 -0.080 25439 22116 1 30 . 1 1 58 58 GLN CA C 58 59.507 59.507 58.948 0.559 25439 22117 1 30 . 1 1 58 58 GLN CB C 58 29.111 29.111 28.639 0.472 25439 22118 1 30 . 1 1 58 58 GLN H H 58 9.206 9.206 8.117 1.089 25439 22119 1 30 . 1 1 59 59 ARG N N 59 122.498 122.498 120.505 1.993 25439 22120 1 30 . 1 1 59 59 ARG HA H 59 3.437 3.437 3.786 -0.349 25439 22121 1 30 . 1 1 59 59 ARG CA C 59 60.361 60.361 59.711 0.650 25439 22122 1 30 . 1 1 59 59 ARG H H 59 8.623 8.623 8.959 -0.336 25439 22123 1 30 . 1 1 60 60 SER N N 60 114.930 114.930 115.593 -0.663 25439 22124 1 30 . 1 1 60 60 SER HA H 60 4.515 4.515 4.257 0.258 25439 22125 1 30 . 1 1 60 60 SER CA C 60 64.832 64.832 61.564 3.268 25439 22126 1 30 . 1 1 60 60 SER CB C 60 63.583 63.583 63.178 0.404 25439 22127 1 30 . 1 1 60 60 SER H H 60 7.993 7.993 8.413 -0.420 25439 22128 1 30 . 1 1 61 61 ARG N N 61 124.417 124.417 122.395 2.022 25439 22129 1 30 . 1 1 61 61 ARG HA H 61 4.204 4.204 4.165 0.039 25439 22130 1 30 . 1 1 61 61 ARG CA C 61 58.852 58.852 59.702 -0.850 25439 22131 1 30 . 1 1 61 61 ARG CB C 61 29.077 29.077 30.194 -1.117 25439 22132 1 30 . 1 1 61 61 ARG H H 61 9.569 9.569 8.784 0.785 25439 22133 1 30 . 1 1 62 62 TYR N N 62 124.484 124.484 120.654 3.830 25439 22134 1 30 . 1 1 62 62 TYR HA H 62 4.676 4.676 4.280 0.396 25439 22135 1 30 . 1 1 62 62 TYR CA C 62 61.006 61.006 61.936 -0.930 25439 22136 1 30 . 1 1 62 62 TYR CB C 62 38.392 38.392 38.743 -0.351 25439 22137 1 30 . 1 1 62 62 TYR H H 62 8.622 8.622 8.024 0.598 25439 22138 1 30 . 1 1 63 63 ILE N N 63 119.789 119.789 119.085 0.704 25439 22139 1 30 . 1 1 63 63 ILE HA H 63 3.492 3.492 3.732 -0.240 25439 22140 1 30 . 1 1 63 63 ILE CA C 63 65.693 65.693 65.527 0.166 25439 22141 1 30 . 1 1 63 63 ILE CB C 63 38.023 38.023 38.286 -0.264 25439 22142 1 30 . 1 1 63 63 ILE H H 63 7.588 7.588 8.072 -0.484 25439 22143 1 30 . 1 1 64 64 TYR N N 64 120.485 120.485 120.802 -0.317 25439 22144 1 30 . 1 1 64 64 TYR HA H 64 4.577 4.577 4.415 0.162 25439 22145 1 30 . 1 1 64 64 TYR CA C 64 61.759 61.759 61.701 0.058 25439 22146 1 30 . 1 1 64 64 TYR CB C 64 39.772 39.772 38.446 1.326 25439 22147 1 30 . 1 1 64 64 TYR H H 64 9.166 9.166 9.215 -0.049 25439 22148 1 30 . 1 1 65 65 THR N N 65 117.072 117.072 116.380 0.692 25439 22149 1 30 . 1 1 65 65 THR HA H 65 3.562 3.562 3.999 -0.437 25439 22150 1 30 . 1 1 65 65 THR CA C 65 67.016 67.016 66.873 0.144 25439 22151 1 30 . 1 1 65 65 THR CB C 65 68.711 68.711 69.115 -0.404 25439 22152 1 30 . 1 1 65 65 THR H H 65 8.987 8.987 8.236 0.751 25439 22153 1 30 . 1 1 66 66 LEU N N 66 122.107 122.107 121.535 0.572 25439 22154 1 30 . 1 1 66 66 LEU HA H 66 3.782 3.782 4.233 -0.451 25439 22155 1 30 . 1 1 66 66 LEU CA C 66 58.476 58.476 58.121 0.355 25439 22156 1 30 . 1 1 66 66 LEU CB C 66 43.183 43.183 40.859 2.324 25439 22157 1 30 . 1 1 66 66 LEU H H 66 8.286 8.286 7.705 0.581 25439 22158 1 30 . 1 1 67 67 TYR N N 67 115.264 115.264 119.177 -3.913 25439 22159 1 30 . 1 1 67 67 TYR HA H 67 4.344 4.344 4.054 0.290 25439 22160 1 30 . 1 1 67 67 TYR CA C 67 60.830 60.830 61.613 -0.783 25439 22161 1 30 . 1 1 67 67 TYR CB C 67 40.376 40.376 39.403 0.973 25439 22162 1 30 . 1 1 67 67 TYR H H 67 7.983 7.983 8.357 -0.374 25439 22163 1 30 . 1 1 68 68 TYR N N 68 113.945 113.945 116.155 -2.210 25439 22164 1 30 . 1 1 68 68 TYR HA H 68 3.699 3.699 4.188 -0.489 25439 22165 1 30 . 1 1 68 68 TYR CA C 68 62.030 62.030 60.334 1.696 25439 22166 1 30 . 1 1 68 68 TYR CB C 68 38.046 38.046 38.711 -0.665 25439 22167 1 30 . 1 1 68 68 TYR H H 68 8.297 8.297 7.584 0.713 25439 22168 1 30 . 1 1 69 69 LYS N N 69 114.346 114.346 118.626 -4.280 25439 22169 1 30 . 1 1 69 69 LYS HA H 69 4.564 4.564 4.321 0.243 25439 22170 1 30 . 1 1 69 69 LYS CA C 69 56.821 56.821 56.867 -0.046 25439 22171 1 30 . 1 1 69 69 LYS CB C 69 31.980 31.980 33.155 -1.175 25439 22172 1 30 . 1 1 69 69 LYS H H 69 7.084 7.084 7.459 -0.375 25439 22173 1 30 . 1 1 70 70 ARG N N 70 114.676 114.676 119.456 -4.780 25439 22174 1 30 . 1 1 70 70 ARG HA H 70 4.251 4.251 4.122 0.129 25439 22175 1 30 . 1 1 70 70 ARG CA C 70 56.314 56.314 57.251 -0.937 25439 22176 1 30 . 1 1 70 70 ARG CB C 70 31.128 31.128 30.709 0.419 25439 22177 1 30 . 1 1 70 70 ARG H H 70 8.178 8.178 8.161 0.017 25439 22178 1 30 . 1 1 71 71 LYS N N 71 115.371 115.371 115.608 -0.237 25439 22179 1 30 . 1 1 71 71 LYS HA H 71 4.036 4.036 3.793 0.243 25439 22180 1 30 . 1 1 71 71 LYS CA C 71 57.121 57.121 57.114 0.007 25439 22181 1 30 . 1 1 71 71 LYS CB C 71 28.897 28.897 30.459 -1.562 25439 22182 1 30 . 1 1 71 71 LYS H H 71 6.843 6.843 7.769 -0.926 25439 22183 1 30 . 1 1 72 72 ALA N N 72 117.701 117.701 121.016 -3.315 25439 22184 1 30 . 1 1 72 72 ALA HA H 72 4.395 4.395 4.466 -0.071 25439 22185 1 30 . 1 1 72 72 ALA CA C 72 52.597 52.597 52.034 0.563 25439 22186 1 30 . 1 1 72 72 ALA CB C 72 21.560 21.560 19.924 1.635 25439 22187 1 30 . 1 1 72 72 ALA H H 72 8.560 8.560 7.687 0.873 25439 22188 1 30 . 1 1 73 73 ILE N N 73 107.605 107.605 117.478 -9.873 25439 22189 1 30 . 1 1 73 73 ILE CB C 73 42.724 42.724 41.630 1.094 25439 22190 1 30 . 1 1 73 73 ILE H H 73 7.074 7.074 7.386 -0.312 25439 22191 1 30 . 1 1 74 74 SER N N 74 118.425 118.425 118.286 0.139 25439 22192 1 30 . 1 1 74 74 SER HA H 74 4.484 4.484 4.912 -0.428 25439 22193 1 30 . 1 1 74 74 SER CA C 74 57.082 57.082 56.901 0.181 25439 22194 1 30 . 1 1 74 74 SER CB C 74 65.396 65.396 65.579 -0.183 25439 22195 1 30 . 1 1 74 74 SER H H 74 8.797 8.797 8.387 0.410 25439 22196 1 30 . 1 1 75 75 LYS N N 75 121.891 121.891 124.351 -2.460 25439 22197 1 30 . 1 1 75 75 LYS HA H 75 3.851 3.851 4.158 -0.307 25439 22198 1 30 . 1 1 75 75 LYS CA C 75 59.624 59.624 59.998 -0.374 25439 22199 1 30 . 1 1 75 75 LYS CB C 75 32.368 32.368 32.456 -0.088 25439 22200 1 30 . 1 1 75 75 LYS H H 75 9.024 9.024 9.214 -0.190 25439 22201 1 30 . 1 1 76 76 ASP N N 76 115.908 115.908 118.055 -2.147 25439 22202 1 30 . 1 1 76 76 ASP HA H 76 4.423 4.423 4.415 0.008 25439 22203 1 30 . 1 1 76 76 ASP CA C 76 57.362 57.362 57.495 -0.133 25439 22204 1 30 . 1 1 76 76 ASP CB C 76 40.391 40.391 40.210 0.181 25439 22205 1 30 . 1 1 76 76 ASP H H 76 8.161 8.161 8.469 -0.308 25439 22206 1 30 . 1 1 77 77 LEU N N 77 121.705 121.705 120.905 0.800 25439 22207 1 30 . 1 1 77 77 LEU HA H 77 4.180 4.180 4.115 0.065 25439 22208 1 30 . 1 1 77 77 LEU CA C 77 57.818 57.818 57.826 -0.008 25439 22209 1 30 . 1 1 77 77 LEU H H 77 8.345 8.345 7.437 0.908 25439 22210 1 30 . 1 1 78 78 TYR N N 78 121.511 121.511 119.931 1.580 25439 22211 1 30 . 1 1 78 78 TYR HA H 78 3.789 3.789 3.981 -0.192 25439 22212 1 30 . 1 1 78 78 TYR CA C 78 62.857 62.857 60.675 2.183 25439 22213 1 30 . 1 1 78 78 TYR CB C 78 38.369 38.369 37.700 0.668 25439 22214 1 30 . 1 1 78 78 TYR H H 78 8.598 8.598 8.623 -0.025 25439 22215 1 30 . 1 1 79 79 ASP N N 79 117.189 117.189 119.704 -2.515 25439 22216 1 30 . 1 1 79 79 ASP HA H 79 4.066 4.066 4.011 0.055 25439 22217 1 30 . 1 1 79 79 ASP CA C 79 57.219 57.219 57.412 -0.193 25439 22218 1 30 . 1 1 79 79 ASP CB C 79 40.003 40.003 40.815 -0.812 25439 22219 1 30 . 1 1 79 79 ASP H H 79 9.106 9.106 8.510 0.596 25439 22220 1 30 . 1 1 80 80 TRP N N 80 123.400 123.400 122.634 0.766 25439 22221 1 30 . 1 1 80 80 TRP HA H 80 4.160 4.160 4.130 0.030 25439 22222 1 30 . 1 1 80 80 TRP CA C 80 62.368 62.368 61.784 0.584 25439 22223 1 30 . 1 1 80 80 TRP CB C 80 29.969 29.969 29.349 0.620 25439 22224 1 30 . 1 1 80 80 TRP H H 80 7.931 7.931 8.491 -0.560 25439 22225 1 30 . 1 1 81 81 LEU N N 81 119.674 119.674 118.820 0.854 25439 22226 1 30 . 1 1 81 81 LEU HA H 81 3.971 3.971 2.682 1.289 25439 22227 1 30 . 1 1 81 81 LEU CA C 81 58.294 58.294 57.542 0.751 25439 22228 1 30 . 1 1 81 81 LEU CB C 81 41.818 41.818 41.539 0.279 25439 22229 1 30 . 1 1 81 81 LEU H H 81 8.814 8.814 8.273 0.541 25439 22230 1 30 . 1 1 82 82 ILE N N 82 118.746 118.746 119.062 -0.316 25439 22231 1 30 . 1 1 82 82 ILE HA H 82 3.861 3.861 3.869 -0.008 25439 22232 1 30 . 1 1 82 82 ILE CA C 82 62.734 62.734 64.079 -1.345 25439 22233 1 30 . 1 1 82 82 ILE CB C 82 36.236 36.236 37.974 -1.738 25439 22234 1 30 . 1 1 82 82 ILE H H 82 7.886 7.886 7.591 0.295 25439 22235 1 30 . 1 1 83 83 LYS N N 83 124.819 124.819 119.072 5.747 25439 22236 1 30 . 1 1 83 83 LYS HA H 83 3.911 3.911 4.114 -0.203 25439 22237 1 30 . 1 1 83 83 LYS CA C 83 59.643 59.643 58.066 1.577 25439 22238 1 30 . 1 1 83 83 LYS CB C 83 32.027 32.027 32.733 -0.706 25439 22239 1 30 . 1 1 83 83 LYS H H 83 8.224 8.224 7.517 0.707 25439 22240 1 30 . 1 1 84 84 GLU N N 84 115.404 115.404 118.028 -2.624 25439 22241 1 30 . 1 1 84 84 GLU HA H 84 3.841 3.841 4.317 -0.476 25439 22242 1 30 . 1 1 84 84 GLU CA C 84 55.582 55.582 54.879 0.703 25439 22243 1 30 . 1 1 84 84 GLU CB C 84 29.459 29.459 28.531 0.928 25439 22244 1 30 . 1 1 84 84 GLU H H 84 8.138 8.138 7.262 0.876 25439 22245 1 30 . 1 1 85 85 LYS N N 85 111.563 111.563 118.013 -6.450 25439 22246 1 30 . 1 1 85 85 LYS HA H 85 3.820 3.820 4.015 -0.195 25439 22247 1 30 . 1 1 85 85 LYS CA C 85 57.890 57.890 57.281 0.609 25439 22248 1 30 . 1 1 85 85 LYS CB C 85 28.005 28.005 30.675 -2.670 25439 22249 1 30 . 1 1 85 85 LYS H H 85 7.719 7.719 7.887 -0.168 25439 22250 1 30 . 1 1 86 86 TYR N N 86 116.916 116.916 118.165 -1.249 25439 22251 1 30 . 1 1 86 86 TYR HA H 86 4.137 4.137 4.415 -0.278 25439 22252 1 30 . 1 1 86 86 TYR CA C 86 61.228 61.228 58.070 3.158 25439 22253 1 30 . 1 1 86 86 TYR CB C 86 39.535 39.535 40.778 -1.243 25439 22254 1 30 . 1 1 86 86 TYR H H 86 8.521 8.521 8.141 0.380 25439 22255 1 30 . 1 1 87 87 ALA N N 87 113.715 113.715 118.788 -5.073 25439 22256 1 30 . 1 1 87 87 ALA HA H 87 4.738 4.738 4.515 0.223 25439 22257 1 30 . 1 1 87 87 ALA CA C 87 49.121 49.121 50.576 -1.455 25439 22258 1 30 . 1 1 87 87 ALA CB C 87 23.295 23.295 21.811 1.484 25439 22259 1 30 . 1 1 87 87 ALA H H 87 6.959 6.959 7.657 -0.698 25439 22260 1 30 . 1 1 88 88 ASP N N 88 119.344 119.344 119.285 0.059 25439 22261 1 30 . 1 1 88 88 ASP HA H 88 4.544 4.544 4.834 -0.290 25439 22262 1 30 . 1 1 88 88 ASP CA C 88 52.714 52.714 53.283 -0.569 25439 22263 1 30 . 1 1 88 88 ASP CB C 88 41.845 41.845 43.862 -2.017 25439 22264 1 30 . 1 1 88 88 ASP H H 88 7.870 7.870 8.441 -0.571 25439 22265 1 30 . 1 1 89 89 LYS N N 89 125.312 125.312 125.520 -0.208 25439 22266 1 30 . 1 1 89 89 LYS HA H 89 3.834 3.834 4.170 -0.336 25439 22267 1 30 . 1 1 89 89 LYS CA C 89 59.409 59.409 59.365 0.044 25439 22268 1 30 . 1 1 89 89 LYS CB C 89 32.848 32.848 32.768 0.080 25439 22269 1 30 . 1 1 89 89 LYS H H 89 8.467 8.467 8.752 -0.285 25439 22270 1 30 . 1 1 90 90 LEU N N 90 119.899 119.899 121.191 -1.292 25439 22271 1 30 . 1 1 90 90 LEU HA H 90 4.023 4.023 4.011 0.011 25439 22272 1 30 . 1 1 90 90 LEU CA C 90 57.049 57.049 57.984 -0.935 25439 22273 1 30 . 1 1 90 90 LEU CB C 90 41.099 41.099 41.730 -0.631 25439 22274 1 30 . 1 1 90 90 LEU H H 90 8.076 8.076 7.833 0.243 25439 22275 1 30 . 1 1 91 91 LEU N N 91 123.148 123.148 120.186 2.962 25439 22276 1 30 . 1 1 91 91 LEU HA H 91 3.498 3.498 3.776 -0.278 25439 22277 1 30 . 1 1 91 91 LEU CA C 91 56.971 56.971 57.717 -0.746 25439 22278 1 30 . 1 1 91 91 LEU CB C 91 41.823 41.823 41.709 0.114 25439 22279 1 30 . 1 1 91 91 LEU H H 91 7.120 7.120 7.778 -0.658 25439 22280 1 30 . 1 1 92 92 ILE N N 92 116.780 116.780 118.548 -1.768 25439 22281 1 30 . 1 1 92 92 ILE HA H 92 3.265 3.265 3.592 -0.327 25439 22282 1 30 . 1 1 92 92 ILE CA C 92 65.178 65.178 65.193 -0.015 25439 22283 1 30 . 1 1 92 92 ILE CB C 92 38.209 38.209 37.505 0.704 25439 22284 1 30 . 1 1 92 92 ILE H H 92 7.384 7.384 7.641 -0.257 25439 22285 1 30 . 1 1 93 93 ALA N N 93 117.061 117.061 122.267 -5.206 25439 22286 1 30 . 1 1 93 93 ALA HA H 93 3.930 3.930 4.022 -0.092 25439 22287 1 30 . 1 1 93 93 ALA CA C 93 54.839 54.839 55.402 -0.563 25439 22288 1 30 . 1 1 93 93 ALA CB C 93 18.125 18.125 18.145 -0.020 25439 22289 1 30 . 1 1 93 93 ALA H H 93 7.437 7.437 8.644 -1.207 25439 22290 1 30 . 1 1 94 94 LYS N N 94 116.036 116.036 118.909 -2.873 25439 22291 1 30 . 1 1 94 94 LYS HA H 94 3.803 3.803 3.527 0.276 25439 22292 1 30 . 1 1 94 94 LYS CA C 94 56.945 56.945 58.429 -1.484 25439 22293 1 30 . 1 1 94 94 LYS CB C 94 31.047 31.047 31.511 -0.464 25439 22294 1 30 . 1 1 94 94 LYS H H 94 7.012 7.012 7.545 -0.533 25439 22295 1 30 . 1 1 95 95 TRP N N 95 118.700 118.700 116.653 2.047 25439 22296 1 30 . 1 1 95 95 TRP HA H 95 4.814 4.814 4.534 0.280 25439 22297 1 30 . 1 1 95 95 TRP CA C 95 57.136 57.136 59.155 -2.019 25439 22298 1 30 . 1 1 95 95 TRP CB C 95 28.171 28.171 29.071 -0.900 25439 22299 1 30 . 1 1 95 95 TRP H H 95 7.611 7.611 7.441 0.170 25439 22300 1 30 . 1 1 96 96 ARG N N 96 113.031 113.031 116.623 -3.592 25439 22301 1 30 . 1 1 96 96 ARG HA H 96 4.233 4.233 4.207 0.026 25439 22302 1 30 . 1 1 96 96 ARG CA C 96 56.234 56.234 58.234 -2.001 25439 22303 1 30 . 1 1 96 96 ARG CB C 96 30.245 30.245 30.491 -0.245 25439 22304 1 30 . 1 1 96 96 ARG H H 96 7.066 7.066 7.437 -0.371 25439 22305 1 30 . 1 1 97 97 LYS N N 97 123.252 123.252 119.235 4.017 25439 22306 1 30 . 1 1 97 97 LYS HA H 97 4.634 4.634 4.283 0.351 25439 22307 1 30 . 1 1 97 97 LYS CA C 97 54.937 54.937 57.069 -2.132 25439 22308 1 30 . 1 1 97 97 LYS CB C 97 34.166 34.166 32.877 1.289 25439 22309 1 30 . 1 1 97 97 LYS H H 97 8.467 8.467 8.237 0.230 25439 22310 1 30 . 1 1 98 98 THR N N 98 119.993 119.993 111.862 8.131 25439 22311 1 30 . 1 1 98 98 THR HA H 98 4.224 4.224 4.463 -0.239 25439 22312 1 30 . 1 1 98 98 THR CA C 98 64.670 64.670 61.751 2.919 25439 22313 1 30 . 1 1 98 98 THR CB C 98 69.200 69.200 69.604 -0.404 25439 22314 1 30 . 1 1 98 98 THR H H 98 8.329 8.329 8.179 0.150 25439 22315 1 30 . 1 1 99 99 GLY N N 99 116.645 116.645 112.560 4.085 25439 22316 1 30 . 1 1 99 99 GLY CA C 99 45.047 45.047 44.869 0.178 25439 22317 1 30 . 1 1 99 99 GLY H H 99 9.273 9.273 8.768 0.505 25439 22318 1 30 . 1 1 100 100 TYR N N 100 120.784 120.784 119.987 0.797 25439 22319 1 30 . 1 1 100 100 TYR HA H 100 4.704 4.704 4.792 -0.088 25439 22320 1 30 . 1 1 100 100 TYR CA C 100 57.697 57.697 55.903 1.794 25439 22321 1 30 . 1 1 100 100 TYR CB C 100 39.413 39.413 37.282 2.131 25439 22322 1 30 . 1 1 100 100 TYR H H 100 8.457 8.457 8.157 0.300 25439 22323 1 30 . 1 1 101 101 GLU N N 101 119.482 119.482 122.089 -2.607 25439 22324 1 30 . 1 1 101 101 GLU HA H 101 4.601 4.601 4.564 0.037 25439 22325 1 30 . 1 1 101 101 GLU CA C 101 61.207 61.207 57.065 4.142 25439 22326 1 30 . 1 1 101 101 GLU CB C 101 29.648 29.648 30.444 -0.795 25439 22327 1 30 . 1 1 101 101 GLU H H 101 9.836 9.836 8.629 1.207 25439 22328 1 30 . 1 1 102 102 LYS N N 102 115.179 115.179 120.926 -5.747 25439 22329 1 30 . 1 1 102 102 LYS HA H 102 4.295 4.295 4.661 -0.366 25439 22330 1 30 . 1 1 102 102 LYS CA C 102 54.207 54.207 55.710 -1.503 25439 22331 1 30 . 1 1 102 102 LYS CB C 102 32.489 32.489 32.845 -0.356 25439 22332 1 30 . 1 1 102 102 LYS H H 102 8.291 8.291 7.935 0.356 25439 22333 1 30 . 1 1 103 103 LEU N N 103 119.637 119.637 116.934 2.703 25439 22334 1 30 . 1 1 103 103 LEU HA H 103 4.385 4.385 4.963 -0.578 25439 22335 1 30 . 1 1 103 103 LEU CA C 103 56.549 56.549 53.850 2.699 25439 22336 1 30 . 1 1 103 103 LEU CB C 103 43.864 43.864 44.376 -0.512 25439 22337 1 30 . 1 1 103 103 LEU H H 103 7.642 7.642 7.658 -0.016 25439 22338 1 30 . 1 1 104 104 CYS N N 104 129.651 129.651 116.541 13.110 25439 22339 1 30 . 1 1 104 104 CYS HA H 104 4.498 4.498 5.125 -0.627 25439 22340 1 30 . 1 1 104 104 CYS CA C 104 58.076 58.076 58.482 -0.406 25439 22341 1 30 . 1 1 104 104 CYS CB C 104 32.301 32.301 28.137 4.164 25439 22342 1 30 . 1 1 104 104 CYS H H 104 8.638 8.638 8.912 -0.274 25439 22343 1 30 . 1 1 105 105 CYS N N 105 120.206 120.206 118.261 1.945 25439 22344 1 30 . 1 1 105 105 CYS HA H 105 4.806 4.806 4.771 0.035 25439 22345 1 30 . 1 1 105 105 CYS CA C 105 58.271 58.271 56.934 1.337 25439 22346 1 30 . 1 1 105 105 CYS CB C 105 32.062 32.062 29.902 2.160 25439 22347 1 30 . 1 1 105 105 CYS H H 105 8.158 8.158 7.948 0.210 25439 22348 1 30 . 1 1 106 106 LEU N N 106 115.513 115.513 120.943 -5.430 25439 22349 1 30 . 1 1 106 106 LEU HA H 106 4.054 4.054 4.210 -0.156 25439 22350 1 30 . 1 1 106 106 LEU CA C 106 56.110 56.110 56.521 -0.411 25439 22351 1 30 . 1 1 106 106 LEU CB C 106 41.227 41.227 42.313 -1.086 25439 22352 1 30 . 1 1 106 106 LEU H H 106 8.466 8.466 8.115 0.351 25439 22353 1 30 . 1 1 107 107 ARG N N 107 122.711 122.711 119.223 3.488 25439 22354 1 30 . 1 1 107 107 ARG HA H 107 3.993 3.993 4.324 -0.331 25439 22355 1 30 . 1 1 107 107 ARG CA C 107 58.311 58.311 56.415 1.896 25439 22356 1 30 . 1 1 107 107 ARG CB C 107 28.965 28.965 29.582 -0.617 25439 22357 1 30 . 1 1 107 107 ARG H H 107 8.131 8.131 8.172 -0.041 25439 22358 1 30 . 1 1 108 108 CYS N N 108 119.055 119.055 117.804 1.251 25439 22359 1 30 . 1 1 108 108 CYS HA H 108 4.101 4.101 4.721 -0.620 25439 22360 1 30 . 1 1 108 108 CYS CA C 108 63.936 63.936 57.583 6.353 25439 22361 1 30 . 1 1 108 108 CYS CB C 108 30.934 30.934 27.365 3.569 25439 22362 1 30 . 1 1 108 108 CYS H H 108 8.010 8.010 7.905 0.105 25439 22363 1 30 . 1 1 109 109 ILE N N 109 107.315 107.315 113.419 -6.104 25439 22364 1 30 . 1 1 109 109 ILE HA H 109 4.684 4.684 4.446 0.238 25439 22365 1 30 . 1 1 109 109 ILE CA C 109 60.483 60.483 61.104 -0.621 25439 22366 1 30 . 1 1 109 109 ILE CB C 109 38.320 38.320 38.925 -0.605 25439 22367 1 30 . 1 1 109 109 ILE H H 109 7.105 7.105 7.472 -0.367 25439 22368 1 30 . 1 1 110 110 GLN N N 110 122.468 122.468 121.631 0.837 25439 22369 1 30 . 1 1 110 110 GLN HA H 110 4.268 4.268 4.491 -0.223 25439 22370 1 30 . 1 1 110 110 GLN CA C 110 55.981 55.981 55.288 0.693 25439 22371 1 30 . 1 1 110 110 GLN CB C 110 29.656 29.656 28.641 1.015 25439 22372 1 30 . 1 1 110 110 GLN H H 110 7.156 7.156 8.228 -1.072 25439 22373 1 30 . 1 1 111 111 LYS N N 111 124.650 124.650 124.240 0.410 25439 22374 1 30 . 1 1 111 111 LYS HA H 111 4.246 4.246 4.421 -0.175 25439 22375 1 30 . 1 1 111 111 LYS CA C 111 56.546 56.546 56.193 0.353 25439 22376 1 30 . 1 1 111 111 LYS CB C 111 32.846 32.846 33.540 -0.694 25439 22377 1 30 . 1 1 111 111 LYS H H 111 8.522 8.522 8.549 -0.027 25439 22378 1 30 . 1 1 112 112 ASN N N 112 120.972 120.972 116.850 4.122 25439 22379 1 30 . 1 1 112 112 ASN HA H 112 4.778 4.778 4.444 0.334 25439 22380 1 30 . 1 1 112 112 ASN CA C 112 52.902 52.902 54.402 -1.500 25439 22381 1 30 . 1 1 112 112 ASN CB C 112 39.328 39.328 38.559 0.768 25439 22382 1 30 . 1 1 112 112 ASN H H 112 8.360 8.360 8.446 -0.086 25439 22383 1 30 . 1 1 113 113 GLU N N 113 121.710 121.710 120.165 1.545 25439 22384 1 30 . 1 1 113 113 GLU HA H 113 4.248 4.248 4.442 -0.194 25439 22385 1 30 . 1 1 113 113 GLU CA C 113 58.611 58.611 55.974 2.637 25439 22386 1 30 . 1 1 113 113 GLU CB C 113 29.590 29.590 31.433 -1.843 25439 22387 1 30 . 1 1 113 113 GLU H H 113 9.023 9.023 8.568 0.456 25439 22388 1 30 . 1 1 114 114 THR N N 114 112.186 112.186 115.491 -3.305 25439 22389 1 30 . 1 1 114 114 THR HA H 114 4.321 4.321 4.075 0.246 25439 22390 1 30 . 1 1 114 114 THR CA C 114 63.161 63.161 62.869 0.292 25439 22391 1 30 . 1 1 114 114 THR CB C 114 69.481 69.481 67.879 1.602 25439 22392 1 30 . 1 1 114 114 THR H H 114 8.112 8.112 8.386 -0.274 25439 22393 1 30 . 1 1 115 115 ASN N N 115 119.112 119.112 118.022 1.090 25439 22394 1 30 . 1 1 115 115 ASN HA H 115 4.829 4.829 4.888 -0.059 25439 22395 1 30 . 1 1 115 115 ASN CA C 115 53.110 53.110 52.252 0.858 25439 22396 1 30 . 1 1 115 115 ASN CB C 115 38.659 38.659 40.889 -2.230 25439 22397 1 30 . 1 1 115 115 ASN H H 115 8.047 8.047 8.278 -0.231 25439 22398 1 30 . 1 1 116 116 ASN N N 116 117.175 117.175 118.178 -1.003 25439 22399 1 30 . 1 1 116 116 ASN HA H 116 4.615 4.615 5.060 -0.445 25439 22400 1 30 . 1 1 116 116 ASN CA C 116 53.965 53.965 53.053 0.912 25439 22401 1 30 . 1 1 116 116 ASN CB C 116 38.173 38.173 40.411 -2.238 25439 22402 1 30 . 1 1 116 116 ASN H H 116 8.364 8.364 8.418 -0.054 25439 22403 1 30 . 1 1 117 117 GLY N N 117 107.294 107.294 107.959 -0.665 25439 22404 1 30 . 1 1 117 117 GLY CA C 117 45.882 45.882 44.661 1.221 25439 22405 1 30 . 1 1 117 117 GLY H H 117 8.264 8.264 8.318 -0.054 25439 22406 1 30 . 1 1 118 118 SER N N 118 115.475 115.475 116.580 -1.105 25439 22407 1 30 . 1 1 118 118 SER HA H 118 4.586 4.586 4.752 -0.166 25439 22408 1 30 . 1 1 118 118 SER CA C 118 57.974 57.974 58.086 -0.112 25439 22409 1 30 . 1 1 118 118 SER CB C 118 64.479 64.479 65.287 -0.808 25439 22410 1 30 . 1 1 118 118 SER H H 118 7.905 7.905 8.319 -0.414 25439 22411 1 30 . 1 1 119 119 THR N N 119 111.360 111.360 115.790 -4.430 25439 22412 1 30 . 1 1 119 119 THR HA H 119 4.450 4.450 4.661 -0.211 25439 22413 1 30 . 1 1 119 119 THR CA C 119 61.215 61.215 61.267 -0.052 25439 22414 1 30 . 1 1 119 119 THR CB C 119 70.569 70.569 70.985 -0.416 25439 22415 1 30 . 1 1 119 119 THR H H 119 8.044 8.044 8.160 -0.116 25439 22416 1 30 . 1 1 120 120 CYS N N 120 122.708 122.708 120.636 2.072 25439 22417 1 30 . 1 1 120 120 CYS HA H 120 4.255 4.255 4.824 -0.569 25439 22418 1 30 . 1 1 120 120 CYS CA C 120 61.469 61.469 57.608 3.861 25439 22419 1 30 . 1 1 120 120 CYS CB C 120 30.892 30.892 29.024 1.868 25439 22420 1 30 . 1 1 120 120 CYS H H 120 8.045 8.045 8.464 -0.419 25439 22421 1 30 . 1 1 121 121 ILE N N 121 132.463 132.463 123.453 9.010 25439 22422 1 30 . 1 1 121 121 ILE HA H 121 4.025 4.025 3.925 0.100 25439 22423 1 30 . 1 1 121 121 ILE CA C 121 63.353 63.353 63.144 0.209 25439 22424 1 30 . 1 1 121 121 ILE CB C 121 38.222 38.222 38.429 -0.207 25439 22425 1 30 . 1 1 121 121 ILE H H 121 8.237 8.237 8.413 -0.176 25439 22426 1 30 . 1 1 122 122 CYS N N 122 123.931 123.931 118.192 5.739 25439 22427 1 30 . 1 1 122 122 CYS HA H 122 4.233 4.233 3.458 0.775 25439 22428 1 30 . 1 1 122 122 CYS CA C 122 60.230 60.230 60.440 -0.210 25439 22429 1 30 . 1 1 122 122 CYS CB C 122 30.602 30.602 25.645 4.957 25439 22430 1 30 . 1 1 122 122 CYS H H 122 9.355 9.355 7.663 1.692 25439 22431 1 30 . 1 1 123 123 ARG N N 123 119.561 119.561 121.685 -2.124 25439 22432 1 30 . 1 1 123 123 ARG HA H 123 4.150 4.150 4.327 -0.177 25439 22433 1 30 . 1 1 123 123 ARG CA C 123 53.177 53.177 58.058 -4.881 25439 22434 1 30 . 1 1 123 123 ARG CB C 123 27.961 27.961 30.220 -2.259 25439 22435 1 30 . 1 1 123 123 ARG H H 123 7.677 7.677 7.861 -0.184 25439 22436 1 30 . 1 1 124 124 VAL N N 124 122.794 122.794 121.957 0.837 25439 22437 1 30 . 1 1 124 124 VAL HA H 124 4.081 4.081 3.963 0.118 25439 22438 1 30 . 1 1 124 124 VAL CA C 124 60.647 60.647 61.401 -0.754 25439 22439 1 30 . 1 1 124 124 VAL CB C 124 32.857 32.857 31.209 1.648 25439 22440 1 30 . 1 1 124 124 VAL H H 124 7.578 7.578 7.459 0.119 25439 22441 1 30 . 1 1 125 125 PRO HA H 125 4.263 4.263 4.495 -0.232 25439 22442 1 30 . 1 1 125 125 PRO CA C 125 63.268 63.268 62.347 0.921 25439 22443 1 30 . 1 1 125 125 PRO CB C 125 32.379 32.379 32.874 -0.495 25439 22444 1 30 . 1 1 126 126 ARG N N 126 128.350 128.350 120.325 8.025 25439 22445 1 30 . 1 1 126 126 ARG HA H 126 3.912 3.912 4.120 -0.207 25439 22446 1 30 . 1 1 126 126 ARG CA C 126 59.653 59.653 59.185 0.468 25439 22447 1 30 . 1 1 126 126 ARG CB C 126 29.339 29.339 29.362 -0.023 25439 22448 1 30 . 1 1 126 126 ARG H H 126 9.534 9.534 8.818 0.716 25439 22449 1 30 . 1 1 127 127 ALA N N 127 119.169 119.169 121.561 -2.392 25439 22450 1 30 . 1 1 127 127 ALA HA H 127 4.192 4.192 4.155 0.037 25439 22451 1 30 . 1 1 127 127 ALA CA C 127 55.227 55.227 55.089 0.138 25439 22452 1 30 . 1 1 127 127 ALA CB C 127 18.363 18.363 17.911 0.452 25439 22453 1 30 . 1 1 127 127 ALA H H 127 9.263 9.263 8.456 0.807 25439 22454 1 30 . 1 1 128 128 GLN N N 128 117.345 117.345 118.434 -1.089 25439 22455 1 30 . 1 1 128 128 GLN HA H 128 4.209 4.209 4.125 0.084 25439 22456 1 30 . 1 1 128 128 GLN CA C 128 58.506 58.506 58.457 0.049 25439 22457 1 30 . 1 1 128 128 GLN CB C 128 28.220 28.220 27.995 0.225 25439 22458 1 30 . 1 1 128 128 GLN H H 128 7.448 7.448 8.380 -0.932 25439 22459 1 30 . 1 1 129 129 LEU N N 129 120.561 120.561 120.127 0.434 25439 22460 1 30 . 1 1 129 129 LEU HA H 129 4.088 4.088 3.900 0.188 25439 22461 1 30 . 1 1 129 129 LEU CA C 129 57.952 57.952 57.945 0.007 25439 22462 1 30 . 1 1 129 129 LEU CB C 129 41.817 41.817 41.750 0.067 25439 22463 1 30 . 1 1 129 129 LEU H H 129 7.622 7.622 7.554 0.068 25439 22464 1 30 . 1 1 130 130 GLU N N 130 119.122 119.122 118.608 0.514 25439 22465 1 30 . 1 1 130 130 GLU HA H 130 3.956 3.956 3.888 0.068 25439 22466 1 30 . 1 1 130 130 GLU CA C 130 59.353 59.353 59.953 -0.600 25439 22467 1 30 . 1 1 130 130 GLU CB C 130 29.337 29.337 29.345 -0.008 25439 22468 1 30 . 1 1 130 130 GLU H H 130 8.656 8.656 8.114 0.542 25439 22469 1 30 . 1 1 131 131 GLU N N 131 121.469 121.469 119.088 2.381 25439 22470 1 30 . 1 1 131 131 GLU HA H 131 4.163 4.163 4.020 0.143 25439 22471 1 30 . 1 1 131 131 GLU CA C 131 59.288 59.288 59.927 -0.639 25439 22472 1 30 . 1 1 131 131 GLU CB C 131 29.422 29.422 29.312 0.110 25439 22473 1 30 . 1 1 131 131 GLU H H 131 7.922 7.922 7.764 0.158 25439 22474 1 30 . 1 1 132 132 GLU N N 132 119.241 119.241 118.624 0.617 25439 22475 1 30 . 1 1 132 132 GLU HA H 132 3.998 3.998 4.050 -0.052 25439 22476 1 30 . 1 1 132 132 GLU CA C 132 59.327 59.327 59.261 0.066 25439 22477 1 30 . 1 1 132 132 GLU CB C 132 29.421 29.421 29.214 0.207 25439 22478 1 30 . 1 1 132 132 GLU H H 132 8.099 8.099 7.616 0.483 25439 22479 1 30 . 1 1 133 133 ALA N N 133 121.302 121.302 122.224 -0.922 25439 22480 1 30 . 1 1 133 133 ALA HA H 133 4.053 4.053 4.039 0.014 25439 22481 1 30 . 1 1 133 133 ALA CA C 133 54.973 54.973 55.275 -0.302 25439 22482 1 30 . 1 1 133 133 ALA CB C 133 18.154 18.154 18.395 -0.241 25439 22483 1 30 . 1 1 133 133 ALA H H 133 7.795 7.795 7.704 0.091 25439 22484 1 30 . 1 1 134 134 ARG N N 134 118.757 118.757 118.294 0.463 25439 22485 1 30 . 1 1 134 134 ARG HA H 134 4.143 4.143 4.064 0.079 25439 22486 1 30 . 1 1 134 134 ARG CA C 134 59.438 59.438 59.209 0.229 25439 22487 1 30 . 1 1 134 134 ARG CB C 134 30.148 30.148 30.321 -0.173 25439 22488 1 30 . 1 1 134 134 ARG H H 134 8.145 8.145 8.060 0.085 25439 22489 1 30 . 1 1 135 135 LYS N N 135 119.496 119.496 119.219 0.277 25439 22490 1 30 . 1 1 135 135 LYS HA H 135 4.073 4.073 4.199 -0.126 25439 22491 1 30 . 1 1 135 135 LYS CA C 135 59.327 59.327 58.231 1.096 25439 22492 1 30 . 1 1 135 135 LYS CB C 135 32.539 32.539 32.486 0.053 25439 22493 1 30 . 1 1 135 135 LYS H H 135 8.036 8.036 7.868 0.168 25439 22494 1 30 . 1 1 136 136 LYS N N 136 116.645 116.645 117.487 -0.842 25439 22495 1 30 . 1 1 136 136 LYS HA H 136 4.362 4.362 4.478 -0.116 25439 22496 1 30 . 1 1 136 136 LYS CA C 136 56.575 56.575 55.361 1.214 25439 22497 1 30 . 1 1 136 136 LYS CB C 136 33.629 33.629 32.242 1.387 25439 22498 1 30 . 1 1 136 136 LYS H H 136 7.682 7.682 7.629 0.053 25439 22499 1 30 . 1 1 137 137 GLY N N 137 109.349 109.349 109.293 0.056 25439 22500 1 30 . 1 1 137 137 GLY CA C 137 46.358 46.358 46.278 0.080 25439 22501 1 30 . 1 1 137 137 GLY H H 137 8.064 8.064 7.792 0.272 25439 22502 1 30 . 1 1 138 138 THR N N 138 112.870 112.870 113.816 -0.946 25439 22503 1 30 . 1 1 138 138 THR HA H 138 4.735 4.735 4.685 0.050 25439 22504 1 30 . 1 1 138 138 THR CA C 138 59.308 59.308 60.489 -1.181 25439 22505 1 30 . 1 1 138 138 THR CB C 138 70.755 70.755 70.778 -0.022 25439 22506 1 30 . 1 1 138 138 THR H H 138 8.111 8.111 8.204 -0.093 25439 22507 1 30 . 1 1 139 139 GLN N N 139 118.177 118.177 119.104 -0.927 25439 22508 1 30 . 1 1 139 139 GLN HA H 139 4.609 4.609 4.727 -0.118 25439 22509 1 30 . 1 1 139 139 GLN CA C 139 54.435 54.435 55.116 -0.681 25439 22510 1 30 . 1 1 139 139 GLN CB C 139 30.777 30.777 31.061 -0.284 25439 22511 1 30 . 1 1 139 139 GLN H H 139 8.227 8.227 8.203 0.024 25439 22512 1 30 . 1 1 140 140 VAL N N 140 123.601 123.601 119.285 4.316 25439 22513 1 30 . 1 1 140 140 VAL HA H 140 3.790 3.790 4.383 -0.593 25439 22514 1 30 . 1 1 140 140 VAL CA C 140 63.934 63.934 62.007 1.927 25439 22515 1 30 . 1 1 140 140 VAL CB C 140 32.154 32.154 34.382 -2.228 25439 22516 1 30 . 1 1 140 140 VAL H H 140 8.839 8.839 8.239 0.600 25439 22517 1 30 . 1 1 141 141 SER HA H 141 4.524 4.524 4.677 -0.153 25439 22518 1 30 . 1 1 141 141 SER CA C 141 57.841 57.841 58.630 -0.789 25439 22519 1 30 . 1 1 141 141 SER CB C 141 64.174 64.174 63.840 0.334 25439 22520 1 30 . 1 1 142 142 PHE N N 142 123.726 123.726 126.606 -2.880 25439 22521 1 30 . 1 1 142 142 PHE HA H 142 4.458 4.458 4.835 -0.377 25439 22522 1 30 . 1 1 142 142 PHE CA C 142 58.673 58.673 57.756 0.917 25439 22523 1 30 . 1 1 142 142 PHE CB C 142 40.055 40.055 40.967 -0.912 25439 22524 1 30 . 1 1 142 142 PHE H H 142 7.534 7.534 8.394 -0.860 25439 22525 1 30 . 1 1 143 143 HIS N N 143 126.548 126.548 119.208 7.340 25439 22526 1 30 . 1 1 143 143 HIS HA H 143 4.336 4.336 4.557 -0.221 25439 22527 1 30 . 1 1 143 143 HIS CA C 143 56.837 56.837 55.742 1.095 25439 22528 1 30 . 1 1 143 143 HIS CB C 143 31.949 31.949 31.940 0.009 25439 22529 1 30 . 1 1 143 143 HIS H H 143 8.308 8.308 7.252 1.056 25439 22530 1 30 . 1 1 144 144 GLN N N 144 115.094 115.094 115.640 -0.546 25439 22531 1 30 . 1 1 144 144 GLN HA H 144 4.433 4.433 4.519 -0.086 25439 22532 1 30 . 1 1 144 144 GLN CA C 144 54.210 54.210 53.748 0.462 25439 22533 1 30 . 1 1 144 144 GLN CB C 144 32.925 32.925 31.595 1.330 25439 22534 1 30 . 1 1 144 144 GLN H H 144 7.203 7.203 7.025 0.178 25439 22535 1 30 . 1 1 145 145 CYS N N 145 123.088 123.088 118.553 4.535 25439 22536 1 30 . 1 1 145 145 CYS HA H 145 4.961 4.961 4.930 0.031 25439 22537 1 30 . 1 1 145 145 CYS CA C 145 57.978 57.978 56.977 1.001 25439 22538 1 30 . 1 1 145 145 CYS CB C 145 33.555 33.555 29.718 3.837 25439 22539 1 30 . 1 1 145 145 CYS H H 145 8.668 8.668 8.665 0.003 25439 22540 1 30 . 1 1 146 146 VAL N N 146 113.265 113.265 117.937 -4.672 25439 22541 1 30 . 1 1 146 146 VAL HA H 146 4.238 4.238 4.162 0.076 25439 22542 1 30 . 1 1 146 146 VAL CA C 146 64.001 64.001 65.237 -1.236 25439 22543 1 30 . 1 1 146 146 VAL CB C 146 32.157 32.157 32.053 0.104 25439 22544 1 30 . 1 1 146 146 VAL H H 146 8.198 8.198 8.281 -0.083 25439 22545 1 30 . 1 1 147 147 HIS N N 147 120.556 120.556 118.453 2.103 25439 22546 1 30 . 1 1 147 147 HIS HA H 147 4.604 4.604 4.356 0.248 25439 22547 1 30 . 1 1 147 147 HIS CA C 147 58.708 58.708 58.648 0.060 25439 22548 1 30 . 1 1 147 147 HIS CB C 147 32.204 32.204 29.360 2.844 25439 22549 1 30 . 1 1 147 147 HIS H H 147 7.151 7.151 8.250 -1.099 25439 22550 1 30 . 1 1 148 148 CYS N N 148 112.110 112.110 112.137 -0.027 25439 22551 1 30 . 1 1 148 148 CYS HA H 148 4.889 4.889 4.840 0.049 25439 22552 1 30 . 1 1 148 148 CYS CA C 148 57.952 57.952 55.556 2.396 25439 22553 1 30 . 1 1 148 148 CYS CB C 148 32.956 32.956 30.258 2.698 25439 22554 1 30 . 1 1 148 148 CYS H H 148 7.413 7.413 7.270 0.143 25439 22555 1 30 . 1 1 149 149 GLY N N 149 112.797 112.797 108.240 4.557 25439 22556 1 30 . 1 1 149 149 GLY CA C 149 45.327 45.327 44.345 0.982 25439 22557 1 30 . 1 1 149 149 GLY H H 149 6.949 6.949 8.301 -1.352 25439 22558 1 30 . 1 1 150 150 CYS N N 150 127.277 127.277 121.280 5.997 25439 22559 1 30 . 1 1 150 150 CYS HA H 150 3.932 3.932 4.630 -0.698 25439 22560 1 30 . 1 1 150 150 CYS CA C 150 61.362 61.362 57.064 4.298 25439 22561 1 30 . 1 1 150 150 CYS CB C 150 30.632 30.632 30.000 0.632 25439 22562 1 30 . 1 1 150 150 CYS H H 150 8.240 8.240 7.170 1.070 25439 22563 1 30 . 1 1 151 151 ARG N N 151 125.476 125.476 126.996 -1.520 25439 22564 1 30 . 1 1 151 151 ARG HA H 151 4.775 4.775 4.433 0.342 25439 22565 1 30 . 1 1 151 151 ARG CA C 151 56.164 56.164 55.246 0.918 25439 22566 1 30 . 1 1 151 151 ARG CB C 151 30.354 30.354 29.000 1.355 25439 22567 1 30 . 1 1 151 151 ARG H H 151 8.492 8.492 8.498 -0.006 25439 22568 1 30 . 1 1 152 152 GLY N N 152 117.275 117.275 109.208 8.067 25439 22569 1 30 . 1 1 152 152 GLY CA C 152 45.523 45.523 45.194 0.329 25439 22570 1 30 . 1 1 152 152 GLY H H 152 9.812 9.812 8.000 1.812 25439 22571 1 30 . 1 1 153 153 CYS N N 153 126.187 126.187 118.765 7.422 25439 22572 1 30 . 1 1 153 153 CYS HA H 153 4.842 4.842 4.835 0.007 25439 22573 1 30 . 1 1 153 153 CYS CA C 153 57.130 57.130 55.842 1.288 25439 22574 1 30 . 1 1 153 153 CYS CB C 153 31.368 31.368 28.204 3.164 25439 22575 1 30 . 1 1 153 153 CYS H H 153 8.930 8.930 8.267 0.663 25439 22576 1 30 . 1 1 154 154 ALA N N 154 125.869 125.869 126.182 -0.313 25439 22577 1 30 . 1 1 154 154 ALA HA H 154 4.159 4.159 4.938 -0.779 25439 22578 1 30 . 1 1 154 154 ALA CA C 154 53.187 53.187 51.519 1.668 25439 22579 1 30 . 1 1 154 154 ALA CB C 154 18.937 18.937 21.513 -2.576 25439 22580 1 30 . 1 1 154 154 ALA H H 154 8.616 8.616 8.381 0.235 25439 22581 1 30 . 1 1 155 155 SER N N 155 116.724 116.724 116.793 -0.069 25439 22582 1 30 . 1 1 155 155 SER HA H 155 4.283 4.283 4.487 -0.204 25439 22583 1 30 . 1 1 155 155 SER CA C 155 60.136 60.136 59.416 0.720 25439 22584 1 30 . 1 1 155 155 SER CB C 155 63.575 63.575 64.298 -0.723 25439 22585 1 30 . 1 1 155 155 SER H H 155 9.358 9.358 8.966 0.392 25439 22586 1 30 . 1 1 156 156 THR N N 156 111.893 111.893 115.613 -3.720 25439 22587 1 30 . 1 1 156 156 THR HA H 156 4.358 4.358 4.477 -0.119 25439 22588 1 30 . 1 1 156 156 THR CA C 156 61.264 61.264 62.298 -1.034 25439 22589 1 30 . 1 1 156 156 THR CB C 156 69.999 69.999 68.830 1.169 25439 22590 1 30 . 1 1 156 156 THR H H 156 7.638 7.638 7.953 -0.315 25439 22591 1 31 . 1 1 0 0 GLY CA C 0 43.750 43.750 45.308 -1.558 25439 22592 1 31 . 1 1 1 1 SER N N 1 117.201 117.201 118.767 -1.566 25439 22593 1 31 . 1 1 1 1 SER HA H 1 4.809 4.809 4.608 0.201 25439 22594 1 31 . 1 1 1 1 SER CA C 1 56.525 56.525 57.490 -0.965 25439 22595 1 31 . 1 1 1 1 SER CB C 1 63.385 63.385 64.551 -1.166 25439 22596 1 31 . 1 1 1 1 SER H H 1 8.381 8.381 8.281 0.100 25439 22597 1 31 . 1 1 2 2 PRO HA H 2 4.468 4.468 4.610 -0.142 25439 22598 1 31 . 1 1 2 2 PRO CA C 2 63.292 63.292 63.174 0.118 25439 22599 1 31 . 1 1 2 2 PRO CB C 2 32.174 32.174 32.362 -0.188 25439 22600 1 31 . 1 1 3 3 ARG N N 3 121.649 121.649 123.495 -1.846 25439 22601 1 31 . 1 1 3 3 ARG HA H 3 4.324 4.324 4.517 -0.193 25439 22602 1 31 . 1 1 3 3 ARG CA C 3 56.226 56.226 55.943 0.283 25439 22603 1 31 . 1 1 3 3 ARG CB C 3 30.732 30.732 30.336 0.396 25439 22604 1 31 . 1 1 3 3 ARG H H 3 8.428 8.428 8.544 -0.116 25439 22605 1 31 . 1 1 4 4 ILE N N 4 122.500 122.500 121.214 1.286 25439 22606 1 31 . 1 1 4 4 ILE HA H 4 4.181 4.181 4.327 -0.146 25439 22607 1 31 . 1 1 4 4 ILE CA C 4 60.943 60.943 60.710 0.233 25439 22608 1 31 . 1 1 4 4 ILE CB C 4 38.751 38.751 39.892 -1.141 25439 22609 1 31 . 1 1 4 4 ILE H H 4 8.165 8.165 7.928 0.237 25439 22610 1 31 . 1 1 5 5 LYS N N 5 126.237 126.237 126.033 0.204 25439 22611 1 31 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.713 -0.311 25439 22612 1 31 . 1 1 5 5 LYS CA C 5 56.422 56.422 56.177 0.245 25439 22613 1 31 . 1 1 5 5 LYS CB C 5 33.130 33.130 34.511 -1.381 25439 22614 1 31 . 1 1 5 5 LYS H H 5 8.500 8.500 8.360 0.140 25439 22615 1 31 . 1 1 6 6 THR N N 6 116.495 116.495 116.456 0.039 25439 22616 1 31 . 1 1 6 6 THR HA H 6 4.323 4.323 4.554 -0.231 25439 22617 1 31 . 1 1 6 6 THR CA C 6 61.918 61.918 62.406 -0.488 25439 22618 1 31 . 1 1 6 6 THR CB C 6 69.963 69.963 69.421 0.542 25439 22619 1 31 . 1 1 6 6 THR H H 6 8.194 8.194 8.307 -0.113 25439 22620 1 31 . 1 1 7 7 ARG N N 7 124.128 124.128 121.610 2.518 25439 22621 1 31 . 1 1 7 7 ARG HA H 7 4.396 4.396 4.652 -0.256 25439 22622 1 31 . 1 1 7 7 ARG CA C 7 56.128 56.128 55.289 0.839 25439 22623 1 31 . 1 1 7 7 ARG CB C 7 30.953 30.953 32.303 -1.350 25439 22624 1 31 . 1 1 7 7 ARG H H 7 8.458 8.458 7.736 0.722 25439 22625 1 31 . 1 1 8 8 ARG N N 8 123.384 123.384 121.371 2.013 25439 22626 1 31 . 1 1 8 8 ARG HA H 8 4.424 4.424 4.634 -0.210 25439 22627 1 31 . 1 1 8 8 ARG CA C 8 56.011 56.011 56.222 -0.211 25439 22628 1 31 . 1 1 8 8 ARG CB C 8 31.058 31.058 30.790 0.268 25439 22629 1 31 . 1 1 8 8 ARG H H 8 8.526 8.526 8.462 0.064 25439 22630 1 31 . 1 1 9 9 SER N N 9 118.446 118.446 116.616 1.830 25439 22631 1 31 . 1 1 9 9 SER HA H 9 4.473 4.473 4.621 -0.148 25439 22632 1 31 . 1 1 9 9 SER CA C 9 58.568 58.568 58.454 0.114 25439 22633 1 31 . 1 1 9 9 SER CB C 9 63.986 63.986 63.958 0.028 25439 22634 1 31 . 1 1 9 9 SER H H 9 8.450 8.450 8.228 0.222 25439 22635 1 31 . 1 1 10 10 LYS N N 10 124.117 124.117 126.223 -2.106 25439 22636 1 31 . 1 1 10 10 LYS HA H 10 4.673 4.673 4.773 -0.100 25439 22637 1 31 . 1 1 10 10 LYS CA C 10 54.412 54.412 54.130 0.282 25439 22638 1 31 . 1 1 10 10 LYS CB C 10 32.693 32.693 34.414 -1.721 25439 22639 1 31 . 1 1 10 10 LYS H H 10 8.426 8.426 8.505 -0.079 25439 22640 1 31 . 1 1 11 11 PRO HA H 11 4.360 4.360 4.575 -0.215 25439 22641 1 31 . 1 1 11 11 PRO CA C 11 62.861 62.861 62.452 0.409 25439 22642 1 31 . 1 1 11 11 PRO CB C 11 32.106 32.106 32.452 -0.346 25439 22643 1 31 . 1 1 12 12 ALA N N 12 124.420 124.420 122.507 1.913 25439 22644 1 31 . 1 1 12 12 ALA HA H 12 2.889 2.889 2.731 0.158 25439 22645 1 31 . 1 1 12 12 ALA CA C 12 49.735 49.735 50.053 -0.318 25439 22646 1 31 . 1 1 12 12 ALA CB C 12 18.066 18.066 16.796 1.270 25439 22647 1 31 . 1 1 12 12 ALA H H 12 7.890 7.890 7.805 0.085 25439 22648 1 31 . 1 1 13 13 PRO HA H 13 4.207 4.207 4.413 -0.206 25439 22649 1 31 . 1 1 13 13 PRO CA C 13 62.111 62.111 61.744 0.367 25439 22650 1 31 . 1 1 13 13 PRO CB C 13 32.582 32.582 32.481 0.101 25439 22651 1 31 . 1 1 14 14 ASP N N 14 119.535 119.535 120.673 -1.138 25439 22652 1 31 . 1 1 14 14 ASP HA H 14 4.379 4.379 4.283 0.096 25439 22653 1 31 . 1 1 14 14 ASP CA C 14 56.427 56.427 56.590 -0.163 25439 22654 1 31 . 1 1 14 14 ASP CB C 14 41.177 41.177 40.694 0.483 25439 22655 1 31 . 1 1 14 14 ASP H H 14 8.206 8.206 8.714 -0.508 25439 22656 1 31 . 1 1 15 15 GLY N N 15 113.273 113.273 107.615 5.658 25439 22657 1 31 . 1 1 15 15 GLY CA C 15 45.146 45.146 46.757 -1.611 25439 22658 1 31 . 1 1 15 15 GLY H H 15 8.723 8.723 8.287 0.436 25439 22659 1 31 . 1 1 16 16 PHE N N 16 123.113 123.113 122.802 0.311 25439 22660 1 31 . 1 1 16 16 PHE HA H 16 4.125 4.125 4.210 -0.085 25439 22661 1 31 . 1 1 16 16 PHE CA C 16 60.715 60.715 59.454 1.261 25439 22662 1 31 . 1 1 16 16 PHE CB C 16 39.639 39.639 39.012 0.627 25439 22663 1 31 . 1 1 16 16 PHE H H 16 8.127 8.127 8.318 -0.191 25439 22664 1 31 . 1 1 17 17 GLU N N 17 115.695 115.695 119.437 -3.742 25439 22665 1 31 . 1 1 17 17 GLU HA H 17 3.768 3.768 3.800 -0.032 25439 22666 1 31 . 1 1 17 17 GLU CA C 17 59.234 59.234 59.458 -0.224 25439 22667 1 31 . 1 1 17 17 GLU CB C 17 28.495 28.495 29.098 -0.603 25439 22668 1 31 . 1 1 17 17 GLU H H 17 9.088 9.088 8.141 0.947 25439 22669 1 31 . 1 1 18 18 LYS N N 18 115.887 115.887 117.209 -1.322 25439 22670 1 31 . 1 1 18 18 LYS HA H 18 4.165 4.165 4.062 0.103 25439 22671 1 31 . 1 1 18 18 LYS CA C 18 58.249 58.249 58.852 -0.603 25439 22672 1 31 . 1 1 18 18 LYS CB C 18 32.725 32.725 32.947 -0.222 25439 22673 1 31 . 1 1 18 18 LYS H H 18 7.285 7.285 7.798 -0.513 25439 22674 1 31 . 1 1 19 19 ILE N N 19 110.277 110.277 110.525 -0.248 25439 22675 1 31 . 1 1 19 19 ILE HA H 19 4.722 4.722 4.711 0.011 25439 22676 1 31 . 1 1 19 19 ILE CA C 19 61.093 61.093 59.774 1.319 25439 22677 1 31 . 1 1 19 19 ILE CB C 19 39.139 39.139 38.160 0.979 25439 22678 1 31 . 1 1 19 19 ILE H H 19 7.031 7.031 7.519 -0.488 25439 22679 1 31 . 1 1 20 20 LYS N N 20 124.540 124.540 122.597 1.943 25439 22680 1 31 . 1 1 20 20 LYS HA H 20 3.603 3.603 3.826 -0.223 25439 22681 1 31 . 1 1 20 20 LYS CA C 20 60.917 60.917 60.388 0.529 25439 22682 1 31 . 1 1 20 20 LYS CB C 20 30.210 30.210 30.708 -0.498 25439 22683 1 31 . 1 1 20 20 LYS H H 20 7.666 7.666 7.539 0.127 25439 22684 1 31 . 1 1 21 21 PRO HA H 21 4.292 4.292 4.576 -0.284 25439 22685 1 31 . 1 1 21 21 PRO CA C 21 66.990 66.990 65.281 1.709 25439 22686 1 31 . 1 1 21 21 PRO CB C 21 30.779 30.779 31.474 -0.695 25439 22687 1 31 . 1 1 22 22 THR N N 22 114.917 114.917 115.405 -0.488 25439 22688 1 31 . 1 1 22 22 THR HA H 22 3.866 3.866 4.045 -0.179 25439 22689 1 31 . 1 1 22 22 THR CA C 22 66.575 66.575 66.640 -0.065 25439 22690 1 31 . 1 1 22 22 THR CB C 22 68.731 68.731 68.088 0.643 25439 22691 1 31 . 1 1 22 22 THR H H 22 7.331 7.331 8.413 -1.082 25439 22692 1 31 . 1 1 23 23 LEU N N 23 120.152 120.152 120.115 0.037 25439 22693 1 31 . 1 1 23 23 LEU HA H 23 4.397 4.397 3.929 0.468 25439 22694 1 31 . 1 1 23 23 LEU CA C 23 58.740 58.740 57.851 0.889 25439 22695 1 31 . 1 1 23 23 LEU CB C 23 40.489 40.489 41.834 -1.345 25439 22696 1 31 . 1 1 23 23 LEU H H 23 7.991 7.991 7.498 0.493 25439 22697 1 31 . 1 1 24 24 THR N N 24 119.365 119.365 115.376 3.989 25439 22698 1 31 . 1 1 24 24 THR HA H 24 4.095 4.095 4.043 0.052 25439 22699 1 31 . 1 1 24 24 THR CA C 24 66.834 66.834 65.887 0.947 25439 22700 1 31 . 1 1 24 24 THR CB C 24 68.614 68.614 67.881 0.733 25439 22701 1 31 . 1 1 24 24 THR H H 24 9.175 9.175 7.571 1.604 25439 22702 1 31 . 1 1 25 25 ASP N N 25 122.865 122.865 122.435 0.430 25439 22703 1 31 . 1 1 25 25 ASP HA H 25 4.483 4.483 4.377 0.106 25439 22704 1 31 . 1 1 25 25 ASP CA C 25 58.158 58.158 57.112 1.046 25439 22705 1 31 . 1 1 25 25 ASP CB C 25 40.329 40.329 40.577 -0.248 25439 22706 1 31 . 1 1 25 25 ASP H H 25 7.714 7.714 7.774 -0.060 25439 22707 1 31 . 1 1 26 26 PHE N N 26 116.182 116.182 118.329 -2.147 25439 22708 1 31 . 1 1 26 26 PHE HA H 26 4.457 4.457 4.172 0.285 25439 22709 1 31 . 1 1 26 26 PHE CA C 26 62.531 62.531 61.537 0.994 25439 22710 1 31 . 1 1 26 26 PHE CB C 26 39.468 39.468 38.864 0.605 25439 22711 1 31 . 1 1 26 26 PHE H H 26 7.816 7.816 7.882 -0.066 25439 22712 1 31 . 1 1 27 27 GLU N N 27 120.107 120.107 119.550 0.557 25439 22713 1 31 . 1 1 27 27 GLU HA H 27 4.113 4.113 4.004 0.109 25439 22714 1 31 . 1 1 27 27 GLU CA C 27 59.852 59.852 59.555 0.297 25439 22715 1 31 . 1 1 27 27 GLU CB C 27 29.692 29.692 29.454 0.238 25439 22716 1 31 . 1 1 27 27 GLU H H 27 8.068 8.068 7.923 0.145 25439 22717 1 31 . 1 1 28 28 ILE N N 28 121.494 121.494 119.585 1.909 25439 22718 1 31 . 1 1 28 28 ILE HA H 28 3.718 3.718 3.707 0.011 25439 22719 1 31 . 1 1 28 28 ILE CA C 28 65.002 65.002 65.413 -0.411 25439 22720 1 31 . 1 1 28 28 ILE CB C 28 38.023 38.023 37.856 0.167 25439 22721 1 31 . 1 1 28 28 ILE H H 28 8.531 8.531 7.586 0.945 25439 22722 1 31 . 1 1 29 29 GLN N N 29 118.941 118.941 119.664 -0.723 25439 22723 1 31 . 1 1 29 29 GLN HA H 29 4.180 4.180 3.992 0.188 25439 22724 1 31 . 1 1 29 29 GLN CA C 29 59.507 59.507 59.145 0.362 25439 22725 1 31 . 1 1 29 29 GLN CB C 29 29.783 29.783 28.434 1.349 25439 22726 1 31 . 1 1 29 29 GLN H H 29 8.117 8.117 7.431 0.686 25439 22727 1 31 . 1 1 30 30 LEU N N 30 121.724 121.724 121.391 0.333 25439 22728 1 31 . 1 1 30 30 LEU HA H 30 4.032 4.032 3.995 0.037 25439 22729 1 31 . 1 1 30 30 LEU CA C 30 58.333 58.333 58.386 -0.053 25439 22730 1 31 . 1 1 30 30 LEU CB C 30 42.339 42.339 41.831 0.508 25439 22731 1 31 . 1 1 30 30 LEU H H 30 8.677 8.677 8.519 0.158 25439 22732 1 31 . 1 1 31 31 ARG N N 31 120.629 120.629 119.175 1.454 25439 22733 1 31 . 1 1 31 31 ARG HA H 31 4.105 4.105 3.895 0.210 25439 22734 1 31 . 1 1 31 31 ARG CA C 31 59.340 59.340 60.297 -0.957 25439 22735 1 31 . 1 1 31 31 ARG CB C 31 30.044 30.044 29.738 0.306 25439 22736 1 31 . 1 1 31 31 ARG H H 31 8.227 8.227 8.608 -0.381 25439 22737 1 31 . 1 1 32 32 ASP N N 32 120.233 120.233 120.110 0.123 25439 22738 1 31 . 1 1 32 32 ASP HA H 32 4.484 4.484 4.356 0.128 25439 22739 1 31 . 1 1 32 32 ASP CA C 32 57.199 57.199 58.115 -0.916 25439 22740 1 31 . 1 1 32 32 ASP CB C 32 40.202 40.202 40.350 -0.148 25439 22741 1 31 . 1 1 32 32 ASP H H 32 8.407 8.407 7.946 0.461 25439 22742 1 31 . 1 1 33 33 ALA N N 33 121.939 121.939 122.202 -0.263 25439 22743 1 31 . 1 1 33 33 ALA HA H 33 4.321 4.321 4.020 0.301 25439 22744 1 31 . 1 1 33 33 ALA CA C 33 54.207 54.207 55.058 -0.851 25439 22745 1 31 . 1 1 33 33 ALA CB C 33 18.738 18.738 18.516 0.222 25439 22746 1 31 . 1 1 33 33 ALA H H 33 8.057 8.057 7.439 0.618 25439 22747 1 31 . 1 1 34 34 GLN N N 34 114.736 114.736 117.391 -2.655 25439 22748 1 31 . 1 1 34 34 GLN HA H 34 4.248 4.248 4.018 0.230 25439 22749 1 31 . 1 1 34 34 GLN CA C 34 56.567 56.567 58.896 -2.329 25439 22750 1 31 . 1 1 34 34 GLN CB C 34 29.743 29.743 28.747 0.996 25439 22751 1 31 . 1 1 34 34 GLN H H 34 7.746 7.746 8.655 -0.909 25439 22752 1 31 . 1 1 35 35 LYS N N 35 120.534 120.534 118.176 2.358 25439 22753 1 31 . 1 1 35 35 LYS HA H 35 4.232 4.232 4.244 -0.012 25439 22754 1 31 . 1 1 35 35 LYS CA C 35 57.427 57.427 58.494 -1.067 25439 22755 1 31 . 1 1 35 35 LYS CB C 35 32.887 32.887 32.642 0.246 25439 22756 1 31 . 1 1 35 35 LYS H H 35 7.570 7.570 8.055 -0.485 25439 22757 1 31 . 1 1 36 36 ASP N N 36 120.943 120.943 121.255 -0.312 25439 22758 1 31 . 1 1 36 36 ASP HA H 36 4.595 4.595 4.364 0.231 25439 22759 1 31 . 1 1 36 36 ASP CA C 36 54.983 54.983 57.530 -2.547 25439 22760 1 31 . 1 1 36 36 ASP CB C 36 41.129 41.129 40.338 0.791 25439 22761 1 31 . 1 1 36 36 ASP H H 36 8.375 8.375 8.540 -0.165 25439 22762 1 31 . 1 1 37 37 LYS N N 37 122.598 122.598 118.910 3.688 25439 22763 1 31 . 1 1 37 37 LYS HA H 37 4.365 4.365 4.095 0.270 25439 22764 1 31 . 1 1 37 37 LYS CA C 37 56.725 56.725 58.729 -2.004 25439 22765 1 31 . 1 1 37 37 LYS CB C 37 32.823 32.823 32.568 0.256 25439 22766 1 31 . 1 1 37 37 LYS H H 37 8.446 8.446 7.409 1.037 25439 22767 1 31 . 1 1 38 38 SER N N 38 115.849 115.849 112.912 2.937 25439 22768 1 31 . 1 1 38 38 SER HA H 38 4.423 4.423 4.541 -0.118 25439 22769 1 31 . 1 1 38 38 SER CA C 38 59.193 59.193 58.157 1.036 25439 22770 1 31 . 1 1 38 38 SER CB C 38 63.744 63.744 63.510 0.234 25439 22771 1 31 . 1 1 38 38 SER H H 38 8.392 8.392 7.530 0.862 25439 22772 1 31 . 1 1 39 39 SER N N 39 117.258 117.258 117.004 0.254 25439 22773 1 31 . 1 1 39 39 SER HA H 39 4.445 4.445 4.541 -0.096 25439 22774 1 31 . 1 1 39 39 SER CA C 39 58.933 58.933 58.776 0.157 25439 22775 1 31 . 1 1 39 39 SER CB C 39 63.711 63.711 64.106 -0.395 25439 22776 1 31 . 1 1 39 39 SER H H 39 8.283 8.283 7.587 0.696 25439 22777 1 31 . 1 1 40 40 LYS N N 40 122.427 122.427 124.146 -1.719 25439 22778 1 31 . 1 1 40 40 LYS HA H 40 4.321 4.321 4.070 0.251 25439 22779 1 31 . 1 1 40 40 LYS CA C 40 56.847 56.847 57.313 -0.466 25439 22780 1 31 . 1 1 40 40 LYS CB C 40 32.764 32.764 32.636 0.128 25439 22781 1 31 . 1 1 40 40 LYS H H 40 8.263 8.263 8.534 -0.271 25439 22782 1 31 . 1 1 41 41 LEU N N 41 121.281 121.281 123.581 -2.300 25439 22783 1 31 . 1 1 41 41 LEU HA H 41 4.308 4.308 4.586 -0.278 25439 22784 1 31 . 1 1 41 41 LEU CA C 41 55.335 55.335 55.412 -0.077 25439 22785 1 31 . 1 1 41 41 LEU CB C 41 42.212 42.212 42.188 0.024 25439 22786 1 31 . 1 1 41 41 LEU H H 41 8.068 8.068 8.161 -0.093 25439 22787 1 31 . 1 1 42 42 ALA N N 42 123.964 123.964 127.328 -3.364 25439 22788 1 31 . 1 1 42 42 ALA HA H 42 4.274 4.274 4.541 -0.267 25439 22789 1 31 . 1 1 42 42 ALA CA C 42 52.851 52.851 52.521 0.330 25439 22790 1 31 . 1 1 42 42 ALA CB C 42 19.135 19.135 19.266 -0.131 25439 22791 1 31 . 1 1 42 42 ALA H H 42 8.111 8.111 8.173 -0.062 25439 22792 1 31 . 1 1 43 43 ALA N N 43 122.146 122.146 121.344 0.802 25439 22793 1 31 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.544 -0.247 25439 22794 1 31 . 1 1 43 43 ALA CA C 43 52.727 52.727 51.923 0.804 25439 22795 1 31 . 1 1 43 43 ALA CB C 43 19.318 19.318 19.070 0.248 25439 22796 1 31 . 1 1 43 43 ALA H H 43 8.101 8.101 7.739 0.362 25439 22797 1 31 . 1 1 44 44 LYS N N 44 119.454 119.454 120.059 -0.605 25439 22798 1 31 . 1 1 44 44 LYS HA H 44 4.349 4.349 4.387 -0.038 25439 22799 1 31 . 1 1 44 44 LYS CA C 44 56.267 56.267 57.106 -0.840 25439 22800 1 31 . 1 1 44 44 LYS CB C 44 32.825 32.825 33.206 -0.381 25439 22801 1 31 . 1 1 44 44 LYS H H 44 8.198 8.198 7.740 0.458 25439 22802 1 31 . 1 1 45 45 SER N N 45 116.660 116.660 117.522 -0.862 25439 22803 1 31 . 1 1 45 45 SER HA H 45 4.368 4.368 4.495 -0.127 25439 22804 1 31 . 1 1 45 45 SER CA C 45 58.477 58.477 59.087 -0.611 25439 22805 1 31 . 1 1 45 45 SER CB C 45 64.063 64.063 63.975 0.088 25439 22806 1 31 . 1 1 45 45 SER H H 45 8.251 8.251 8.283 -0.032 25439 22807 1 31 . 1 1 46 46 ASN N N 46 120.516 120.516 119.912 0.604 25439 22808 1 31 . 1 1 46 46 ASN HA H 46 4.361 4.361 4.183 0.178 25439 22809 1 31 . 1 1 46 46 ASN CA C 46 54.657 54.657 55.918 -1.261 25439 22810 1 31 . 1 1 46 46 ASN CB C 46 37.649 37.649 37.735 -0.086 25439 22811 1 31 . 1 1 46 46 ASN H H 46 8.498 8.498 8.467 0.031 25439 22812 1 31 . 1 1 47 47 GLU N N 47 117.964 117.964 118.463 -0.499 25439 22813 1 31 . 1 1 47 47 GLU HA H 47 3.350 3.350 3.119 0.231 25439 22814 1 31 . 1 1 47 47 GLU CA C 47 59.213 59.213 59.181 0.032 25439 22815 1 31 . 1 1 47 47 GLU CB C 47 28.998 28.998 28.754 0.244 25439 22816 1 31 . 1 1 47 47 GLU H H 47 8.016 8.016 8.199 -0.183 25439 22817 1 31 . 1 1 48 48 GLN N N 48 119.468 119.468 118.838 0.630 25439 22818 1 31 . 1 1 48 48 GLN HA H 48 4.250 4.250 4.006 0.244 25439 22819 1 31 . 1 1 48 48 GLN CA C 48 58.529 58.529 59.041 -0.512 25439 22820 1 31 . 1 1 48 48 GLN CB C 48 28.902 28.902 28.394 0.508 25439 22821 1 31 . 1 1 48 48 GLN H H 48 7.892 7.892 7.335 0.557 25439 22822 1 31 . 1 1 49 49 LEU N N 49 120.145 120.145 119.081 1.064 25439 22823 1 31 . 1 1 49 49 LEU HA H 49 4.232 4.232 4.105 0.127 25439 22824 1 31 . 1 1 49 49 LEU CA C 49 57.479 57.479 57.054 0.425 25439 22825 1 31 . 1 1 49 49 LEU CB C 49 41.391 41.391 41.549 -0.158 25439 22826 1 31 . 1 1 49 49 LEU H H 49 7.699 7.699 7.230 0.469 25439 22827 1 31 . 1 1 50 50 TRP N N 50 119.596 119.596 119.692 -0.096 25439 22828 1 31 . 1 1 50 50 TRP HA H 50 4.520 4.520 4.417 0.103 25439 22829 1 31 . 1 1 50 50 TRP CA C 50 58.353 58.353 57.309 1.044 25439 22830 1 31 . 1 1 50 50 TRP CB C 50 28.880 28.880 27.977 0.902 25439 22831 1 31 . 1 1 50 50 TRP H H 50 8.385 8.385 7.921 0.464 25439 22832 1 31 . 1 1 51 51 GLU N N 51 119.362 119.362 118.384 0.978 25439 22833 1 31 . 1 1 51 51 GLU HA H 51 4.145 4.145 4.197 -0.052 25439 22834 1 31 . 1 1 51 51 GLU CA C 51 60.035 60.035 59.775 0.260 25439 22835 1 31 . 1 1 51 51 GLU CB C 51 29.675 29.675 29.529 0.146 25439 22836 1 31 . 1 1 51 51 GLU H H 51 8.223 8.223 7.830 0.393 25439 22837 1 31 . 1 1 52 52 ILE N N 52 119.018 119.018 119.276 -0.258 25439 22838 1 31 . 1 1 52 52 ILE HA H 52 3.673 3.673 3.752 -0.079 25439 22839 1 31 . 1 1 52 52 ILE CA C 52 65.511 65.511 64.932 0.579 25439 22840 1 31 . 1 1 52 52 ILE CB C 52 38.532 38.532 37.977 0.555 25439 22841 1 31 . 1 1 52 52 ILE H H 52 7.801 7.801 7.236 0.565 25439 22842 1 31 . 1 1 53 53 MET N N 53 118.133 118.133 117.415 0.718 25439 22843 1 31 . 1 1 53 53 MET HA H 53 4.452 4.452 4.097 0.355 25439 22844 1 31 . 1 1 53 53 MET CA C 53 58.216 58.216 58.565 -0.349 25439 22845 1 31 . 1 1 53 53 MET CB C 53 31.838 31.838 31.582 0.256 25439 22846 1 31 . 1 1 53 53 MET H H 53 8.411 8.411 8.242 0.169 25439 22847 1 31 . 1 1 54 54 GLN N N 54 120.855 120.855 118.895 1.960 25439 22848 1 31 . 1 1 54 54 GLN HA H 54 4.333 4.333 3.998 0.335 25439 22849 1 31 . 1 1 54 54 GLN CA C 54 59.004 59.004 58.437 0.567 25439 22850 1 31 . 1 1 54 54 GLN CB C 54 27.824 27.824 28.621 -0.797 25439 22851 1 31 . 1 1 54 54 GLN H H 54 8.860 8.860 7.944 0.916 25439 22852 1 31 . 1 1 55 55 LEU N N 55 122.788 122.788 119.762 3.026 25439 22853 1 31 . 1 1 55 55 LEU HA H 55 4.302 4.302 4.214 0.088 25439 22854 1 31 . 1 1 55 55 LEU CA C 55 58.685 58.685 57.455 1.230 25439 22855 1 31 . 1 1 55 55 LEU CB C 55 42.695 42.695 40.883 1.812 25439 22856 1 31 . 1 1 55 55 LEU H H 55 8.298 8.298 7.892 0.406 25439 22857 1 31 . 1 1 56 56 HIS N N 56 118.426 118.426 118.490 -0.064 25439 22858 1 31 . 1 1 56 56 HIS HA H 56 4.317 4.317 4.284 0.033 25439 22859 1 31 . 1 1 56 56 HIS CA C 56 60.732 60.732 60.217 0.515 25439 22860 1 31 . 1 1 56 56 HIS CB C 56 30.530 30.530 29.748 0.782 25439 22861 1 31 . 1 1 56 56 HIS H H 56 8.416 8.416 7.972 0.444 25439 22862 1 31 . 1 1 57 57 HIS N N 57 121.197 121.197 119.408 1.789 25439 22863 1 31 . 1 1 57 57 HIS HA H 57 4.318 4.318 4.717 -0.399 25439 22864 1 31 . 1 1 57 57 HIS CA C 57 60.739 60.739 58.715 2.023 25439 22865 1 31 . 1 1 57 57 HIS CB C 57 28.726 28.726 30.368 -1.642 25439 22866 1 31 . 1 1 57 57 HIS H H 57 8.608 8.608 8.152 0.456 25439 22867 1 31 . 1 1 58 58 GLN N N 58 118.739 118.739 119.421 -0.682 25439 22868 1 31 . 1 1 58 58 GLN HA H 58 4.202 4.202 4.200 0.002 25439 22869 1 31 . 1 1 58 58 GLN CA C 58 59.507 59.507 59.494 0.013 25439 22870 1 31 . 1 1 58 58 GLN CB C 58 29.111 29.111 28.892 0.218 25439 22871 1 31 . 1 1 58 58 GLN H H 58 9.206 9.206 8.086 1.120 25439 22872 1 31 . 1 1 59 59 ARG N N 59 122.498 122.498 120.227 2.271 25439 22873 1 31 . 1 1 59 59 ARG HA H 59 3.437 3.437 3.848 -0.411 25439 22874 1 31 . 1 1 59 59 ARG CA C 59 60.361 60.361 59.913 0.448 25439 22875 1 31 . 1 1 59 59 ARG H H 59 8.623 8.623 8.888 -0.265 25439 22876 1 31 . 1 1 60 60 SER N N 60 114.930 114.930 115.867 -0.937 25439 22877 1 31 . 1 1 60 60 SER HA H 60 4.515 4.515 4.268 0.247 25439 22878 1 31 . 1 1 60 60 SER CA C 60 64.832 64.832 61.638 3.194 25439 22879 1 31 . 1 1 60 60 SER CB C 60 63.583 63.583 63.108 0.475 25439 22880 1 31 . 1 1 60 60 SER H H 60 7.993 7.993 8.524 -0.531 25439 22881 1 31 . 1 1 61 61 ARG N N 61 124.417 124.417 122.587 1.830 25439 22882 1 31 . 1 1 61 61 ARG HA H 61 4.204 4.204 4.131 0.073 25439 22883 1 31 . 1 1 61 61 ARG CA C 61 58.852 58.852 59.117 -0.265 25439 22884 1 31 . 1 1 61 61 ARG CB C 61 29.077 29.077 29.908 -0.831 25439 22885 1 31 . 1 1 61 61 ARG H H 61 9.569 9.569 8.403 1.166 25439 22886 1 31 . 1 1 62 62 TYR N N 62 124.484 124.484 121.031 3.453 25439 22887 1 31 . 1 1 62 62 TYR HA H 62 4.676 4.676 4.319 0.357 25439 22888 1 31 . 1 1 62 62 TYR CA C 62 61.006 61.006 62.102 -1.096 25439 22889 1 31 . 1 1 62 62 TYR CB C 62 38.392 38.392 38.768 -0.376 25439 22890 1 31 . 1 1 62 62 TYR H H 62 8.622 8.622 8.296 0.326 25439 22891 1 31 . 1 1 63 63 ILE N N 63 119.789 119.789 119.138 0.651 25439 22892 1 31 . 1 1 63 63 ILE HA H 63 3.492 3.492 3.698 -0.206 25439 22893 1 31 . 1 1 63 63 ILE CA C 63 65.693 65.693 65.671 0.022 25439 22894 1 31 . 1 1 63 63 ILE CB C 63 38.023 38.023 38.187 -0.164 25439 22895 1 31 . 1 1 63 63 ILE H H 63 7.588 7.588 8.642 -1.054 25439 22896 1 31 . 1 1 64 64 TYR N N 64 120.485 120.485 121.166 -0.681 25439 22897 1 31 . 1 1 64 64 TYR HA H 64 4.577 4.577 4.264 0.313 25439 22898 1 31 . 1 1 64 64 TYR CA C 64 61.759 61.759 62.407 -0.648 25439 22899 1 31 . 1 1 64 64 TYR CB C 64 39.772 39.772 38.661 1.111 25439 22900 1 31 . 1 1 64 64 TYR H H 64 9.166 9.166 9.136 0.030 25439 22901 1 31 . 1 1 65 65 THR N N 65 117.072 117.072 117.257 -0.185 25439 22902 1 31 . 1 1 65 65 THR HA H 65 3.562 3.562 4.010 -0.448 25439 22903 1 31 . 1 1 65 65 THR CA C 65 67.016 67.016 67.544 -0.528 25439 22904 1 31 . 1 1 65 65 THR CB C 65 68.711 68.711 68.917 -0.206 25439 22905 1 31 . 1 1 65 65 THR H H 65 8.987 8.987 8.837 0.150 25439 22906 1 31 . 1 1 66 66 LEU N N 66 122.107 122.107 120.215 1.892 25439 22907 1 31 . 1 1 66 66 LEU HA H 66 3.782 3.782 4.238 -0.456 25439 22908 1 31 . 1 1 66 66 LEU CA C 66 58.476 58.476 58.016 0.460 25439 22909 1 31 . 1 1 66 66 LEU CB C 66 43.183 43.183 40.997 2.186 25439 22910 1 31 . 1 1 66 66 LEU H H 66 8.286 8.286 7.656 0.630 25439 22911 1 31 . 1 1 67 67 TYR N N 67 115.264 115.264 119.414 -4.150 25439 22912 1 31 . 1 1 67 67 TYR HA H 67 4.344 4.344 4.075 0.269 25439 22913 1 31 . 1 1 67 67 TYR CA C 67 60.830 60.830 61.347 -0.517 25439 22914 1 31 . 1 1 67 67 TYR CB C 67 40.376 40.376 39.515 0.861 25439 22915 1 31 . 1 1 67 67 TYR H H 67 7.983 7.983 8.274 -0.291 25439 22916 1 31 . 1 1 68 68 TYR N N 68 113.945 113.945 115.397 -1.452 25439 22917 1 31 . 1 1 68 68 TYR HA H 68 3.699 3.699 4.285 -0.586 25439 22918 1 31 . 1 1 68 68 TYR CA C 68 62.030 62.030 59.587 2.443 25439 22919 1 31 . 1 1 68 68 TYR CB C 68 38.046 38.046 38.383 -0.337 25439 22920 1 31 . 1 1 68 68 TYR H H 68 8.297 8.297 8.110 0.187 25439 22921 1 31 . 1 1 69 69 LYS N N 69 114.346 114.346 117.881 -3.535 25439 22922 1 31 . 1 1 69 69 LYS HA H 69 4.564 4.564 4.540 0.024 25439 22923 1 31 . 1 1 69 69 LYS CA C 69 56.821 56.821 56.796 0.025 25439 22924 1 31 . 1 1 69 69 LYS CB C 69 31.980 31.980 34.057 -2.077 25439 22925 1 31 . 1 1 69 69 LYS H H 69 7.084 7.084 7.558 -0.474 25439 22926 1 31 . 1 1 70 70 ARG N N 70 114.676 114.676 118.521 -3.845 25439 22927 1 31 . 1 1 70 70 ARG HA H 70 4.251 4.251 4.163 0.088 25439 22928 1 31 . 1 1 70 70 ARG CA C 70 56.314 56.314 56.975 -0.661 25439 22929 1 31 . 1 1 70 70 ARG CB C 70 31.128 31.128 30.917 0.211 25439 22930 1 31 . 1 1 70 70 ARG H H 70 8.178 8.178 7.867 0.311 25439 22931 1 31 . 1 1 71 71 LYS N N 71 115.371 115.371 116.277 -0.906 25439 22932 1 31 . 1 1 71 71 LYS HA H 71 4.036 4.036 3.745 0.291 25439 22933 1 31 . 1 1 71 71 LYS CA C 71 57.121 57.121 56.974 0.147 25439 22934 1 31 . 1 1 71 71 LYS CB C 71 28.897 28.897 30.498 -1.601 25439 22935 1 31 . 1 1 71 71 LYS H H 71 6.843 6.843 7.835 -0.992 25439 22936 1 31 . 1 1 72 72 ALA N N 72 117.701 117.701 120.849 -3.148 25439 22937 1 31 . 1 1 72 72 ALA HA H 72 4.395 4.395 4.446 -0.051 25439 22938 1 31 . 1 1 72 72 ALA CA C 72 52.597 52.597 51.855 0.742 25439 22939 1 31 . 1 1 72 72 ALA CB C 72 21.560 21.560 19.882 1.678 25439 22940 1 31 . 1 1 72 72 ALA H H 72 8.560 8.560 7.581 0.979 25439 22941 1 31 . 1 1 73 73 ILE N N 73 107.605 107.605 116.541 -8.936 25439 22942 1 31 . 1 1 73 73 ILE CB C 73 42.724 42.724 41.772 0.952 25439 22943 1 31 . 1 1 73 73 ILE H H 73 7.074 7.074 7.326 -0.252 25439 22944 1 31 . 1 1 74 74 SER N N 74 118.425 118.425 118.600 -0.175 25439 22945 1 31 . 1 1 74 74 SER HA H 74 4.484 4.484 4.889 -0.405 25439 22946 1 31 . 1 1 74 74 SER CA C 74 57.082 57.082 56.748 0.334 25439 22947 1 31 . 1 1 74 74 SER CB C 74 65.396 65.396 65.483 -0.087 25439 22948 1 31 . 1 1 74 74 SER H H 74 8.797 8.797 8.363 0.434 25439 22949 1 31 . 1 1 75 75 LYS N N 75 121.891 121.891 123.805 -1.914 25439 22950 1 31 . 1 1 75 75 LYS HA H 75 3.851 3.851 4.206 -0.355 25439 22951 1 31 . 1 1 75 75 LYS CA C 75 59.624 59.624 59.853 -0.229 25439 22952 1 31 . 1 1 75 75 LYS CB C 75 32.368 32.368 32.363 0.005 25439 22953 1 31 . 1 1 75 75 LYS H H 75 9.024 9.024 9.186 -0.162 25439 22954 1 31 . 1 1 76 76 ASP N N 76 115.908 115.908 118.700 -2.792 25439 22955 1 31 . 1 1 76 76 ASP HA H 76 4.423 4.423 4.413 0.010 25439 22956 1 31 . 1 1 76 76 ASP CA C 76 57.362 57.362 57.394 -0.032 25439 22957 1 31 . 1 1 76 76 ASP CB C 76 40.391 40.391 40.289 0.102 25439 22958 1 31 . 1 1 76 76 ASP H H 76 8.161 8.161 8.501 -0.340 25439 22959 1 31 . 1 1 77 77 LEU N N 77 121.705 121.705 121.390 0.315 25439 22960 1 31 . 1 1 77 77 LEU HA H 77 4.180 4.180 4.099 0.081 25439 22961 1 31 . 1 1 77 77 LEU CA C 77 57.818 57.818 57.824 -0.006 25439 22962 1 31 . 1 1 77 77 LEU H H 77 8.345 8.345 7.713 0.632 25439 22963 1 31 . 1 1 78 78 TYR N N 78 121.511 121.511 119.765 1.746 25439 22964 1 31 . 1 1 78 78 TYR HA H 78 3.789 3.789 3.988 -0.199 25439 22965 1 31 . 1 1 78 78 TYR CA C 78 62.857 62.857 60.553 2.304 25439 22966 1 31 . 1 1 78 78 TYR CB C 78 38.369 38.369 37.811 0.558 25439 22967 1 31 . 1 1 78 78 TYR H H 78 8.598 8.598 8.574 0.024 25439 22968 1 31 . 1 1 79 79 ASP N N 79 117.189 117.189 119.830 -2.641 25439 22969 1 31 . 1 1 79 79 ASP HA H 79 4.066 4.066 4.012 0.054 25439 22970 1 31 . 1 1 79 79 ASP CA C 79 57.219 57.219 57.528 -0.309 25439 22971 1 31 . 1 1 79 79 ASP CB C 79 40.003 40.003 40.693 -0.690 25439 22972 1 31 . 1 1 79 79 ASP H H 79 9.106 9.106 8.556 0.550 25439 22973 1 31 . 1 1 80 80 TRP N N 80 123.400 123.400 121.681 1.719 25439 22974 1 31 . 1 1 80 80 TRP HA H 80 4.160 4.160 4.116 0.044 25439 22975 1 31 . 1 1 80 80 TRP CA C 80 62.368 62.368 61.987 0.381 25439 22976 1 31 . 1 1 80 80 TRP CB C 80 29.969 29.969 29.408 0.561 25439 22977 1 31 . 1 1 80 80 TRP H H 80 7.931 7.931 8.407 -0.476 25439 22978 1 31 . 1 1 81 81 LEU N N 81 119.674 119.674 118.566 1.108 25439 22979 1 31 . 1 1 81 81 LEU HA H 81 3.971 3.971 2.816 1.155 25439 22980 1 31 . 1 1 81 81 LEU CA C 81 58.294 58.294 57.472 0.821 25439 22981 1 31 . 1 1 81 81 LEU CB C 81 41.818 41.818 41.562 0.256 25439 22982 1 31 . 1 1 81 81 LEU H H 81 8.814 8.814 7.899 0.915 25439 22983 1 31 . 1 1 82 82 ILE N N 82 118.746 118.746 119.648 -0.902 25439 22984 1 31 . 1 1 82 82 ILE HA H 82 3.861 3.861 3.965 -0.104 25439 22985 1 31 . 1 1 82 82 ILE CA C 82 62.734 62.734 63.040 -0.306 25439 22986 1 31 . 1 1 82 82 ILE CB C 82 36.236 36.236 36.567 -0.331 25439 22987 1 31 . 1 1 82 82 ILE H H 82 7.886 7.886 7.598 0.288 25439 22988 1 31 . 1 1 83 83 LYS N N 83 124.819 124.819 118.626 6.193 25439 22989 1 31 . 1 1 83 83 LYS HA H 83 3.911 3.911 4.133 -0.222 25439 22990 1 31 . 1 1 83 83 LYS CA C 83 59.643 59.643 57.697 1.946 25439 22991 1 31 . 1 1 83 83 LYS CB C 83 32.027 32.027 32.571 -0.544 25439 22992 1 31 . 1 1 83 83 LYS H H 83 8.224 8.224 7.611 0.613 25439 22993 1 31 . 1 1 84 84 GLU N N 84 115.404 115.404 118.198 -2.794 25439 22994 1 31 . 1 1 84 84 GLU HA H 84 3.841 3.841 4.302 -0.461 25439 22995 1 31 . 1 1 84 84 GLU CA C 84 55.582 55.582 54.925 0.657 25439 22996 1 31 . 1 1 84 84 GLU CB C 84 29.459 29.459 28.758 0.701 25439 22997 1 31 . 1 1 84 84 GLU H H 84 8.138 8.138 7.230 0.908 25439 22998 1 31 . 1 1 85 85 LYS N N 85 111.563 111.563 118.047 -6.484 25439 22999 1 31 . 1 1 85 85 LYS HA H 85 3.820 3.820 4.007 -0.187 25439 23000 1 31 . 1 1 85 85 LYS CA C 85 57.890 57.890 57.252 0.638 25439 23001 1 31 . 1 1 85 85 LYS CB C 85 28.005 28.005 30.650 -2.645 25439 23002 1 31 . 1 1 85 85 LYS H H 85 7.719 7.719 7.946 -0.227 25439 23003 1 31 . 1 1 86 86 TYR N N 86 116.916 116.916 117.499 -0.583 25439 23004 1 31 . 1 1 86 86 TYR HA H 86 4.137 4.137 4.387 -0.250 25439 23005 1 31 . 1 1 86 86 TYR CA C 86 61.228 61.228 58.027 3.201 25439 23006 1 31 . 1 1 86 86 TYR CB C 86 39.535 39.535 41.224 -1.689 25439 23007 1 31 . 1 1 86 86 TYR H H 86 8.521 8.521 8.032 0.489 25439 23008 1 31 . 1 1 87 87 ALA N N 87 113.715 113.715 117.997 -4.282 25439 23009 1 31 . 1 1 87 87 ALA HA H 87 4.738 4.738 4.199 0.539 25439 23010 1 31 . 1 1 87 87 ALA CA C 87 49.121 49.121 50.415 -1.294 25439 23011 1 31 . 1 1 87 87 ALA CB C 87 23.295 23.295 22.017 1.278 25439 23012 1 31 . 1 1 87 87 ALA H H 87 6.959 6.959 7.610 -0.651 25439 23013 1 31 . 1 1 88 88 ASP N N 88 119.344 119.344 120.132 -0.788 25439 23014 1 31 . 1 1 88 88 ASP HA H 88 4.544 4.544 5.018 -0.474 25439 23015 1 31 . 1 1 88 88 ASP CA C 88 52.714 52.714 52.807 -0.093 25439 23016 1 31 . 1 1 88 88 ASP CB C 88 41.845 41.845 43.267 -1.422 25439 23017 1 31 . 1 1 88 88 ASP H H 88 7.870 7.870 8.509 -0.639 25439 23018 1 31 . 1 1 89 89 LYS N N 89 125.312 125.312 126.870 -1.558 25439 23019 1 31 . 1 1 89 89 LYS HA H 89 3.834 3.834 4.049 -0.215 25439 23020 1 31 . 1 1 89 89 LYS CA C 89 59.409 59.409 59.750 -0.341 25439 23021 1 31 . 1 1 89 89 LYS CB C 89 32.848 32.848 32.474 0.374 25439 23022 1 31 . 1 1 89 89 LYS H H 89 8.467 8.467 8.802 -0.335 25439 23023 1 31 . 1 1 90 90 LEU N N 90 119.899 119.899 119.870 0.029 25439 23024 1 31 . 1 1 90 90 LEU HA H 90 4.023 4.023 4.022 0.001 25439 23025 1 31 . 1 1 90 90 LEU CA C 90 57.049 57.049 58.005 -0.956 25439 23026 1 31 . 1 1 90 90 LEU CB C 90 41.099 41.099 41.688 -0.590 25439 23027 1 31 . 1 1 90 90 LEU H H 90 8.076 8.076 8.205 -0.129 25439 23028 1 31 . 1 1 91 91 LEU N N 91 123.148 123.148 120.227 2.921 25439 23029 1 31 . 1 1 91 91 LEU HA H 91 3.498 3.498 3.759 -0.261 25439 23030 1 31 . 1 1 91 91 LEU CA C 91 56.971 56.971 57.792 -0.821 25439 23031 1 31 . 1 1 91 91 LEU CB C 91 41.823 41.823 41.676 0.147 25439 23032 1 31 . 1 1 91 91 LEU H H 91 7.120 7.120 7.409 -0.289 25439 23033 1 31 . 1 1 92 92 ILE N N 92 116.780 116.780 118.792 -2.012 25439 23034 1 31 . 1 1 92 92 ILE HA H 92 3.265 3.265 3.765 -0.500 25439 23035 1 31 . 1 1 92 92 ILE CA C 92 65.178 65.178 65.544 -0.366 25439 23036 1 31 . 1 1 92 92 ILE CB C 92 38.209 38.209 37.640 0.569 25439 23037 1 31 . 1 1 92 92 ILE H H 92 7.384 7.384 7.964 -0.580 25439 23038 1 31 . 1 1 93 93 ALA N N 93 117.061 117.061 122.633 -5.572 25439 23039 1 31 . 1 1 93 93 ALA HA H 93 3.930 3.930 4.046 -0.116 25439 23040 1 31 . 1 1 93 93 ALA CA C 93 54.839 54.839 55.447 -0.608 25439 23041 1 31 . 1 1 93 93 ALA CB C 93 18.125 18.125 18.103 0.022 25439 23042 1 31 . 1 1 93 93 ALA H H 93 7.437 7.437 8.484 -1.047 25439 23043 1 31 . 1 1 94 94 LYS N N 94 116.036 116.036 118.670 -2.634 25439 23044 1 31 . 1 1 94 94 LYS HA H 94 3.803 3.803 3.485 0.318 25439 23045 1 31 . 1 1 94 94 LYS CA C 94 56.945 56.945 59.073 -2.128 25439 23046 1 31 . 1 1 94 94 LYS CB C 94 31.047 31.047 31.757 -0.710 25439 23047 1 31 . 1 1 94 94 LYS H H 94 7.012 7.012 7.696 -0.684 25439 23048 1 31 . 1 1 95 95 TRP N N 95 118.700 118.700 116.690 2.010 25439 23049 1 31 . 1 1 95 95 TRP HA H 95 4.814 4.814 4.515 0.299 25439 23050 1 31 . 1 1 95 95 TRP CA C 95 57.136 57.136 58.883 -1.747 25439 23051 1 31 . 1 1 95 95 TRP CB C 95 28.171 28.171 29.212 -1.041 25439 23052 1 31 . 1 1 95 95 TRP H H 95 7.611 7.611 7.500 0.111 25439 23053 1 31 . 1 1 96 96 ARG N N 96 113.031 113.031 116.545 -3.514 25439 23054 1 31 . 1 1 96 96 ARG HA H 96 4.233 4.233 4.314 -0.081 25439 23055 1 31 . 1 1 96 96 ARG CA C 96 56.234 56.234 57.736 -1.502 25439 23056 1 31 . 1 1 96 96 ARG CB C 96 30.245 30.245 30.628 -0.383 25439 23057 1 31 . 1 1 96 96 ARG H H 96 7.066 7.066 7.566 -0.500 25439 23058 1 31 . 1 1 97 97 LYS N N 97 123.252 123.252 119.460 3.792 25439 23059 1 31 . 1 1 97 97 LYS HA H 97 4.634 4.634 4.292 0.342 25439 23060 1 31 . 1 1 97 97 LYS CA C 97 54.937 54.937 57.015 -2.078 25439 23061 1 31 . 1 1 97 97 LYS CB C 97 34.166 34.166 32.824 1.342 25439 23062 1 31 . 1 1 97 97 LYS H H 97 8.467 8.467 8.035 0.432 25439 23063 1 31 . 1 1 98 98 THR N N 98 119.993 119.993 114.797 5.196 25439 23064 1 31 . 1 1 98 98 THR HA H 98 4.224 4.224 4.396 -0.172 25439 23065 1 31 . 1 1 98 98 THR CA C 98 64.670 64.670 63.061 1.609 25439 23066 1 31 . 1 1 98 98 THR CB C 98 69.200 69.200 69.235 -0.035 25439 23067 1 31 . 1 1 98 98 THR H H 98 8.329 8.329 8.350 -0.021 25439 23068 1 31 . 1 1 99 99 GLY N N 99 116.645 116.645 114.546 2.099 25439 23069 1 31 . 1 1 99 99 GLY CA C 99 45.047 45.047 44.848 0.199 25439 23070 1 31 . 1 1 99 99 GLY H H 99 9.273 9.273 8.854 0.419 25439 23071 1 31 . 1 1 100 100 TYR N N 100 120.784 120.784 119.922 0.862 25439 23072 1 31 . 1 1 100 100 TYR HA H 100 4.704 4.704 4.749 -0.045 25439 23073 1 31 . 1 1 100 100 TYR CA C 100 57.697 57.697 55.980 1.717 25439 23074 1 31 . 1 1 100 100 TYR CB C 100 39.413 39.413 37.060 2.353 25439 23075 1 31 . 1 1 100 100 TYR H H 100 8.457 8.457 8.189 0.268 25439 23076 1 31 . 1 1 101 101 GLU N N 101 119.482 119.482 122.347 -2.865 25439 23077 1 31 . 1 1 101 101 GLU HA H 101 4.601 4.601 4.392 0.209 25439 23078 1 31 . 1 1 101 101 GLU CA C 101 61.207 61.207 57.317 3.890 25439 23079 1 31 . 1 1 101 101 GLU CB C 101 29.648 29.648 30.459 -0.811 25439 23080 1 31 . 1 1 101 101 GLU H H 101 9.836 9.836 8.702 1.134 25439 23081 1 31 . 1 1 102 102 LYS N N 102 115.179 115.179 121.015 -5.836 25439 23082 1 31 . 1 1 102 102 LYS HA H 102 4.295 4.295 4.602 -0.307 25439 23083 1 31 . 1 1 102 102 LYS CA C 102 54.207 54.207 55.313 -1.106 25439 23084 1 31 . 1 1 102 102 LYS CB C 102 32.489 32.489 32.630 -0.141 25439 23085 1 31 . 1 1 102 102 LYS H H 102 8.291 8.291 8.040 0.251 25439 23086 1 31 . 1 1 103 103 LEU N N 103 119.637 119.637 124.162 -4.525 25439 23087 1 31 . 1 1 103 103 LEU HA H 103 4.385 4.385 4.913 -0.528 25439 23088 1 31 . 1 1 103 103 LEU CA C 103 56.549 56.549 54.312 2.237 25439 23089 1 31 . 1 1 103 103 LEU CB C 103 43.864 43.864 44.788 -0.925 25439 23090 1 31 . 1 1 103 103 LEU H H 103 7.642 7.642 8.422 -0.780 25439 23091 1 31 . 1 1 104 104 CYS N N 104 129.651 129.651 121.735 7.916 25439 23092 1 31 . 1 1 104 104 CYS HA H 104 4.498 4.498 5.166 -0.668 25439 23093 1 31 . 1 1 104 104 CYS CA C 104 58.076 58.076 58.520 -0.444 25439 23094 1 31 . 1 1 104 104 CYS CB C 104 32.301 32.301 28.150 4.151 25439 23095 1 31 . 1 1 104 104 CYS H H 104 8.638 8.638 9.018 -0.380 25439 23096 1 31 . 1 1 105 105 CYS N N 105 120.206 120.206 118.159 2.047 25439 23097 1 31 . 1 1 105 105 CYS HA H 105 4.806 4.806 4.704 0.102 25439 23098 1 31 . 1 1 105 105 CYS CA C 105 58.271 58.271 57.032 1.239 25439 23099 1 31 . 1 1 105 105 CYS CB C 105 32.062 32.062 29.877 2.185 25439 23100 1 31 . 1 1 105 105 CYS H H 105 8.158 8.158 8.060 0.098 25439 23101 1 31 . 1 1 106 106 LEU N N 106 115.513 115.513 120.777 -5.264 25439 23102 1 31 . 1 1 106 106 LEU HA H 106 4.054 4.054 4.238 -0.184 25439 23103 1 31 . 1 1 106 106 LEU CA C 106 56.110 56.110 56.522 -0.411 25439 23104 1 31 . 1 1 106 106 LEU CB C 106 41.227 41.227 42.283 -1.056 25439 23105 1 31 . 1 1 106 106 LEU H H 106 8.466 8.466 8.048 0.418 25439 23106 1 31 . 1 1 107 107 ARG N N 107 122.711 122.711 119.248 3.463 25439 23107 1 31 . 1 1 107 107 ARG HA H 107 3.993 3.993 4.299 -0.306 25439 23108 1 31 . 1 1 107 107 ARG CA C 107 58.311 58.311 56.244 2.067 25439 23109 1 31 . 1 1 107 107 ARG CB C 107 28.965 28.965 29.355 -0.390 25439 23110 1 31 . 1 1 107 107 ARG H H 107 8.131 8.131 8.059 0.072 25439 23111 1 31 . 1 1 108 108 CYS N N 108 119.055 119.055 119.099 -0.044 25439 23112 1 31 . 1 1 108 108 CYS HA H 108 4.101 4.101 4.715 -0.614 25439 23113 1 31 . 1 1 108 108 CYS CA C 108 63.936 63.936 57.799 6.137 25439 23114 1 31 . 1 1 108 108 CYS CB C 108 30.934 30.934 27.045 3.889 25439 23115 1 31 . 1 1 108 108 CYS H H 108 8.010 8.010 8.127 -0.117 25439 23116 1 31 . 1 1 109 109 ILE N N 109 107.315 107.315 113.160 -5.845 25439 23117 1 31 . 1 1 109 109 ILE HA H 109 4.684 4.684 4.434 0.250 25439 23118 1 31 . 1 1 109 109 ILE CA C 109 60.483 60.483 61.040 -0.557 25439 23119 1 31 . 1 1 109 109 ILE CB C 109 38.320 38.320 39.092 -0.772 25439 23120 1 31 . 1 1 109 109 ILE H H 109 7.105 7.105 7.510 -0.405 25439 23121 1 31 . 1 1 110 110 GLN N N 110 122.468 122.468 120.869 1.599 25439 23122 1 31 . 1 1 110 110 GLN HA H 110 4.268 4.268 4.567 -0.299 25439 23123 1 31 . 1 1 110 110 GLN CA C 110 55.981 55.981 55.566 0.415 25439 23124 1 31 . 1 1 110 110 GLN CB C 110 29.656 29.656 29.110 0.546 25439 23125 1 31 . 1 1 110 110 GLN H H 110 7.156 7.156 8.105 -0.949 25439 23126 1 31 . 1 1 111 111 LYS N N 111 124.650 124.650 123.527 1.123 25439 23127 1 31 . 1 1 111 111 LYS HA H 111 4.246 4.246 4.366 -0.120 25439 23128 1 31 . 1 1 111 111 LYS CA C 111 56.546 56.546 57.200 -0.654 25439 23129 1 31 . 1 1 111 111 LYS CB C 111 32.846 32.846 33.451 -0.605 25439 23130 1 31 . 1 1 111 111 LYS H H 111 8.522 8.522 8.407 0.115 25439 23131 1 31 . 1 1 112 112 ASN N N 112 120.972 120.972 118.104 2.868 25439 23132 1 31 . 1 1 112 112 ASN HA H 112 4.778 4.778 4.891 -0.113 25439 23133 1 31 . 1 1 112 112 ASN CA C 112 52.902 52.902 53.024 -0.122 25439 23134 1 31 . 1 1 112 112 ASN CB C 112 39.328 39.328 39.482 -0.154 25439 23135 1 31 . 1 1 112 112 ASN H H 112 8.360 8.360 8.339 0.021 25439 23136 1 31 . 1 1 113 113 GLU N N 113 121.710 121.710 123.438 -1.728 25439 23137 1 31 . 1 1 113 113 GLU HA H 113 4.248 4.248 4.636 -0.388 25439 23138 1 31 . 1 1 113 113 GLU CA C 113 58.611 58.611 55.542 3.069 25439 23139 1 31 . 1 1 113 113 GLU CB C 113 29.590 29.590 32.300 -2.710 25439 23140 1 31 . 1 1 113 113 GLU H H 113 9.023 9.023 8.770 0.253 25439 23141 1 31 . 1 1 114 114 THR N N 114 112.186 112.186 112.397 -0.211 25439 23142 1 31 . 1 1 114 114 THR HA H 114 4.321 4.321 4.692 -0.371 25439 23143 1 31 . 1 1 114 114 THR CA C 114 63.161 63.161 61.110 2.051 25439 23144 1 31 . 1 1 114 114 THR CB C 114 69.481 69.481 70.855 -1.374 25439 23145 1 31 . 1 1 114 114 THR H H 114 8.112 8.112 8.477 -0.365 25439 23146 1 31 . 1 1 115 115 ASN N N 115 119.112 119.112 118.139 0.973 25439 23147 1 31 . 1 1 115 115 ASN HA H 115 4.829 4.829 4.291 0.538 25439 23148 1 31 . 1 1 115 115 ASN CA C 115 53.110 53.110 55.481 -2.371 25439 23149 1 31 . 1 1 115 115 ASN CB C 115 38.659 38.659 38.343 0.316 25439 23150 1 31 . 1 1 115 115 ASN H H 115 8.047 8.047 8.734 -0.687 25439 23151 1 31 . 1 1 116 116 ASN N N 116 117.175 117.175 118.096 -0.921 25439 23152 1 31 . 1 1 116 116 ASN HA H 116 4.615 4.615 4.875 -0.260 25439 23153 1 31 . 1 1 116 116 ASN CA C 116 53.965 53.965 52.158 1.807 25439 23154 1 31 . 1 1 116 116 ASN CB C 116 38.173 38.173 40.421 -2.248 25439 23155 1 31 . 1 1 116 116 ASN H H 116 8.364 8.364 8.426 -0.062 25439 23156 1 31 . 1 1 117 117 GLY N N 117 107.294 107.294 109.088 -1.794 25439 23157 1 31 . 1 1 117 117 GLY CA C 117 45.882 45.882 45.128 0.754 25439 23158 1 31 . 1 1 117 117 GLY H H 117 8.264 8.264 8.414 -0.150 25439 23159 1 31 . 1 1 118 118 SER N N 118 115.475 115.475 120.125 -4.650 25439 23160 1 31 . 1 1 118 118 SER HA H 118 4.586 4.586 4.737 -0.151 25439 23161 1 31 . 1 1 118 118 SER CA C 118 57.974 57.974 57.609 0.365 25439 23162 1 31 . 1 1 118 118 SER CB C 118 64.479 64.479 65.487 -1.008 25439 23163 1 31 . 1 1 118 118 SER H H 118 7.905 7.905 8.304 -0.399 25439 23164 1 31 . 1 1 119 119 THR N N 119 111.360 111.360 116.187 -4.827 25439 23165 1 31 . 1 1 119 119 THR HA H 119 4.450 4.450 4.621 -0.171 25439 23166 1 31 . 1 1 119 119 THR CA C 119 61.215 61.215 60.878 0.337 25439 23167 1 31 . 1 1 119 119 THR CB C 119 70.569 70.569 71.629 -1.060 25439 23168 1 31 . 1 1 119 119 THR H H 119 8.044 8.044 8.081 -0.037 25439 23169 1 31 . 1 1 120 120 CYS N N 120 122.708 122.708 120.772 1.936 25439 23170 1 31 . 1 1 120 120 CYS HA H 120 4.255 4.255 4.769 -0.514 25439 23171 1 31 . 1 1 120 120 CYS CA C 120 61.469 61.469 57.321 4.148 25439 23172 1 31 . 1 1 120 120 CYS CB C 120 30.892 30.892 29.620 1.272 25439 23173 1 31 . 1 1 120 120 CYS H H 120 8.045 8.045 8.520 -0.475 25439 23174 1 31 . 1 1 121 121 ILE N N 121 132.463 132.463 123.758 8.705 25439 23175 1 31 . 1 1 121 121 ILE HA H 121 4.025 4.025 3.804 0.221 25439 23176 1 31 . 1 1 121 121 ILE CA C 121 63.353 63.353 63.148 0.205 25439 23177 1 31 . 1 1 121 121 ILE CB C 121 38.222 38.222 37.580 0.642 25439 23178 1 31 . 1 1 121 121 ILE H H 121 8.237 8.237 8.420 -0.183 25439 23179 1 31 . 1 1 122 122 CYS N N 122 123.931 123.931 118.216 5.715 25439 23180 1 31 . 1 1 122 122 CYS HA H 122 4.233 4.233 4.206 0.027 25439 23181 1 31 . 1 1 122 122 CYS CA C 122 60.230 60.230 60.405 -0.175 25439 23182 1 31 . 1 1 122 122 CYS CB C 122 30.602 30.602 25.942 4.660 25439 23183 1 31 . 1 1 122 122 CYS H H 122 9.355 9.355 7.538 1.817 25439 23184 1 31 . 1 1 123 123 ARG N N 123 119.561 119.561 121.477 -1.916 25439 23185 1 31 . 1 1 123 123 ARG HA H 123 4.150 4.150 4.304 -0.154 25439 23186 1 31 . 1 1 123 123 ARG CA C 123 53.177 53.177 57.580 -4.403 25439 23187 1 31 . 1 1 123 123 ARG CB C 123 27.961 27.961 30.190 -2.229 25439 23188 1 31 . 1 1 123 123 ARG H H 123 7.677 7.677 7.658 0.019 25439 23189 1 31 . 1 1 124 124 VAL N N 124 122.794 122.794 121.043 1.751 25439 23190 1 31 . 1 1 124 124 VAL HA H 124 4.081 4.081 4.090 -0.009 25439 23191 1 31 . 1 1 124 124 VAL CA C 124 60.647 60.647 60.777 -0.130 25439 23192 1 31 . 1 1 124 124 VAL CB C 124 32.857 32.857 31.831 1.026 25439 23193 1 31 . 1 1 124 124 VAL H H 124 7.578 7.578 7.484 0.094 25439 23194 1 31 . 1 1 125 125 PRO HA H 125 4.263 4.263 4.550 -0.287 25439 23195 1 31 . 1 1 125 125 PRO CA C 125 63.268 63.268 62.332 0.936 25439 23196 1 31 . 1 1 125 125 PRO CB C 125 32.379 32.379 32.762 -0.383 25439 23197 1 31 . 1 1 126 126 ARG N N 126 128.350 128.350 120.922 7.428 25439 23198 1 31 . 1 1 126 126 ARG HA H 126 3.912 3.912 3.988 -0.076 25439 23199 1 31 . 1 1 126 126 ARG CA C 126 59.653 59.653 58.995 0.658 25439 23200 1 31 . 1 1 126 126 ARG CB C 126 29.339 29.339 29.432 -0.093 25439 23201 1 31 . 1 1 126 126 ARG H H 126 9.534 9.534 8.726 0.808 25439 23202 1 31 . 1 1 127 127 ALA N N 127 119.169 119.169 121.976 -2.807 25439 23203 1 31 . 1 1 127 127 ALA HA H 127 4.192 4.192 4.122 0.070 25439 23204 1 31 . 1 1 127 127 ALA CA C 127 55.227 55.227 54.975 0.252 25439 23205 1 31 . 1 1 127 127 ALA CB C 127 18.363 18.363 18.070 0.293 25439 23206 1 31 . 1 1 127 127 ALA H H 127 9.263 9.263 8.414 0.849 25439 23207 1 31 . 1 1 128 128 GLN N N 128 117.345 117.345 117.999 -0.654 25439 23208 1 31 . 1 1 128 128 GLN HA H 128 4.209 4.209 4.088 0.121 25439 23209 1 31 . 1 1 128 128 GLN CA C 128 58.506 58.506 58.682 -0.176 25439 23210 1 31 . 1 1 128 128 GLN CB C 128 28.220 28.220 28.280 -0.060 25439 23211 1 31 . 1 1 128 128 GLN H H 128 7.448 7.448 8.414 -0.966 25439 23212 1 31 . 1 1 129 129 LEU N N 129 120.561 120.561 120.635 -0.074 25439 23213 1 31 . 1 1 129 129 LEU HA H 129 4.088 4.088 4.211 -0.123 25439 23214 1 31 . 1 1 129 129 LEU CA C 129 57.952 57.952 58.065 -0.113 25439 23215 1 31 . 1 1 129 129 LEU CB C 129 41.817 41.817 41.805 0.012 25439 23216 1 31 . 1 1 129 129 LEU H H 129 7.622 7.622 7.535 0.087 25439 23217 1 31 . 1 1 130 130 GLU N N 130 119.122 119.122 118.487 0.635 25439 23218 1 31 . 1 1 130 130 GLU HA H 130 3.956 3.956 3.900 0.056 25439 23219 1 31 . 1 1 130 130 GLU CA C 130 59.353 59.353 59.938 -0.585 25439 23220 1 31 . 1 1 130 130 GLU CB C 130 29.337 29.337 29.210 0.127 25439 23221 1 31 . 1 1 130 130 GLU H H 130 8.656 8.656 8.544 0.112 25439 23222 1 31 . 1 1 131 131 GLU N N 131 121.469 121.469 119.155 2.314 25439 23223 1 31 . 1 1 131 131 GLU HA H 131 4.163 4.163 3.989 0.174 25439 23224 1 31 . 1 1 131 131 GLU CA C 131 59.288 59.288 59.838 -0.550 25439 23225 1 31 . 1 1 131 131 GLU CB C 131 29.422 29.422 29.508 -0.086 25439 23226 1 31 . 1 1 131 131 GLU H H 131 7.922 7.922 7.793 0.129 25439 23227 1 31 . 1 1 132 132 GLU N N 132 119.241 119.241 119.359 -0.118 25439 23228 1 31 . 1 1 132 132 GLU HA H 132 3.998 3.998 3.994 0.004 25439 23229 1 31 . 1 1 132 132 GLU CA C 132 59.327 59.327 59.350 -0.023 25439 23230 1 31 . 1 1 132 132 GLU CB C 132 29.421 29.421 29.278 0.143 25439 23231 1 31 . 1 1 132 132 GLU H H 132 8.099 8.099 7.528 0.571 25439 23232 1 31 . 1 1 133 133 ALA N N 133 121.302 121.302 121.666 -0.364 25439 23233 1 31 . 1 1 133 133 ALA HA H 133 4.053 4.053 4.053 0.000 25439 23234 1 31 . 1 1 133 133 ALA CA C 133 54.973 54.973 55.184 -0.211 25439 23235 1 31 . 1 1 133 133 ALA CB C 133 18.154 18.154 18.274 -0.120 25439 23236 1 31 . 1 1 133 133 ALA H H 133 7.795 7.795 7.654 0.141 25439 23237 1 31 . 1 1 134 134 ARG N N 134 118.757 118.757 117.968 0.789 25439 23238 1 31 . 1 1 134 134 ARG HA H 134 4.143 4.143 4.073 0.070 25439 23239 1 31 . 1 1 134 134 ARG CA C 134 59.438 59.438 59.084 0.354 25439 23240 1 31 . 1 1 134 134 ARG CB C 134 30.148 30.148 30.273 -0.126 25439 23241 1 31 . 1 1 134 134 ARG H H 134 8.145 8.145 7.945 0.200 25439 23242 1 31 . 1 1 135 135 LYS N N 135 119.496 119.496 118.884 0.612 25439 23243 1 31 . 1 1 135 135 LYS HA H 135 4.073 4.073 4.286 -0.213 25439 23244 1 31 . 1 1 135 135 LYS CA C 135 59.327 59.327 58.266 1.061 25439 23245 1 31 . 1 1 135 135 LYS CB C 135 32.539 32.539 32.803 -0.265 25439 23246 1 31 . 1 1 135 135 LYS H H 135 8.036 8.036 7.662 0.374 25439 23247 1 31 . 1 1 136 136 LYS N N 136 116.645 116.645 118.593 -1.948 25439 23248 1 31 . 1 1 136 136 LYS HA H 136 4.362 4.362 4.480 -0.118 25439 23249 1 31 . 1 1 136 136 LYS CA C 136 56.575 56.575 55.521 1.054 25439 23250 1 31 . 1 1 136 136 LYS CB C 136 33.629 33.629 32.453 1.176 25439 23251 1 31 . 1 1 136 136 LYS H H 136 7.682 7.682 7.898 -0.216 25439 23252 1 31 . 1 1 137 137 GLY N N 137 109.349 109.349 109.143 0.206 25439 23253 1 31 . 1 1 137 137 GLY CA C 137 46.358 46.358 46.159 0.199 25439 23254 1 31 . 1 1 137 137 GLY H H 137 8.064 8.064 8.065 -0.001 25439 23255 1 31 . 1 1 138 138 THR N N 138 112.870 112.870 113.309 -0.439 25439 23256 1 31 . 1 1 138 138 THR HA H 138 4.735 4.735 4.610 0.125 25439 23257 1 31 . 1 1 138 138 THR CA C 138 59.308 59.308 60.794 -1.486 25439 23258 1 31 . 1 1 138 138 THR CB C 138 70.755 70.755 71.123 -0.368 25439 23259 1 31 . 1 1 138 138 THR H H 138 8.111 8.111 8.026 0.085 25439 23260 1 31 . 1 1 139 139 GLN N N 139 118.177 118.177 120.204 -2.027 25439 23261 1 31 . 1 1 139 139 GLN HA H 139 4.609 4.609 4.557 0.052 25439 23262 1 31 . 1 1 139 139 GLN CA C 139 54.435 54.435 55.103 -0.668 25439 23263 1 31 . 1 1 139 139 GLN CB C 139 30.777 30.777 31.569 -0.792 25439 23264 1 31 . 1 1 139 139 GLN H H 139 8.227 8.227 8.243 -0.016 25439 23265 1 31 . 1 1 140 140 VAL N N 140 123.601 123.601 120.927 2.674 25439 23266 1 31 . 1 1 140 140 VAL HA H 140 3.790 3.790 4.574 -0.784 25439 23267 1 31 . 1 1 140 140 VAL CA C 140 63.934 63.934 61.019 2.916 25439 23268 1 31 . 1 1 140 140 VAL CB C 140 32.154 32.154 33.905 -1.751 25439 23269 1 31 . 1 1 140 140 VAL H H 140 8.839 8.839 8.668 0.171 25439 23270 1 31 . 1 1 141 141 SER HA H 141 4.524 4.524 4.593 -0.069 25439 23271 1 31 . 1 1 141 141 SER CA C 141 57.841 57.841 58.006 -0.165 25439 23272 1 31 . 1 1 141 141 SER CB C 141 64.174 64.174 63.627 0.547 25439 23273 1 31 . 1 1 142 142 PHE N N 142 123.726 123.726 124.901 -1.175 25439 23274 1 31 . 1 1 142 142 PHE HA H 142 4.458 4.458 4.782 -0.324 25439 23275 1 31 . 1 1 142 142 PHE CA C 142 58.673 58.673 58.051 0.622 25439 23276 1 31 . 1 1 142 142 PHE CB C 142 40.055 40.055 40.780 -0.725 25439 23277 1 31 . 1 1 142 142 PHE H H 142 7.534 7.534 8.184 -0.650 25439 23278 1 31 . 1 1 143 143 HIS N N 143 126.548 126.548 118.876 7.672 25439 23279 1 31 . 1 1 143 143 HIS HA H 143 4.336 4.336 4.317 0.018 25439 23280 1 31 . 1 1 143 143 HIS CA C 143 56.837 56.837 55.963 0.874 25439 23281 1 31 . 1 1 143 143 HIS CB C 143 31.949 31.949 32.260 -0.311 25439 23282 1 31 . 1 1 143 143 HIS H H 143 8.308 8.308 7.387 0.921 25439 23283 1 31 . 1 1 144 144 GLN N N 144 115.094 115.094 115.582 -0.488 25439 23284 1 31 . 1 1 144 144 GLN HA H 144 4.433 4.433 4.696 -0.263 25439 23285 1 31 . 1 1 144 144 GLN CA C 144 54.210 54.210 53.216 0.994 25439 23286 1 31 . 1 1 144 144 GLN CB C 144 32.925 32.925 32.096 0.829 25439 23287 1 31 . 1 1 144 144 GLN H H 144 7.203 7.203 7.011 0.192 25439 23288 1 31 . 1 1 145 145 CYS N N 145 123.088 123.088 119.184 3.904 25439 23289 1 31 . 1 1 145 145 CYS HA H 145 4.961 4.961 5.074 -0.113 25439 23290 1 31 . 1 1 145 145 CYS CA C 145 57.978 57.978 56.915 1.063 25439 23291 1 31 . 1 1 145 145 CYS CB C 145 33.555 33.555 29.984 3.571 25439 23292 1 31 . 1 1 145 145 CYS H H 145 8.668 8.668 8.451 0.217 25439 23293 1 31 . 1 1 146 146 VAL N N 146 113.265 113.265 118.658 -5.393 25439 23294 1 31 . 1 1 146 146 VAL HA H 146 4.238 4.238 4.228 0.010 25439 23295 1 31 . 1 1 146 146 VAL CA C 146 64.001 64.001 65.188 -1.187 25439 23296 1 31 . 1 1 146 146 VAL CB C 146 32.157 32.157 31.637 0.520 25439 23297 1 31 . 1 1 146 146 VAL H H 146 8.198 8.198 8.414 -0.216 25439 23298 1 31 . 1 1 147 147 HIS N N 147 120.556 120.556 118.924 1.632 25439 23299 1 31 . 1 1 147 147 HIS HA H 147 4.604 4.604 4.372 0.232 25439 23300 1 31 . 1 1 147 147 HIS CA C 147 58.708 58.708 58.883 -0.175 25439 23301 1 31 . 1 1 147 147 HIS CB C 147 32.204 32.204 29.538 2.667 25439 23302 1 31 . 1 1 147 147 HIS H H 147 7.151 7.151 8.301 -1.150 25439 23303 1 31 . 1 1 148 148 CYS N N 148 112.110 112.110 113.505 -1.395 25439 23304 1 31 . 1 1 148 148 CYS HA H 148 4.889 4.889 4.831 0.058 25439 23305 1 31 . 1 1 148 148 CYS CA C 148 57.952 57.952 55.611 2.341 25439 23306 1 31 . 1 1 148 148 CYS CB C 148 32.956 32.956 30.032 2.924 25439 23307 1 31 . 1 1 148 148 CYS H H 148 7.413 7.413 7.208 0.205 25439 23308 1 31 . 1 1 149 149 GLY N N 149 112.797 112.797 108.183 4.614 25439 23309 1 31 . 1 1 149 149 GLY CA C 149 45.327 45.327 44.236 1.091 25439 23310 1 31 . 1 1 149 149 GLY H H 149 6.949 6.949 8.357 -1.408 25439 23311 1 31 . 1 1 150 150 CYS N N 150 127.277 127.277 119.648 7.629 25439 23312 1 31 . 1 1 150 150 CYS HA H 150 3.932 3.932 4.555 -0.623 25439 23313 1 31 . 1 1 150 150 CYS CA C 150 61.362 61.362 57.046 4.316 25439 23314 1 31 . 1 1 150 150 CYS CB C 150 30.632 30.632 29.695 0.937 25439 23315 1 31 . 1 1 150 150 CYS H H 150 8.240 8.240 7.089 1.151 25439 23316 1 31 . 1 1 151 151 ARG N N 151 125.476 125.476 126.507 -1.031 25439 23317 1 31 . 1 1 151 151 ARG HA H 151 4.775 4.775 4.323 0.452 25439 23318 1 31 . 1 1 151 151 ARG CA C 151 56.164 56.164 55.020 1.144 25439 23319 1 31 . 1 1 151 151 ARG CB C 151 30.354 30.354 29.026 1.328 25439 23320 1 31 . 1 1 151 151 ARG H H 151 8.492 8.492 8.645 -0.153 25439 23321 1 31 . 1 1 152 152 GLY N N 152 117.275 117.275 108.290 8.985 25439 23322 1 31 . 1 1 152 152 GLY CA C 152 45.523 45.523 45.431 0.092 25439 23323 1 31 . 1 1 152 152 GLY H H 152 9.812 9.812 7.725 2.087 25439 23324 1 31 . 1 1 153 153 CYS N N 153 126.187 126.187 118.646 7.541 25439 23325 1 31 . 1 1 153 153 CYS HA H 153 4.842 4.842 4.819 0.023 25439 23326 1 31 . 1 1 153 153 CYS CA C 153 57.130 57.130 55.739 1.391 25439 23327 1 31 . 1 1 153 153 CYS CB C 153 31.368 31.368 28.562 2.805 25439 23328 1 31 . 1 1 153 153 CYS H H 153 8.930 8.930 8.068 0.862 25439 23329 1 31 . 1 1 154 154 ALA N N 154 125.869 125.869 125.444 0.425 25439 23330 1 31 . 1 1 154 154 ALA HA H 154 4.159 4.159 4.981 -0.822 25439 23331 1 31 . 1 1 154 154 ALA CA C 154 53.187 53.187 51.357 1.830 25439 23332 1 31 . 1 1 154 154 ALA CB C 154 18.937 18.937 21.988 -3.051 25439 23333 1 31 . 1 1 154 154 ALA H H 154 8.616 8.616 8.434 0.182 25439 23334 1 31 . 1 1 155 155 SER N N 155 116.724 116.724 121.303 -4.579 25439 23335 1 31 . 1 1 155 155 SER HA H 155 4.283 4.283 4.632 -0.349 25439 23336 1 31 . 1 1 155 155 SER CA C 155 60.136 60.136 56.934 3.202 25439 23337 1 31 . 1 1 155 155 SER CB C 155 63.575 63.575 62.529 1.046 25439 23338 1 31 . 1 1 155 155 SER H H 155 9.358 9.358 8.790 0.568 25439 23339 1 31 . 1 1 156 156 THR N N 156 111.893 111.893 113.613 -1.720 25439 23340 1 31 . 1 1 156 156 THR HA H 156 4.358 4.358 3.928 0.430 25439 23341 1 31 . 1 1 156 156 THR CA C 156 61.264 61.264 63.578 -2.314 25439 23342 1 31 . 1 1 156 156 THR CB C 156 69.999 69.999 67.599 2.400 25439 23343 1 31 . 1 1 156 156 THR H H 156 7.638 7.638 8.092 -0.454 25439 23344 1 32 . 1 1 0 0 GLY CA C 0 43.750 43.750 45.024 -1.274 25439 23345 1 32 . 1 1 1 1 SER N N 1 117.201 117.201 116.476 0.725 25439 23346 1 32 . 1 1 1 1 SER HA H 1 4.809 4.809 4.709 0.100 25439 23347 1 32 . 1 1 1 1 SER CA C 1 56.525 56.525 56.214 0.311 25439 23348 1 32 . 1 1 1 1 SER CB C 1 63.385 63.385 64.228 -0.843 25439 23349 1 32 . 1 1 1 1 SER H H 1 8.381 8.381 7.985 0.396 25439 23350 1 32 . 1 1 2 2 PRO HA H 2 4.468 4.468 4.515 -0.047 25439 23351 1 32 . 1 1 2 2 PRO CA C 2 63.292 63.292 64.051 -0.759 25439 23352 1 32 . 1 1 2 2 PRO CB C 2 32.174 32.174 32.293 -0.119 25439 23353 1 32 . 1 1 3 3 ARG N N 3 121.649 121.649 118.167 3.482 25439 23354 1 32 . 1 1 3 3 ARG HA H 3 4.324 4.324 4.619 -0.295 25439 23355 1 32 . 1 1 3 3 ARG CA C 3 56.226 56.226 55.085 1.141 25439 23356 1 32 . 1 1 3 3 ARG CB C 3 30.732 30.732 32.114 -1.381 25439 23357 1 32 . 1 1 3 3 ARG H H 3 8.428 8.428 7.665 0.763 25439 23358 1 32 . 1 1 4 4 ILE N N 4 122.500 122.500 118.999 3.501 25439 23359 1 32 . 1 1 4 4 ILE HA H 4 4.181 4.181 4.197 -0.016 25439 23360 1 32 . 1 1 4 4 ILE CA C 4 60.943 60.943 61.844 -0.901 25439 23361 1 32 . 1 1 4 4 ILE CB C 4 38.751 38.751 38.860 -0.109 25439 23362 1 32 . 1 1 4 4 ILE H H 4 8.165 8.165 8.177 -0.012 25439 23363 1 32 . 1 1 5 5 LYS N N 5 126.237 126.237 120.205 6.032 25439 23364 1 32 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.826 -0.424 25439 23365 1 32 . 1 1 5 5 LYS CA C 5 56.422 56.422 55.622 0.800 25439 23366 1 32 . 1 1 5 5 LYS CB C 5 33.130 33.130 35.434 -2.304 25439 23367 1 32 . 1 1 5 5 LYS H H 5 8.500 8.500 7.955 0.545 25439 23368 1 32 . 1 1 6 6 THR N N 6 116.495 116.495 115.036 1.459 25439 23369 1 32 . 1 1 6 6 THR HA H 6 4.323 4.323 4.587 -0.264 25439 23370 1 32 . 1 1 6 6 THR CA C 6 61.918 61.918 61.863 0.055 25439 23371 1 32 . 1 1 6 6 THR CB C 6 69.963 69.963 69.900 0.063 25439 23372 1 32 . 1 1 6 6 THR H H 6 8.194 8.194 8.285 -0.091 25439 23373 1 32 . 1 1 7 7 ARG N N 7 124.128 124.128 122.968 1.160 25439 23374 1 32 . 1 1 7 7 ARG HA H 7 4.396 4.396 4.652 -0.256 25439 23375 1 32 . 1 1 7 7 ARG CA C 7 56.128 56.128 55.494 0.634 25439 23376 1 32 . 1 1 7 7 ARG CB C 7 30.953 30.953 31.709 -0.756 25439 23377 1 32 . 1 1 7 7 ARG H H 7 8.458 8.458 8.443 0.015 25439 23378 1 32 . 1 1 8 8 ARG N N 8 123.384 123.384 121.076 2.308 25439 23379 1 32 . 1 1 8 8 ARG HA H 8 4.424 4.424 4.617 -0.193 25439 23380 1 32 . 1 1 8 8 ARG CA C 8 56.011 56.011 55.588 0.423 25439 23381 1 32 . 1 1 8 8 ARG CB C 8 31.058 31.058 30.738 0.320 25439 23382 1 32 . 1 1 8 8 ARG H H 8 8.526 8.526 8.541 -0.015 25439 23383 1 32 . 1 1 9 9 SER N N 9 118.446 118.446 117.087 1.359 25439 23384 1 32 . 1 1 9 9 SER HA H 9 4.473 4.473 4.660 -0.187 25439 23385 1 32 . 1 1 9 9 SER CA C 9 58.568 58.568 57.689 0.879 25439 23386 1 32 . 1 1 9 9 SER CB C 9 63.986 63.986 64.845 -0.859 25439 23387 1 32 . 1 1 9 9 SER H H 9 8.450 8.450 8.420 0.030 25439 23388 1 32 . 1 1 10 10 LYS N N 10 124.117 124.117 121.866 2.251 25439 23389 1 32 . 1 1 10 10 LYS HA H 10 4.673 4.673 4.888 -0.215 25439 23390 1 32 . 1 1 10 10 LYS CA C 10 54.412 54.412 54.109 0.303 25439 23391 1 32 . 1 1 10 10 LYS CB C 10 32.693 32.693 34.093 -1.400 25439 23392 1 32 . 1 1 10 10 LYS H H 10 8.426 8.426 8.591 -0.165 25439 23393 1 32 . 1 1 11 11 PRO HA H 11 4.360 4.360 4.618 -0.258 25439 23394 1 32 . 1 1 11 11 PRO CA C 11 62.861 62.861 62.459 0.402 25439 23395 1 32 . 1 1 11 11 PRO CB C 11 32.106 32.106 33.144 -1.038 25439 23396 1 32 . 1 1 12 12 ALA N N 12 124.420 124.420 122.641 1.779 25439 23397 1 32 . 1 1 12 12 ALA HA H 12 2.889 2.889 3.259 -0.370 25439 23398 1 32 . 1 1 12 12 ALA CA C 12 49.735 49.735 48.891 0.844 25439 23399 1 32 . 1 1 12 12 ALA CB C 12 18.066 18.066 17.782 0.284 25439 23400 1 32 . 1 1 12 12 ALA H H 12 7.890 7.890 7.872 0.018 25439 23401 1 32 . 1 1 13 13 PRO HA H 13 4.207 4.207 4.470 -0.263 25439 23402 1 32 . 1 1 13 13 PRO CA C 13 62.111 62.111 61.931 0.180 25439 23403 1 32 . 1 1 13 13 PRO CB C 13 32.582 32.582 32.103 0.479 25439 23404 1 32 . 1 1 14 14 ASP N N 14 119.535 119.535 119.714 -0.179 25439 23405 1 32 . 1 1 14 14 ASP HA H 14 4.379 4.379 4.272 0.107 25439 23406 1 32 . 1 1 14 14 ASP CA C 14 56.427 56.427 56.938 -0.511 25439 23407 1 32 . 1 1 14 14 ASP CB C 14 41.177 41.177 40.075 1.102 25439 23408 1 32 . 1 1 14 14 ASP H H 14 8.206 8.206 8.565 -0.359 25439 23409 1 32 . 1 1 15 15 GLY N N 15 113.273 113.273 107.557 5.716 25439 23410 1 32 . 1 1 15 15 GLY CA C 15 45.146 45.146 46.527 -1.381 25439 23411 1 32 . 1 1 15 15 GLY H H 15 8.723 8.723 8.394 0.329 25439 23412 1 32 . 1 1 16 16 PHE N N 16 123.113 123.113 122.543 0.570 25439 23413 1 32 . 1 1 16 16 PHE HA H 16 4.125 4.125 4.250 -0.125 25439 23414 1 32 . 1 1 16 16 PHE CA C 16 60.715 60.715 59.597 1.118 25439 23415 1 32 . 1 1 16 16 PHE CB C 16 39.639 39.639 39.056 0.583 25439 23416 1 32 . 1 1 16 16 PHE H H 16 8.127 8.127 8.301 -0.174 25439 23417 1 32 . 1 1 17 17 GLU N N 17 115.695 115.695 119.373 -3.678 25439 23418 1 32 . 1 1 17 17 GLU HA H 17 3.768 3.768 3.850 -0.082 25439 23419 1 32 . 1 1 17 17 GLU CA C 17 59.234 59.234 59.449 -0.215 25439 23420 1 32 . 1 1 17 17 GLU CB C 17 28.495 28.495 29.110 -0.615 25439 23421 1 32 . 1 1 17 17 GLU H H 17 9.088 9.088 8.037 1.051 25439 23422 1 32 . 1 1 18 18 LYS N N 18 115.887 115.887 117.329 -1.442 25439 23423 1 32 . 1 1 18 18 LYS HA H 18 4.165 4.165 4.073 0.092 25439 23424 1 32 . 1 1 18 18 LYS CA C 18 58.249 58.249 58.493 -0.244 25439 23425 1 32 . 1 1 18 18 LYS CB C 18 32.725 32.725 32.706 0.019 25439 23426 1 32 . 1 1 18 18 LYS H H 18 7.285 7.285 7.768 -0.483 25439 23427 1 32 . 1 1 19 19 ILE N N 19 110.277 110.277 110.696 -0.419 25439 23428 1 32 . 1 1 19 19 ILE HA H 19 4.722 4.722 4.714 0.008 25439 23429 1 32 . 1 1 19 19 ILE CA C 19 61.093 61.093 59.945 1.148 25439 23430 1 32 . 1 1 19 19 ILE CB C 19 39.139 39.139 38.225 0.914 25439 23431 1 32 . 1 1 19 19 ILE H H 19 7.031 7.031 7.490 -0.459 25439 23432 1 32 . 1 1 20 20 LYS N N 20 124.540 124.540 122.871 1.669 25439 23433 1 32 . 1 1 20 20 LYS HA H 20 3.603 3.603 3.750 -0.147 25439 23434 1 32 . 1 1 20 20 LYS CA C 20 60.917 60.917 59.548 1.369 25439 23435 1 32 . 1 1 20 20 LYS CB C 20 30.210 30.210 30.719 -0.509 25439 23436 1 32 . 1 1 20 20 LYS H H 20 7.666 7.666 7.485 0.181 25439 23437 1 32 . 1 1 21 21 PRO HA H 21 4.292 4.292 4.535 -0.243 25439 23438 1 32 . 1 1 21 21 PRO CA C 21 66.990 66.990 65.063 1.927 25439 23439 1 32 . 1 1 21 21 PRO CB C 21 30.779 30.779 31.720 -0.941 25439 23440 1 32 . 1 1 22 22 THR N N 22 114.917 114.917 115.438 -0.521 25439 23441 1 32 . 1 1 22 22 THR HA H 22 3.866 3.866 4.032 -0.166 25439 23442 1 32 . 1 1 22 22 THR CA C 22 66.575 66.575 66.496 0.079 25439 23443 1 32 . 1 1 22 22 THR CB C 22 68.731 68.731 68.486 0.245 25439 23444 1 32 . 1 1 22 22 THR H H 22 7.331 7.331 8.288 -0.957 25439 23445 1 32 . 1 1 23 23 LEU N N 23 120.152 120.152 120.297 -0.145 25439 23446 1 32 . 1 1 23 23 LEU HA H 23 4.397 4.397 3.855 0.542 25439 23447 1 32 . 1 1 23 23 LEU CA C 23 58.740 58.740 57.741 0.999 25439 23448 1 32 . 1 1 23 23 LEU CB C 23 40.489 40.489 41.940 -1.451 25439 23449 1 32 . 1 1 23 23 LEU H H 23 7.991 7.991 7.553 0.438 25439 23450 1 32 . 1 1 24 24 THR N N 24 119.365 119.365 113.720 5.645 25439 23451 1 32 . 1 1 24 24 THR HA H 24 4.095 4.095 3.898 0.197 25439 23452 1 32 . 1 1 24 24 THR CA C 24 66.834 66.834 66.567 0.267 25439 23453 1 32 . 1 1 24 24 THR CB C 24 68.614 68.614 68.501 0.113 25439 23454 1 32 . 1 1 24 24 THR H H 24 9.175 9.175 7.501 1.674 25439 23455 1 32 . 1 1 25 25 ASP N N 25 122.865 122.865 121.220 1.645 25439 23456 1 32 . 1 1 25 25 ASP HA H 25 4.483 4.483 4.387 0.096 25439 23457 1 32 . 1 1 25 25 ASP CA C 25 58.158 58.158 56.890 1.268 25439 23458 1 32 . 1 1 25 25 ASP CB C 25 40.329 40.329 40.709 -0.380 25439 23459 1 32 . 1 1 25 25 ASP H H 25 7.714 7.714 7.673 0.041 25439 23460 1 32 . 1 1 26 26 PHE N N 26 116.182 116.182 118.301 -2.119 25439 23461 1 32 . 1 1 26 26 PHE HA H 26 4.457 4.457 4.167 0.290 25439 23462 1 32 . 1 1 26 26 PHE CA C 26 62.531 62.531 61.682 0.849 25439 23463 1 32 . 1 1 26 26 PHE CB C 26 39.468 39.468 38.833 0.635 25439 23464 1 32 . 1 1 26 26 PHE H H 26 7.816 7.816 7.881 -0.065 25439 23465 1 32 . 1 1 27 27 GLU N N 27 120.107 120.107 118.494 1.613 25439 23466 1 32 . 1 1 27 27 GLU HA H 27 4.113 4.113 4.063 0.050 25439 23467 1 32 . 1 1 27 27 GLU CA C 27 59.852 59.852 59.489 0.363 25439 23468 1 32 . 1 1 27 27 GLU CB C 27 29.692 29.692 29.123 0.569 25439 23469 1 32 . 1 1 27 27 GLU H H 27 8.068 8.068 7.976 0.092 25439 23470 1 32 . 1 1 28 28 ILE N N 28 121.494 121.494 119.720 1.774 25439 23471 1 32 . 1 1 28 28 ILE HA H 28 3.718 3.718 3.762 -0.044 25439 23472 1 32 . 1 1 28 28 ILE CA C 28 65.002 65.002 62.872 2.130 25439 23473 1 32 . 1 1 28 28 ILE CB C 28 38.023 38.023 36.641 1.382 25439 23474 1 32 . 1 1 28 28 ILE H H 28 8.531 8.531 7.867 0.664 25439 23475 1 32 . 1 1 29 29 GLN N N 29 118.941 118.941 119.610 -0.669 25439 23476 1 32 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.033 0.147 25439 23477 1 32 . 1 1 29 29 GLN CA C 29 59.507 59.507 58.880 0.627 25439 23478 1 32 . 1 1 29 29 GLN CB C 29 29.783 29.783 28.501 1.282 25439 23479 1 32 . 1 1 29 29 GLN H H 29 8.117 8.117 7.413 0.704 25439 23480 1 32 . 1 1 30 30 LEU N N 30 121.724 121.724 120.634 1.090 25439 23481 1 32 . 1 1 30 30 LEU HA H 30 4.032 4.032 3.979 0.053 25439 23482 1 32 . 1 1 30 30 LEU CA C 30 58.333 58.333 58.465 -0.132 25439 23483 1 32 . 1 1 30 30 LEU CB C 30 42.339 42.339 41.859 0.480 25439 23484 1 32 . 1 1 30 30 LEU H H 30 8.677 8.677 8.523 0.154 25439 23485 1 32 . 1 1 31 31 ARG N N 31 120.629 120.629 118.918 1.711 25439 23486 1 32 . 1 1 31 31 ARG HA H 31 4.105 4.105 3.890 0.215 25439 23487 1 32 . 1 1 31 31 ARG CA C 31 59.340 59.340 60.183 -0.843 25439 23488 1 32 . 1 1 31 31 ARG CB C 31 30.044 30.044 29.707 0.337 25439 23489 1 32 . 1 1 31 31 ARG H H 31 8.227 8.227 8.498 -0.271 25439 23490 1 32 . 1 1 32 32 ASP N N 32 120.233 120.233 119.948 0.285 25439 23491 1 32 . 1 1 32 32 ASP HA H 32 4.484 4.484 4.373 0.111 25439 23492 1 32 . 1 1 32 32 ASP CA C 32 57.199 57.199 57.711 -0.512 25439 23493 1 32 . 1 1 32 32 ASP CB C 32 40.202 40.202 40.279 -0.077 25439 23494 1 32 . 1 1 32 32 ASP H H 32 8.407 8.407 7.765 0.642 25439 23495 1 32 . 1 1 33 33 ALA N N 33 121.939 121.939 122.062 -0.123 25439 23496 1 32 . 1 1 33 33 ALA HA H 33 4.321 4.321 3.931 0.390 25439 23497 1 32 . 1 1 33 33 ALA CA C 33 54.207 54.207 55.171 -0.964 25439 23498 1 32 . 1 1 33 33 ALA CB C 33 18.738 18.738 18.515 0.223 25439 23499 1 32 . 1 1 33 33 ALA H H 33 8.057 8.057 7.392 0.665 25439 23500 1 32 . 1 1 34 34 GLN N N 34 114.736 114.736 116.559 -1.823 25439 23501 1 32 . 1 1 34 34 GLN HA H 34 4.248 4.248 4.039 0.209 25439 23502 1 32 . 1 1 34 34 GLN CA C 34 56.567 56.567 58.650 -2.083 25439 23503 1 32 . 1 1 34 34 GLN CB C 34 29.743 29.743 28.892 0.851 25439 23504 1 32 . 1 1 34 34 GLN H H 34 7.746 7.746 8.457 -0.711 25439 23505 1 32 . 1 1 35 35 LYS N N 35 120.534 120.534 116.946 3.588 25439 23506 1 32 . 1 1 35 35 LYS HA H 35 4.232 4.232 4.392 -0.160 25439 23507 1 32 . 1 1 35 35 LYS CA C 35 57.427 57.427 57.019 0.408 25439 23508 1 32 . 1 1 35 35 LYS CB C 35 32.887 32.887 32.701 0.186 25439 23509 1 32 . 1 1 35 35 LYS H H 35 7.570 7.570 7.920 -0.350 25439 23510 1 32 . 1 1 36 36 ASP N N 36 120.943 120.943 121.139 -0.196 25439 23511 1 32 . 1 1 36 36 ASP HA H 36 4.595 4.595 4.330 0.265 25439 23512 1 32 . 1 1 36 36 ASP CA C 36 54.983 54.983 56.872 -1.889 25439 23513 1 32 . 1 1 36 36 ASP CB C 36 41.129 41.129 40.574 0.555 25439 23514 1 32 . 1 1 36 36 ASP H H 36 8.375 8.375 8.267 0.108 25439 23515 1 32 . 1 1 37 37 LYS N N 37 122.598 122.598 117.794 4.804 25439 23516 1 32 . 1 1 37 37 LYS HA H 37 4.365 4.365 3.894 0.471 25439 23517 1 32 . 1 1 37 37 LYS CA C 37 56.725 56.725 58.621 -1.896 25439 23518 1 32 . 1 1 37 37 LYS CB C 37 32.823 32.823 32.805 0.018 25439 23519 1 32 . 1 1 37 37 LYS H H 37 8.446 8.446 7.640 0.806 25439 23520 1 32 . 1 1 38 38 SER N N 38 115.849 115.849 113.284 2.565 25439 23521 1 32 . 1 1 38 38 SER HA H 38 4.423 4.423 4.163 0.260 25439 23522 1 32 . 1 1 38 38 SER CA C 38 59.193 59.193 59.132 0.062 25439 23523 1 32 . 1 1 38 38 SER CB C 38 63.744 63.744 62.725 1.019 25439 23524 1 32 . 1 1 38 38 SER H H 38 8.392 8.392 7.778 0.614 25439 23525 1 32 . 1 1 39 39 SER N N 39 117.258 117.258 115.287 1.971 25439 23526 1 32 . 1 1 39 39 SER HA H 39 4.445 4.445 4.439 0.006 25439 23527 1 32 . 1 1 39 39 SER CA C 39 58.933 58.933 59.554 -0.621 25439 23528 1 32 . 1 1 39 39 SER CB C 39 63.711 63.711 63.462 0.249 25439 23529 1 32 . 1 1 39 39 SER H H 39 8.283 8.283 8.419 -0.136 25439 23530 1 32 . 1 1 40 40 LYS N N 40 122.427 122.427 122.304 0.123 25439 23531 1 32 . 1 1 40 40 LYS HA H 40 4.321 4.321 4.502 -0.181 25439 23532 1 32 . 1 1 40 40 LYS CA C 40 56.847 56.847 55.574 1.273 25439 23533 1 32 . 1 1 40 40 LYS CB C 40 32.764 32.764 31.686 1.079 25439 23534 1 32 . 1 1 40 40 LYS H H 40 8.263 8.263 8.310 -0.047 25439 23535 1 32 . 1 1 41 41 LEU N N 41 121.281 121.281 121.592 -0.311 25439 23536 1 32 . 1 1 41 41 LEU HA H 41 4.308 4.308 4.472 -0.164 25439 23537 1 32 . 1 1 41 41 LEU CA C 41 55.335 55.335 55.390 -0.055 25439 23538 1 32 . 1 1 41 41 LEU CB C 41 42.212 42.212 43.985 -1.773 25439 23539 1 32 . 1 1 41 41 LEU H H 41 8.068 8.068 8.139 -0.071 25439 23540 1 32 . 1 1 42 42 ALA N N 42 123.964 123.964 121.837 2.127 25439 23541 1 32 . 1 1 42 42 ALA HA H 42 4.274 4.274 3.910 0.364 25439 23542 1 32 . 1 1 42 42 ALA CA C 42 52.851 52.851 52.420 0.431 25439 23543 1 32 . 1 1 42 42 ALA CB C 42 19.135 19.135 18.287 0.848 25439 23544 1 32 . 1 1 42 42 ALA H H 42 8.111 8.111 8.082 0.029 25439 23545 1 32 . 1 1 43 43 ALA N N 43 122.146 122.146 121.526 0.620 25439 23546 1 32 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.041 0.256 25439 23547 1 32 . 1 1 43 43 ALA CA C 43 52.727 52.727 52.462 0.265 25439 23548 1 32 . 1 1 43 43 ALA CB C 43 19.318 19.318 18.863 0.456 25439 23549 1 32 . 1 1 43 43 ALA H H 43 8.101 8.101 8.405 -0.304 25439 23550 1 32 . 1 1 44 44 LYS N N 44 119.454 119.454 118.405 1.049 25439 23551 1 32 . 1 1 44 44 LYS HA H 44 4.349 4.349 3.856 0.493 25439 23552 1 32 . 1 1 44 44 LYS CA C 44 56.267 56.267 56.880 -0.613 25439 23553 1 32 . 1 1 44 44 LYS CB C 44 32.825 32.825 31.548 1.277 25439 23554 1 32 . 1 1 44 44 LYS H H 44 8.198 8.198 8.405 -0.207 25439 23555 1 32 . 1 1 45 45 SER N N 45 116.660 116.660 114.745 1.915 25439 23556 1 32 . 1 1 45 45 SER HA H 45 4.368 4.368 4.413 -0.045 25439 23557 1 32 . 1 1 45 45 SER CA C 45 58.477 58.477 59.317 -0.840 25439 23558 1 32 . 1 1 45 45 SER CB C 45 64.063 64.063 63.993 0.070 25439 23559 1 32 . 1 1 45 45 SER H H 45 8.251 8.251 8.084 0.167 25439 23560 1 32 . 1 1 46 46 ASN N N 46 120.516 120.516 119.897 0.619 25439 23561 1 32 . 1 1 46 46 ASN HA H 46 4.361 4.361 4.236 0.125 25439 23562 1 32 . 1 1 46 46 ASN CA C 46 54.657 54.657 56.482 -1.825 25439 23563 1 32 . 1 1 46 46 ASN CB C 46 37.649 37.649 38.074 -0.425 25439 23564 1 32 . 1 1 46 46 ASN H H 46 8.498 8.498 8.418 0.080 25439 23565 1 32 . 1 1 47 47 GLU N N 47 117.964 117.964 117.993 -0.029 25439 23566 1 32 . 1 1 47 47 GLU HA H 47 3.350 3.350 2.910 0.440 25439 23567 1 32 . 1 1 47 47 GLU CA C 47 59.213 59.213 59.070 0.143 25439 23568 1 32 . 1 1 47 47 GLU CB C 47 28.998 28.998 28.870 0.128 25439 23569 1 32 . 1 1 47 47 GLU H H 47 8.016 8.016 8.053 -0.037 25439 23570 1 32 . 1 1 48 48 GLN N N 48 119.468 119.468 119.180 0.288 25439 23571 1 32 . 1 1 48 48 GLN HA H 48 4.250 4.250 4.022 0.228 25439 23572 1 32 . 1 1 48 48 GLN CA C 48 58.529 58.529 58.734 -0.205 25439 23573 1 32 . 1 1 48 48 GLN CB C 48 28.902 28.902 28.320 0.582 25439 23574 1 32 . 1 1 48 48 GLN H H 48 7.892 7.892 7.231 0.661 25439 23575 1 32 . 1 1 49 49 LEU N N 49 120.145 120.145 119.140 1.005 25439 23576 1 32 . 1 1 49 49 LEU HA H 49 4.232 4.232 4.121 0.111 25439 23577 1 32 . 1 1 49 49 LEU CA C 49 57.479 57.479 57.330 0.150 25439 23578 1 32 . 1 1 49 49 LEU CB C 49 41.391 41.391 41.546 -0.155 25439 23579 1 32 . 1 1 49 49 LEU H H 49 7.699 7.699 7.404 0.295 25439 23580 1 32 . 1 1 50 50 TRP N N 50 119.596 119.596 119.744 -0.148 25439 23581 1 32 . 1 1 50 50 TRP HA H 50 4.520 4.520 4.397 0.123 25439 23582 1 32 . 1 1 50 50 TRP CA C 50 58.353 58.353 58.812 -0.459 25439 23583 1 32 . 1 1 50 50 TRP CB C 50 28.880 28.880 28.031 0.849 25439 23584 1 32 . 1 1 50 50 TRP H H 50 8.385 8.385 8.022 0.363 25439 23585 1 32 . 1 1 51 51 GLU N N 51 119.362 119.362 118.613 0.749 25439 23586 1 32 . 1 1 51 51 GLU HA H 51 4.145 4.145 4.236 -0.091 25439 23587 1 32 . 1 1 51 51 GLU CA C 51 60.035 60.035 59.787 0.248 25439 23588 1 32 . 1 1 51 51 GLU CB C 51 29.675 29.675 29.265 0.410 25439 23589 1 32 . 1 1 51 51 GLU H H 51 8.223 8.223 7.763 0.460 25439 23590 1 32 . 1 1 52 52 ILE N N 52 119.018 119.018 120.233 -1.215 25439 23591 1 32 . 1 1 52 52 ILE HA H 52 3.673 3.673 3.701 -0.028 25439 23592 1 32 . 1 1 52 52 ILE CA C 52 65.511 65.511 65.204 0.307 25439 23593 1 32 . 1 1 52 52 ILE CB C 52 38.532 38.532 38.092 0.440 25439 23594 1 32 . 1 1 52 52 ILE H H 52 7.801 7.801 7.219 0.582 25439 23595 1 32 . 1 1 53 53 MET N N 53 118.133 118.133 117.223 0.910 25439 23596 1 32 . 1 1 53 53 MET HA H 53 4.452 4.452 4.095 0.357 25439 23597 1 32 . 1 1 53 53 MET CA C 53 58.216 58.216 58.563 -0.347 25439 23598 1 32 . 1 1 53 53 MET CB C 53 31.838 31.838 31.418 0.420 25439 23599 1 32 . 1 1 53 53 MET H H 53 8.411 8.411 8.593 -0.182 25439 23600 1 32 . 1 1 54 54 GLN N N 54 120.855 120.855 119.537 1.318 25439 23601 1 32 . 1 1 54 54 GLN HA H 54 4.333 4.333 3.920 0.413 25439 23602 1 32 . 1 1 54 54 GLN CA C 54 59.004 59.004 58.593 0.411 25439 23603 1 32 . 1 1 54 54 GLN CB C 54 27.824 27.824 28.593 -0.769 25439 23604 1 32 . 1 1 54 54 GLN H H 54 8.860 8.860 8.172 0.688 25439 23605 1 32 . 1 1 55 55 LEU N N 55 122.788 122.788 119.841 2.947 25439 23606 1 32 . 1 1 55 55 LEU HA H 55 4.302 4.302 4.163 0.139 25439 23607 1 32 . 1 1 55 55 LEU CA C 55 58.685 58.685 57.523 1.162 25439 23608 1 32 . 1 1 55 55 LEU CB C 55 42.695 42.695 40.770 1.925 25439 23609 1 32 . 1 1 55 55 LEU H H 55 8.298 8.298 7.937 0.361 25439 23610 1 32 . 1 1 56 56 HIS N N 56 118.426 118.426 118.583 -0.157 25439 23611 1 32 . 1 1 56 56 HIS HA H 56 4.317 4.317 4.354 -0.037 25439 23612 1 32 . 1 1 56 56 HIS CA C 56 60.732 60.732 59.912 0.820 25439 23613 1 32 . 1 1 56 56 HIS CB C 56 30.530 30.530 29.597 0.933 25439 23614 1 32 . 1 1 56 56 HIS H H 56 8.416 8.416 7.950 0.466 25439 23615 1 32 . 1 1 57 57 HIS N N 57 121.197 121.197 119.059 2.138 25439 23616 1 32 . 1 1 57 57 HIS HA H 57 4.318 4.318 4.603 -0.285 25439 23617 1 32 . 1 1 57 57 HIS CA C 57 60.739 60.739 58.702 2.037 25439 23618 1 32 . 1 1 57 57 HIS CB C 57 28.726 28.726 30.188 -1.462 25439 23619 1 32 . 1 1 57 57 HIS H H 57 8.608 8.608 8.259 0.349 25439 23620 1 32 . 1 1 58 58 GLN N N 58 118.739 118.739 119.437 -0.698 25439 23621 1 32 . 1 1 58 58 GLN HA H 58 4.202 4.202 4.162 0.040 25439 23622 1 32 . 1 1 58 58 GLN CA C 58 59.507 59.507 59.768 -0.261 25439 23623 1 32 . 1 1 58 58 GLN CB C 58 29.111 29.111 28.856 0.255 25439 23624 1 32 . 1 1 58 58 GLN H H 58 9.206 9.206 8.097 1.109 25439 23625 1 32 . 1 1 59 59 ARG N N 59 122.498 122.498 120.716 1.782 25439 23626 1 32 . 1 1 59 59 ARG HA H 59 3.437 3.437 3.898 -0.461 25439 23627 1 32 . 1 1 59 59 ARG CA C 59 60.361 60.361 59.705 0.656 25439 23628 1 32 . 1 1 59 59 ARG H H 59 8.623 8.623 9.052 -0.429 25439 23629 1 32 . 1 1 60 60 SER N N 60 114.930 114.930 115.397 -0.467 25439 23630 1 32 . 1 1 60 60 SER HA H 60 4.515 4.515 4.297 0.218 25439 23631 1 32 . 1 1 60 60 SER CA C 60 64.832 64.832 62.329 2.503 25439 23632 1 32 . 1 1 60 60 SER CB C 60 63.583 63.583 63.063 0.520 25439 23633 1 32 . 1 1 60 60 SER H H 60 7.993 7.993 8.425 -0.432 25439 23634 1 32 . 1 1 61 61 ARG N N 61 124.417 124.417 122.667 1.750 25439 23635 1 32 . 1 1 61 61 ARG HA H 61 4.204 4.204 4.054 0.150 25439 23636 1 32 . 1 1 61 61 ARG CA C 61 58.852 58.852 59.763 -0.911 25439 23637 1 32 . 1 1 61 61 ARG CB C 61 29.077 29.077 30.185 -1.108 25439 23638 1 32 . 1 1 61 61 ARG H H 61 9.569 9.569 8.553 1.016 25439 23639 1 32 . 1 1 62 62 TYR N N 62 124.484 124.484 121.148 3.336 25439 23640 1 32 . 1 1 62 62 TYR HA H 62 4.676 4.676 4.302 0.374 25439 23641 1 32 . 1 1 62 62 TYR CA C 62 61.006 61.006 62.011 -1.005 25439 23642 1 32 . 1 1 62 62 TYR CB C 62 38.392 38.392 38.769 -0.377 25439 23643 1 32 . 1 1 62 62 TYR H H 62 8.622 8.622 8.363 0.259 25439 23644 1 32 . 1 1 63 63 ILE N N 63 119.789 119.789 119.108 0.681 25439 23645 1 32 . 1 1 63 63 ILE HA H 63 3.492 3.492 3.718 -0.226 25439 23646 1 32 . 1 1 63 63 ILE CA C 63 65.693 65.693 65.638 0.055 25439 23647 1 32 . 1 1 63 63 ILE CB C 63 38.023 38.023 38.229 -0.206 25439 23648 1 32 . 1 1 63 63 ILE H H 63 7.588 7.588 8.598 -1.010 25439 23649 1 32 . 1 1 64 64 TYR N N 64 120.485 120.485 121.160 -0.675 25439 23650 1 32 . 1 1 64 64 TYR HA H 64 4.577 4.577 4.230 0.347 25439 23651 1 32 . 1 1 64 64 TYR CA C 64 61.759 61.759 62.412 -0.653 25439 23652 1 32 . 1 1 64 64 TYR CB C 64 39.772 39.772 38.599 1.173 25439 23653 1 32 . 1 1 64 64 TYR H H 64 9.166 9.166 9.128 0.038 25439 23654 1 32 . 1 1 65 65 THR N N 65 117.072 117.072 117.203 -0.131 25439 23655 1 32 . 1 1 65 65 THR HA H 65 3.562 3.562 4.019 -0.457 25439 23656 1 32 . 1 1 65 65 THR CA C 65 67.016 67.016 67.552 -0.536 25439 23657 1 32 . 1 1 65 65 THR CB C 65 68.711 68.711 68.911 -0.200 25439 23658 1 32 . 1 1 65 65 THR H H 65 8.987 8.987 8.850 0.137 25439 23659 1 32 . 1 1 66 66 LEU N N 66 122.107 122.107 120.236 1.871 25439 23660 1 32 . 1 1 66 66 LEU HA H 66 3.782 3.782 4.241 -0.459 25439 23661 1 32 . 1 1 66 66 LEU CA C 66 58.476 58.476 58.005 0.471 25439 23662 1 32 . 1 1 66 66 LEU CB C 66 43.183 43.183 41.007 2.176 25439 23663 1 32 . 1 1 66 66 LEU H H 66 8.286 8.286 7.665 0.621 25439 23664 1 32 . 1 1 67 67 TYR N N 67 115.264 115.264 119.458 -4.194 25439 23665 1 32 . 1 1 67 67 TYR HA H 67 4.344 4.344 4.060 0.284 25439 23666 1 32 . 1 1 67 67 TYR CA C 67 60.830 60.830 61.584 -0.754 25439 23667 1 32 . 1 1 67 67 TYR CB C 67 40.376 40.376 39.393 0.983 25439 23668 1 32 . 1 1 67 67 TYR H H 67 7.983 7.983 8.248 -0.265 25439 23669 1 32 . 1 1 68 68 TYR N N 68 113.945 113.945 116.393 -2.448 25439 23670 1 32 . 1 1 68 68 TYR HA H 68 3.699 3.699 4.277 -0.578 25439 23671 1 32 . 1 1 68 68 TYR CA C 68 62.030 62.030 60.391 1.639 25439 23672 1 32 . 1 1 68 68 TYR CB C 68 38.046 38.046 38.879 -0.833 25439 23673 1 32 . 1 1 68 68 TYR H H 68 8.297 8.297 8.346 -0.049 25439 23674 1 32 . 1 1 69 69 LYS N N 69 114.346 114.346 119.188 -4.842 25439 23675 1 32 . 1 1 69 69 LYS HA H 69 4.564 4.564 4.434 0.130 25439 23676 1 32 . 1 1 69 69 LYS CA C 69 56.821 56.821 57.438 -0.617 25439 23677 1 32 . 1 1 69 69 LYS CB C 69 31.980 31.980 33.193 -1.213 25439 23678 1 32 . 1 1 69 69 LYS H H 69 7.084 7.084 7.573 -0.489 25439 23679 1 32 . 1 1 70 70 ARG N N 70 114.676 114.676 118.848 -4.172 25439 23680 1 32 . 1 1 70 70 ARG HA H 70 4.251 4.251 4.117 0.134 25439 23681 1 32 . 1 1 70 70 ARG CA C 70 56.314 56.314 57.015 -0.701 25439 23682 1 32 . 1 1 70 70 ARG CB C 70 31.128 31.128 30.876 0.252 25439 23683 1 32 . 1 1 70 70 ARG H H 70 8.178 8.178 8.016 0.162 25439 23684 1 32 . 1 1 71 71 LYS N N 71 115.371 115.371 115.279 0.092 25439 23685 1 32 . 1 1 71 71 LYS HA H 71 4.036 4.036 3.735 0.301 25439 23686 1 32 . 1 1 71 71 LYS CA C 71 57.121 57.121 57.072 0.049 25439 23687 1 32 . 1 1 71 71 LYS CB C 71 28.897 28.897 30.062 -1.165 25439 23688 1 32 . 1 1 71 71 LYS H H 71 6.843 6.843 7.919 -1.076 25439 23689 1 32 . 1 1 72 72 ALA N N 72 117.701 117.701 121.026 -3.325 25439 23690 1 32 . 1 1 72 72 ALA HA H 72 4.395 4.395 4.399 -0.004 25439 23691 1 32 . 1 1 72 72 ALA CA C 72 52.597 52.597 51.830 0.767 25439 23692 1 32 . 1 1 72 72 ALA CB C 72 21.560 21.560 19.736 1.824 25439 23693 1 32 . 1 1 72 72 ALA H H 72 8.560 8.560 7.626 0.934 25439 23694 1 32 . 1 1 73 73 ILE N N 73 107.605 107.605 117.273 -9.668 25439 23695 1 32 . 1 1 73 73 ILE CB C 73 42.724 42.724 41.523 1.201 25439 23696 1 32 . 1 1 73 73 ILE H H 73 7.074 7.074 7.576 -0.502 25439 23697 1 32 . 1 1 74 74 SER N N 74 118.425 118.425 118.052 0.373 25439 23698 1 32 . 1 1 74 74 SER HA H 74 4.484 4.484 4.855 -0.371 25439 23699 1 32 . 1 1 74 74 SER CA C 74 57.082 57.082 57.397 -0.315 25439 23700 1 32 . 1 1 74 74 SER CB C 74 65.396 65.396 64.978 0.418 25439 23701 1 32 . 1 1 74 74 SER H H 74 8.797 8.797 8.416 0.381 25439 23702 1 32 . 1 1 75 75 LYS N N 75 121.891 121.891 125.210 -3.319 25439 23703 1 32 . 1 1 75 75 LYS HA H 75 3.851 3.851 4.225 -0.374 25439 23704 1 32 . 1 1 75 75 LYS CA C 75 59.624 59.624 60.170 -0.546 25439 23705 1 32 . 1 1 75 75 LYS CB C 75 32.368 32.368 32.473 -0.105 25439 23706 1 32 . 1 1 75 75 LYS H H 75 9.024 9.024 9.137 -0.113 25439 23707 1 32 . 1 1 76 76 ASP N N 76 115.908 115.908 118.314 -2.406 25439 23708 1 32 . 1 1 76 76 ASP HA H 76 4.423 4.423 4.421 0.002 25439 23709 1 32 . 1 1 76 76 ASP CA C 76 57.362 57.362 57.710 -0.348 25439 23710 1 32 . 1 1 76 76 ASP CB C 76 40.391 40.391 40.330 0.061 25439 23711 1 32 . 1 1 76 76 ASP H H 76 8.161 8.161 8.519 -0.358 25439 23712 1 32 . 1 1 77 77 LEU N N 77 121.705 121.705 121.442 0.263 25439 23713 1 32 . 1 1 77 77 LEU HA H 77 4.180 4.180 4.127 0.053 25439 23714 1 32 . 1 1 77 77 LEU CA C 77 57.818 57.818 57.835 -0.017 25439 23715 1 32 . 1 1 77 77 LEU H H 77 8.345 8.345 7.745 0.600 25439 23716 1 32 . 1 1 78 78 TYR N N 78 121.511 121.511 120.017 1.494 25439 23717 1 32 . 1 1 78 78 TYR HA H 78 3.789 3.789 3.993 -0.204 25439 23718 1 32 . 1 1 78 78 TYR CA C 78 62.857 62.857 60.747 2.110 25439 23719 1 32 . 1 1 78 78 TYR CB C 78 38.369 38.369 37.790 0.579 25439 23720 1 32 . 1 1 78 78 TYR H H 78 8.598 8.598 8.720 -0.122 25439 23721 1 32 . 1 1 79 79 ASP N N 79 117.189 117.189 119.580 -2.391 25439 23722 1 32 . 1 1 79 79 ASP HA H 79 4.066 4.066 4.039 0.027 25439 23723 1 32 . 1 1 79 79 ASP CA C 79 57.219 57.219 56.869 0.350 25439 23724 1 32 . 1 1 79 79 ASP CB C 79 40.003 40.003 40.513 -0.510 25439 23725 1 32 . 1 1 79 79 ASP H H 79 9.106 9.106 8.682 0.424 25439 23726 1 32 . 1 1 80 80 TRP N N 80 123.400 123.400 121.995 1.405 25439 23727 1 32 . 1 1 80 80 TRP HA H 80 4.160 4.160 4.115 0.045 25439 23728 1 32 . 1 1 80 80 TRP CA C 80 62.368 62.368 62.038 0.330 25439 23729 1 32 . 1 1 80 80 TRP CB C 80 29.969 29.969 29.364 0.605 25439 23730 1 32 . 1 1 80 80 TRP H H 80 7.931 7.931 8.472 -0.541 25439 23731 1 32 . 1 1 81 81 LEU N N 81 119.674 119.674 119.069 0.605 25439 23732 1 32 . 1 1 81 81 LEU HA H 81 3.971 3.971 2.637 1.334 25439 23733 1 32 . 1 1 81 81 LEU CA C 81 58.294 58.294 57.781 0.513 25439 23734 1 32 . 1 1 81 81 LEU CB C 81 41.818 41.818 41.563 0.255 25439 23735 1 32 . 1 1 81 81 LEU H H 81 8.814 8.814 8.161 0.653 25439 23736 1 32 . 1 1 82 82 ILE N N 82 118.746 118.746 118.835 -0.089 25439 23737 1 32 . 1 1 82 82 ILE HA H 82 3.861 3.861 3.847 0.014 25439 23738 1 32 . 1 1 82 82 ILE CA C 82 62.734 62.734 65.022 -2.288 25439 23739 1 32 . 1 1 82 82 ILE CB C 82 36.236 36.236 37.775 -1.539 25439 23740 1 32 . 1 1 82 82 ILE H H 82 7.886 7.886 7.599 0.287 25439 23741 1 32 . 1 1 83 83 LYS N N 83 124.819 124.819 118.972 5.847 25439 23742 1 32 . 1 1 83 83 LYS HA H 83 3.911 3.911 4.058 -0.147 25439 23743 1 32 . 1 1 83 83 LYS CA C 83 59.643 59.643 58.156 1.487 25439 23744 1 32 . 1 1 83 83 LYS CB C 83 32.027 32.027 32.632 -0.605 25439 23745 1 32 . 1 1 83 83 LYS H H 83 8.224 8.224 8.064 0.160 25439 23746 1 32 . 1 1 84 84 GLU N N 84 115.404 115.404 118.094 -2.690 25439 23747 1 32 . 1 1 84 84 GLU HA H 84 3.841 3.841 4.301 -0.460 25439 23748 1 32 . 1 1 84 84 GLU CA C 84 55.582 55.582 54.769 0.813 25439 23749 1 32 . 1 1 84 84 GLU CB C 84 29.459 29.459 29.055 0.404 25439 23750 1 32 . 1 1 84 84 GLU H H 84 8.138 8.138 7.251 0.887 25439 23751 1 32 . 1 1 85 85 LYS N N 85 111.563 111.563 118.490 -6.927 25439 23752 1 32 . 1 1 85 85 LYS HA H 85 3.820 3.820 4.019 -0.199 25439 23753 1 32 . 1 1 85 85 LYS CA C 85 57.890 57.890 57.202 0.688 25439 23754 1 32 . 1 1 85 85 LYS CB C 85 28.005 28.005 30.194 -2.189 25439 23755 1 32 . 1 1 85 85 LYS H H 85 7.719 7.719 7.648 0.071 25439 23756 1 32 . 1 1 86 86 TYR N N 86 116.916 116.916 118.600 -1.684 25439 23757 1 32 . 1 1 86 86 TYR HA H 86 4.137 4.137 4.432 -0.295 25439 23758 1 32 . 1 1 86 86 TYR CA C 86 61.228 61.228 59.167 2.061 25439 23759 1 32 . 1 1 86 86 TYR CB C 86 39.535 39.535 40.347 -0.812 25439 23760 1 32 . 1 1 86 86 TYR H H 86 8.521 8.521 7.874 0.647 25439 23761 1 32 . 1 1 87 87 ALA N N 87 113.715 113.715 117.279 -3.564 25439 23762 1 32 . 1 1 87 87 ALA HA H 87 4.738 4.738 4.567 0.171 25439 23763 1 32 . 1 1 87 87 ALA CA C 87 49.121 49.121 50.480 -1.359 25439 23764 1 32 . 1 1 87 87 ALA CB C 87 23.295 23.295 21.907 1.388 25439 23765 1 32 . 1 1 87 87 ALA H H 87 6.959 6.959 7.913 -0.954 25439 23766 1 32 . 1 1 88 88 ASP N N 88 119.344 119.344 120.146 -0.802 25439 23767 1 32 . 1 1 88 88 ASP HA H 88 4.544 4.544 4.890 -0.346 25439 23768 1 32 . 1 1 88 88 ASP CA C 88 52.714 52.714 53.110 -0.396 25439 23769 1 32 . 1 1 88 88 ASP CB C 88 41.845 41.845 42.904 -1.059 25439 23770 1 32 . 1 1 88 88 ASP H H 88 7.870 7.870 8.546 -0.675 25439 23771 1 32 . 1 1 89 89 LYS N N 89 125.312 125.312 126.352 -1.040 25439 23772 1 32 . 1 1 89 89 LYS HA H 89 3.834 3.834 4.039 -0.205 25439 23773 1 32 . 1 1 89 89 LYS CA C 89 59.409 59.409 59.647 -0.238 25439 23774 1 32 . 1 1 89 89 LYS CB C 89 32.848 32.848 32.490 0.358 25439 23775 1 32 . 1 1 89 89 LYS H H 89 8.467 8.467 8.775 -0.308 25439 23776 1 32 . 1 1 90 90 LEU N N 90 119.899 119.899 120.236 -0.337 25439 23777 1 32 . 1 1 90 90 LEU HA H 90 4.023 4.023 4.013 0.010 25439 23778 1 32 . 1 1 90 90 LEU CA C 90 57.049 57.049 58.073 -1.024 25439 23779 1 32 . 1 1 90 90 LEU CB C 90 41.099 41.099 41.732 -0.633 25439 23780 1 32 . 1 1 90 90 LEU H H 90 8.076 8.076 8.145 -0.069 25439 23781 1 32 . 1 1 91 91 LEU N N 91 123.148 123.148 120.342 2.806 25439 23782 1 32 . 1 1 91 91 LEU HA H 91 3.498 3.498 3.750 -0.252 25439 23783 1 32 . 1 1 91 91 LEU CA C 91 56.971 56.971 57.853 -0.882 25439 23784 1 32 . 1 1 91 91 LEU CB C 91 41.823 41.823 41.673 0.150 25439 23785 1 32 . 1 1 91 91 LEU H H 91 7.120 7.120 7.495 -0.375 25439 23786 1 32 . 1 1 92 92 ILE N N 92 116.780 116.780 118.560 -1.780 25439 23787 1 32 . 1 1 92 92 ILE HA H 92 3.265 3.265 3.886 -0.621 25439 23788 1 32 . 1 1 92 92 ILE CA C 92 65.178 65.178 65.345 -0.167 25439 23789 1 32 . 1 1 92 92 ILE CB C 92 38.209 38.209 37.740 0.469 25439 23790 1 32 . 1 1 92 92 ILE H H 92 7.384 7.384 7.774 -0.390 25439 23791 1 32 . 1 1 93 93 ALA N N 93 117.061 117.061 122.448 -5.387 25439 23792 1 32 . 1 1 93 93 ALA HA H 93 3.930 3.930 4.064 -0.134 25439 23793 1 32 . 1 1 93 93 ALA CA C 93 54.839 54.839 55.148 -0.308 25439 23794 1 32 . 1 1 93 93 ALA CB C 93 18.125 18.125 18.153 -0.028 25439 23795 1 32 . 1 1 93 93 ALA H H 93 7.437 7.437 8.478 -1.041 25439 23796 1 32 . 1 1 94 94 LYS N N 94 116.036 116.036 119.428 -3.392 25439 23797 1 32 . 1 1 94 94 LYS HA H 94 3.803 3.803 3.382 0.421 25439 23798 1 32 . 1 1 94 94 LYS CA C 94 56.945 56.945 59.044 -2.099 25439 23799 1 32 . 1 1 94 94 LYS CB C 94 31.047 31.047 31.679 -0.632 25439 23800 1 32 . 1 1 94 94 LYS H H 94 7.012 7.012 7.855 -0.843 25439 23801 1 32 . 1 1 95 95 TRP N N 95 118.700 118.700 116.825 1.875 25439 23802 1 32 . 1 1 95 95 TRP HA H 95 4.814 4.814 4.531 0.283 25439 23803 1 32 . 1 1 95 95 TRP CA C 95 57.136 57.136 59.954 -2.818 25439 23804 1 32 . 1 1 95 95 TRP CB C 95 28.171 28.171 29.065 -0.894 25439 23805 1 32 . 1 1 95 95 TRP H H 95 7.611 7.611 7.698 -0.087 25439 23806 1 32 . 1 1 96 96 ARG N N 96 113.031 113.031 116.318 -3.287 25439 23807 1 32 . 1 1 96 96 ARG HA H 96 4.233 4.233 4.503 -0.270 25439 23808 1 32 . 1 1 96 96 ARG CA C 96 56.234 56.234 55.973 0.261 25439 23809 1 32 . 1 1 96 96 ARG CB C 96 30.245 30.245 30.238 0.007 25439 23810 1 32 . 1 1 96 96 ARG H H 96 7.066 7.066 7.544 -0.478 25439 23811 1 32 . 1 1 97 97 LYS N N 97 123.252 123.252 119.501 3.751 25439 23812 1 32 . 1 1 97 97 LYS HA H 97 4.634 4.634 4.631 0.003 25439 23813 1 32 . 1 1 97 97 LYS CA C 97 54.937 54.937 54.410 0.527 25439 23814 1 32 . 1 1 97 97 LYS CB C 97 34.166 34.166 33.797 0.369 25439 23815 1 32 . 1 1 97 97 LYS H H 97 8.467 8.467 7.662 0.805 25439 23816 1 32 . 1 1 98 98 THR N N 98 119.993 119.993 116.441 3.552 25439 23817 1 32 . 1 1 98 98 THR HA H 98 4.224 4.224 4.512 -0.288 25439 23818 1 32 . 1 1 98 98 THR CA C 98 64.670 64.670 62.628 2.042 25439 23819 1 32 . 1 1 98 98 THR CB C 98 69.200 69.200 68.816 0.384 25439 23820 1 32 . 1 1 98 98 THR H H 98 8.329 8.329 8.400 -0.071 25439 23821 1 32 . 1 1 99 99 GLY N N 99 116.645 116.645 113.633 3.012 25439 23822 1 32 . 1 1 99 99 GLY CA C 99 45.047 45.047 44.950 0.097 25439 23823 1 32 . 1 1 99 99 GLY H H 99 9.273 9.273 8.790 0.483 25439 23824 1 32 . 1 1 100 100 TYR N N 100 120.784 120.784 119.479 1.305 25439 23825 1 32 . 1 1 100 100 TYR HA H 100 4.704 4.704 4.677 0.027 25439 23826 1 32 . 1 1 100 100 TYR CA C 100 57.697 57.697 56.089 1.608 25439 23827 1 32 . 1 1 100 100 TYR CB C 100 39.413 39.413 37.847 1.566 25439 23828 1 32 . 1 1 100 100 TYR H H 100 8.457 8.457 8.244 0.213 25439 23829 1 32 . 1 1 101 101 GLU N N 101 119.482 119.482 121.055 -1.573 25439 23830 1 32 . 1 1 101 101 GLU HA H 101 4.601 4.601 4.155 0.446 25439 23831 1 32 . 1 1 101 101 GLU CA C 101 61.207 61.207 58.551 2.656 25439 23832 1 32 . 1 1 101 101 GLU CB C 101 29.648 29.648 30.018 -0.370 25439 23833 1 32 . 1 1 101 101 GLU H H 101 9.836 9.836 8.559 1.277 25439 23834 1 32 . 1 1 102 102 LYS N N 102 115.179 115.179 119.516 -4.337 25439 23835 1 32 . 1 1 102 102 LYS HA H 102 4.295 4.295 4.576 -0.281 25439 23836 1 32 . 1 1 102 102 LYS CA C 102 54.207 54.207 55.450 -1.244 25439 23837 1 32 . 1 1 102 102 LYS CB C 102 32.489 32.489 33.717 -1.228 25439 23838 1 32 . 1 1 102 102 LYS H H 102 8.291 8.291 8.117 0.174 25439 23839 1 32 . 1 1 103 103 LEU N N 103 119.637 119.637 124.621 -4.984 25439 23840 1 32 . 1 1 103 103 LEU HA H 103 4.385 4.385 4.831 -0.446 25439 23841 1 32 . 1 1 103 103 LEU CA C 103 56.549 56.549 55.003 1.546 25439 23842 1 32 . 1 1 103 103 LEU CB C 103 43.864 43.864 44.084 -0.220 25439 23843 1 32 . 1 1 103 103 LEU H H 103 7.642 7.642 8.500 -0.858 25439 23844 1 32 . 1 1 104 104 CYS N N 104 129.651 129.651 121.785 7.866 25439 23845 1 32 . 1 1 104 104 CYS HA H 104 4.498 4.498 5.198 -0.700 25439 23846 1 32 . 1 1 104 104 CYS CA C 104 58.076 58.076 58.379 -0.303 25439 23847 1 32 . 1 1 104 104 CYS CB C 104 32.301 32.301 28.409 3.892 25439 23848 1 32 . 1 1 104 104 CYS H H 104 8.638 8.638 9.026 -0.388 25439 23849 1 32 . 1 1 105 105 CYS N N 105 120.206 120.206 118.417 1.789 25439 23850 1 32 . 1 1 105 105 CYS HA H 105 4.806 4.806 4.861 -0.055 25439 23851 1 32 . 1 1 105 105 CYS CA C 105 58.271 58.271 56.972 1.299 25439 23852 1 32 . 1 1 105 105 CYS CB C 105 32.062 32.062 30.006 2.055 25439 23853 1 32 . 1 1 105 105 CYS H H 105 8.158 8.158 8.090 0.068 25439 23854 1 32 . 1 1 106 106 LEU N N 106 115.513 115.513 120.818 -5.305 25439 23855 1 32 . 1 1 106 106 LEU HA H 106 4.054 4.054 4.260 -0.206 25439 23856 1 32 . 1 1 106 106 LEU CA C 106 56.110 56.110 56.522 -0.412 25439 23857 1 32 . 1 1 106 106 LEU CB C 106 41.227 41.227 42.371 -1.144 25439 23858 1 32 . 1 1 106 106 LEU H H 106 8.466 8.466 8.172 0.294 25439 23859 1 32 . 1 1 107 107 ARG N N 107 122.711 122.711 119.256 3.455 25439 23860 1 32 . 1 1 107 107 ARG HA H 107 3.993 3.993 4.352 -0.359 25439 23861 1 32 . 1 1 107 107 ARG CA C 107 58.311 58.311 56.440 1.871 25439 23862 1 32 . 1 1 107 107 ARG CB C 107 28.965 28.965 29.592 -0.627 25439 23863 1 32 . 1 1 107 107 ARG H H 107 8.131 8.131 8.193 -0.062 25439 23864 1 32 . 1 1 108 108 CYS N N 108 119.055 119.055 117.828 1.227 25439 23865 1 32 . 1 1 108 108 CYS HA H 108 4.101 4.101 4.728 -0.627 25439 23866 1 32 . 1 1 108 108 CYS CA C 108 63.936 63.936 57.603 6.333 25439 23867 1 32 . 1 1 108 108 CYS CB C 108 30.934 30.934 27.481 3.453 25439 23868 1 32 . 1 1 108 108 CYS H H 108 8.010 8.010 7.934 0.076 25439 23869 1 32 . 1 1 109 109 ILE N N 109 107.315 107.315 113.022 -5.707 25439 23870 1 32 . 1 1 109 109 ILE HA H 109 4.684 4.684 4.481 0.203 25439 23871 1 32 . 1 1 109 109 ILE CA C 109 60.483 60.483 61.087 -0.604 25439 23872 1 32 . 1 1 109 109 ILE CB C 109 38.320 38.320 38.987 -0.667 25439 23873 1 32 . 1 1 109 109 ILE H H 109 7.105 7.105 7.512 -0.407 25439 23874 1 32 . 1 1 110 110 GLN N N 110 122.468 122.468 121.390 1.078 25439 23875 1 32 . 1 1 110 110 GLN HA H 110 4.268 4.268 4.570 -0.302 25439 23876 1 32 . 1 1 110 110 GLN CA C 110 55.981 55.981 54.967 1.014 25439 23877 1 32 . 1 1 110 110 GLN CB C 110 29.656 29.656 29.794 -0.138 25439 23878 1 32 . 1 1 110 110 GLN H H 110 7.156 7.156 8.267 -1.111 25439 23879 1 32 . 1 1 111 111 LYS N N 111 124.650 124.650 125.355 -0.705 25439 23880 1 32 . 1 1 111 111 LYS HA H 111 4.246 4.246 4.368 -0.122 25439 23881 1 32 . 1 1 111 111 LYS CA C 111 56.546 56.546 56.403 0.143 25439 23882 1 32 . 1 1 111 111 LYS CB C 111 32.846 32.846 33.423 -0.577 25439 23883 1 32 . 1 1 111 111 LYS H H 111 8.522 8.522 8.587 -0.065 25439 23884 1 32 . 1 1 112 112 ASN N N 112 120.972 120.972 116.060 4.912 25439 23885 1 32 . 1 1 112 112 ASN HA H 112 4.778 4.778 4.380 0.398 25439 23886 1 32 . 1 1 112 112 ASN CA C 112 52.902 52.902 54.193 -1.291 25439 23887 1 32 . 1 1 112 112 ASN CB C 112 39.328 39.328 38.728 0.600 25439 23888 1 32 . 1 1 112 112 ASN H H 112 8.360 8.360 8.367 -0.007 25439 23889 1 32 . 1 1 113 113 GLU N N 113 121.710 121.710 121.019 0.691 25439 23890 1 32 . 1 1 113 113 GLU HA H 113 4.248 4.248 4.599 -0.351 25439 23891 1 32 . 1 1 113 113 GLU CA C 113 58.611 58.611 56.005 2.606 25439 23892 1 32 . 1 1 113 113 GLU CB C 113 29.590 29.590 30.449 -0.859 25439 23893 1 32 . 1 1 113 113 GLU H H 113 9.023 9.023 8.579 0.444 25439 23894 1 32 . 1 1 114 114 THR N N 114 112.186 112.186 114.002 -1.816 25439 23895 1 32 . 1 1 114 114 THR HA H 114 4.321 4.321 4.638 -0.317 25439 23896 1 32 . 1 1 114 114 THR CA C 114 63.161 63.161 61.142 2.019 25439 23897 1 32 . 1 1 114 114 THR CB C 114 69.481 69.481 70.014 -0.533 25439 23898 1 32 . 1 1 114 114 THR H H 114 8.112 8.112 7.949 0.163 25439 23899 1 32 . 1 1 115 115 ASN N N 115 119.112 119.112 117.382 1.730 25439 23900 1 32 . 1 1 115 115 ASN HA H 115 4.829 4.829 4.804 0.025 25439 23901 1 32 . 1 1 115 115 ASN CA C 115 53.110 53.110 53.608 -0.498 25439 23902 1 32 . 1 1 115 115 ASN CB C 115 38.659 38.659 38.838 -0.179 25439 23903 1 32 . 1 1 115 115 ASN H H 115 8.047 8.047 8.641 -0.594 25439 23904 1 32 . 1 1 116 116 ASN N N 116 117.175 117.175 118.478 -1.303 25439 23905 1 32 . 1 1 116 116 ASN HA H 116 4.615 4.615 4.878 -0.263 25439 23906 1 32 . 1 1 116 116 ASN CA C 116 53.965 53.965 52.760 1.205 25439 23907 1 32 . 1 1 116 116 ASN CB C 116 38.173 38.173 38.923 -0.750 25439 23908 1 32 . 1 1 116 116 ASN H H 116 8.364 8.364 8.323 0.041 25439 23909 1 32 . 1 1 117 117 GLY N N 117 107.294 107.294 108.374 -1.080 25439 23910 1 32 . 1 1 117 117 GLY CA C 117 45.882 45.882 45.031 0.851 25439 23911 1 32 . 1 1 117 117 GLY H H 117 8.264 8.264 8.197 0.067 25439 23912 1 32 . 1 1 118 118 SER N N 118 115.475 115.475 116.567 -1.092 25439 23913 1 32 . 1 1 118 118 SER HA H 118 4.586 4.586 4.695 -0.109 25439 23914 1 32 . 1 1 118 118 SER CA C 118 57.974 57.974 57.876 0.098 25439 23915 1 32 . 1 1 118 118 SER CB C 118 64.479 64.479 63.986 0.493 25439 23916 1 32 . 1 1 118 118 SER H H 118 7.905 7.905 8.509 -0.604 25439 23917 1 32 . 1 1 119 119 THR N N 119 111.360 111.360 117.662 -6.302 25439 23918 1 32 . 1 1 119 119 THR HA H 119 4.450 4.450 4.645 -0.195 25439 23919 1 32 . 1 1 119 119 THR CA C 119 61.215 61.215 61.053 0.162 25439 23920 1 32 . 1 1 119 119 THR CB C 119 70.569 70.569 71.197 -0.628 25439 23921 1 32 . 1 1 119 119 THR H H 119 8.044 8.044 7.989 0.055 25439 23922 1 32 . 1 1 120 120 CYS N N 120 122.708 122.708 120.691 2.017 25439 23923 1 32 . 1 1 120 120 CYS HA H 120 4.255 4.255 4.763 -0.508 25439 23924 1 32 . 1 1 120 120 CYS CA C 120 61.469 61.469 57.725 3.744 25439 23925 1 32 . 1 1 120 120 CYS CB C 120 30.892 30.892 29.444 1.448 25439 23926 1 32 . 1 1 120 120 CYS H H 120 8.045 8.045 8.540 -0.495 25439 23927 1 32 . 1 1 121 121 ILE N N 121 132.463 132.463 123.805 8.658 25439 23928 1 32 . 1 1 121 121 ILE HA H 121 4.025 4.025 3.815 0.210 25439 23929 1 32 . 1 1 121 121 ILE CA C 121 63.353 63.353 63.092 0.261 25439 23930 1 32 . 1 1 121 121 ILE CB C 121 38.222 38.222 37.581 0.641 25439 23931 1 32 . 1 1 121 121 ILE H H 121 8.237 8.237 8.413 -0.176 25439 23932 1 32 . 1 1 122 122 CYS N N 122 123.931 123.931 117.548 6.383 25439 23933 1 32 . 1 1 122 122 CYS HA H 122 4.233 4.233 4.207 0.026 25439 23934 1 32 . 1 1 122 122 CYS CA C 122 60.230 60.230 60.358 -0.128 25439 23935 1 32 . 1 1 122 122 CYS CB C 122 30.602 30.602 26.001 4.601 25439 23936 1 32 . 1 1 122 122 CYS H H 122 9.355 9.355 7.537 1.818 25439 23937 1 32 . 1 1 123 123 ARG N N 123 119.561 119.561 121.084 -1.523 25439 23938 1 32 . 1 1 123 123 ARG HA H 123 4.150 4.150 4.322 -0.172 25439 23939 1 32 . 1 1 123 123 ARG CA C 123 53.177 53.177 58.428 -5.252 25439 23940 1 32 . 1 1 123 123 ARG CB C 123 27.961 27.961 30.608 -2.647 25439 23941 1 32 . 1 1 123 123 ARG H H 123 7.677 7.677 7.469 0.208 25439 23942 1 32 . 1 1 124 124 VAL N N 124 122.794 122.794 120.773 2.021 25439 23943 1 32 . 1 1 124 124 VAL HA H 124 4.081 4.081 4.091 -0.010 25439 23944 1 32 . 1 1 124 124 VAL CA C 124 60.647 60.647 60.003 0.644 25439 23945 1 32 . 1 1 124 124 VAL CB C 124 32.857 32.857 31.199 1.658 25439 23946 1 32 . 1 1 124 124 VAL H H 124 7.578 7.578 7.437 0.141 25439 23947 1 32 . 1 1 125 125 PRO HA H 125 4.263 4.263 4.543 -0.280 25439 23948 1 32 . 1 1 125 125 PRO CA C 125 63.268 63.268 62.288 0.980 25439 23949 1 32 . 1 1 125 125 PRO CB C 125 32.379 32.379 32.817 -0.438 25439 23950 1 32 . 1 1 126 126 ARG N N 126 128.350 128.350 120.239 8.111 25439 23951 1 32 . 1 1 126 126 ARG HA H 126 3.912 3.912 3.980 -0.068 25439 23952 1 32 . 1 1 126 126 ARG CA C 126 59.653 59.653 59.396 0.257 25439 23953 1 32 . 1 1 126 126 ARG CB C 126 29.339 29.339 29.525 -0.186 25439 23954 1 32 . 1 1 126 126 ARG H H 126 9.534 9.534 8.692 0.842 25439 23955 1 32 . 1 1 127 127 ALA N N 127 119.169 119.169 120.023 -0.854 25439 23956 1 32 . 1 1 127 127 ALA HA H 127 4.192 4.192 4.413 -0.221 25439 23957 1 32 . 1 1 127 127 ALA CA C 127 55.227 55.227 55.073 0.154 25439 23958 1 32 . 1 1 127 127 ALA CB C 127 18.363 18.363 18.137 0.226 25439 23959 1 32 . 1 1 127 127 ALA H H 127 9.263 9.263 8.289 0.974 25439 23960 1 32 . 1 1 128 128 GLN N N 128 117.345 117.345 118.658 -1.313 25439 23961 1 32 . 1 1 128 128 GLN HA H 128 4.209 4.209 4.091 0.118 25439 23962 1 32 . 1 1 128 128 GLN CA C 128 58.506 58.506 58.489 0.017 25439 23963 1 32 . 1 1 128 128 GLN CB C 128 28.220 28.220 28.236 -0.016 25439 23964 1 32 . 1 1 128 128 GLN H H 128 7.448 7.448 8.350 -0.902 25439 23965 1 32 . 1 1 129 129 LEU N N 129 120.561 120.561 120.362 0.199 25439 23966 1 32 . 1 1 129 129 LEU HA H 129 4.088 4.088 3.954 0.134 25439 23967 1 32 . 1 1 129 129 LEU CA C 129 57.952 57.952 57.974 -0.022 25439 23968 1 32 . 1 1 129 129 LEU CB C 129 41.817 41.817 41.868 -0.051 25439 23969 1 32 . 1 1 129 129 LEU H H 129 7.622 7.622 7.581 0.041 25439 23970 1 32 . 1 1 130 130 GLU N N 130 119.122 119.122 118.856 0.266 25439 23971 1 32 . 1 1 130 130 GLU HA H 130 3.956 3.956 3.875 0.081 25439 23972 1 32 . 1 1 130 130 GLU CA C 130 59.353 59.353 59.785 -0.432 25439 23973 1 32 . 1 1 130 130 GLU CB C 130 29.337 29.337 29.302 0.035 25439 23974 1 32 . 1 1 130 130 GLU H H 130 8.656 8.656 8.587 0.069 25439 23975 1 32 . 1 1 131 131 GLU N N 131 121.469 121.469 119.799 1.670 25439 23976 1 32 . 1 1 131 131 GLU HA H 131 4.163 4.163 3.981 0.182 25439 23977 1 32 . 1 1 131 131 GLU CA C 131 59.288 59.288 59.512 -0.224 25439 23978 1 32 . 1 1 131 131 GLU CB C 131 29.422 29.422 29.596 -0.174 25439 23979 1 32 . 1 1 131 131 GLU H H 131 7.922 7.922 7.760 0.162 25439 23980 1 32 . 1 1 132 132 GLU N N 132 119.241 119.241 119.317 -0.076 25439 23981 1 32 . 1 1 132 132 GLU HA H 132 3.998 3.998 4.006 -0.008 25439 23982 1 32 . 1 1 132 132 GLU CA C 132 59.327 59.327 59.195 0.132 25439 23983 1 32 . 1 1 132 132 GLU CB C 132 29.421 29.421 29.356 0.065 25439 23984 1 32 . 1 1 132 132 GLU H H 132 8.099 8.099 7.632 0.467 25439 23985 1 32 . 1 1 133 133 ALA N N 133 121.302 121.302 121.499 -0.197 25439 23986 1 32 . 1 1 133 133 ALA HA H 133 4.053 4.053 4.061 -0.008 25439 23987 1 32 . 1 1 133 133 ALA CA C 133 54.973 54.973 55.074 -0.101 25439 23988 1 32 . 1 1 133 133 ALA CB C 133 18.154 18.154 18.291 -0.137 25439 23989 1 32 . 1 1 133 133 ALA H H 133 7.795 7.795 7.566 0.229 25439 23990 1 32 . 1 1 134 134 ARG N N 134 118.757 118.757 119.444 -0.687 25439 23991 1 32 . 1 1 134 134 ARG HA H 134 4.143 4.143 4.002 0.141 25439 23992 1 32 . 1 1 134 134 ARG CA C 134 59.438 59.438 59.315 0.123 25439 23993 1 32 . 1 1 134 134 ARG CB C 134 30.148 30.148 30.066 0.082 25439 23994 1 32 . 1 1 134 134 ARG H H 134 8.145 8.145 7.826 0.319 25439 23995 1 32 . 1 1 135 135 LYS N N 135 119.496 119.496 119.495 0.001 25439 23996 1 32 . 1 1 135 135 LYS HA H 135 4.073 4.073 4.121 -0.048 25439 23997 1 32 . 1 1 135 135 LYS CA C 135 59.327 59.327 58.805 0.522 25439 23998 1 32 . 1 1 135 135 LYS CB C 135 32.539 32.539 32.487 0.052 25439 23999 1 32 . 1 1 135 135 LYS H H 135 8.036 8.036 7.744 0.292 25439 24000 1 32 . 1 1 136 136 LYS N N 136 116.645 116.645 117.238 -0.593 25439 24001 1 32 . 1 1 136 136 LYS HA H 136 4.362 4.362 4.391 -0.029 25439 24002 1 32 . 1 1 136 136 LYS CA C 136 56.575 56.575 55.575 1.000 25439 24003 1 32 . 1 1 136 136 LYS CB C 136 33.629 33.629 32.616 1.013 25439 24004 1 32 . 1 1 136 136 LYS H H 136 7.682 7.682 7.458 0.224 25439 24005 1 32 . 1 1 137 137 GLY N N 137 109.349 109.349 109.735 -0.386 25439 24006 1 32 . 1 1 137 137 GLY CA C 137 46.358 46.358 46.117 0.241 25439 24007 1 32 . 1 1 137 137 GLY H H 137 8.064 8.064 7.772 0.292 25439 24008 1 32 . 1 1 138 138 THR N N 138 112.870 112.870 112.878 -0.008 25439 24009 1 32 . 1 1 138 138 THR HA H 138 4.735 4.735 4.580 0.155 25439 24010 1 32 . 1 1 138 138 THR CA C 138 59.308 59.308 60.283 -0.975 25439 24011 1 32 . 1 1 138 138 THR CB C 138 70.755 70.755 70.251 0.504 25439 24012 1 32 . 1 1 138 138 THR H H 138 8.111 8.111 8.160 -0.049 25439 24013 1 32 . 1 1 139 139 GLN N N 139 118.177 118.177 119.740 -1.563 25439 24014 1 32 . 1 1 139 139 GLN HA H 139 4.609 4.609 4.613 -0.004 25439 24015 1 32 . 1 1 139 139 GLN CA C 139 54.435 54.435 54.857 -0.422 25439 24016 1 32 . 1 1 139 139 GLN CB C 139 30.777 30.777 31.071 -0.294 25439 24017 1 32 . 1 1 139 139 GLN H H 139 8.227 8.227 8.452 -0.225 25439 24018 1 32 . 1 1 140 140 VAL N N 140 123.601 123.601 120.937 2.664 25439 24019 1 32 . 1 1 140 140 VAL HA H 140 3.790 3.790 4.424 -0.634 25439 24020 1 32 . 1 1 140 140 VAL CA C 140 63.934 63.934 61.285 2.649 25439 24021 1 32 . 1 1 140 140 VAL CB C 140 32.154 32.154 33.746 -1.592 25439 24022 1 32 . 1 1 140 140 VAL H H 140 8.839 8.839 8.222 0.617 25439 24023 1 32 . 1 1 141 141 SER HA H 141 4.524 4.524 4.618 -0.094 25439 24024 1 32 . 1 1 141 141 SER CA C 141 57.841 57.841 58.335 -0.494 25439 24025 1 32 . 1 1 141 141 SER CB C 141 64.174 64.174 63.608 0.566 25439 24026 1 32 . 1 1 142 142 PHE N N 142 123.726 123.726 125.699 -1.973 25439 24027 1 32 . 1 1 142 142 PHE HA H 142 4.458 4.458 4.706 -0.248 25439 24028 1 32 . 1 1 142 142 PHE CA C 142 58.673 58.673 57.526 1.147 25439 24029 1 32 . 1 1 142 142 PHE CB C 142 40.055 40.055 41.472 -1.417 25439 24030 1 32 . 1 1 142 142 PHE H H 142 7.534 7.534 8.061 -0.527 25439 24031 1 32 . 1 1 143 143 HIS N N 143 126.548 126.548 117.695 8.853 25439 24032 1 32 . 1 1 143 143 HIS HA H 143 4.336 4.336 4.371 -0.035 25439 24033 1 32 . 1 1 143 143 HIS CA C 143 56.837 56.837 56.294 0.543 25439 24034 1 32 . 1 1 143 143 HIS CB C 143 31.949 31.949 32.706 -0.757 25439 24035 1 32 . 1 1 143 143 HIS H H 143 8.308 8.308 7.216 1.092 25439 24036 1 32 . 1 1 144 144 GLN N N 144 115.094 115.094 115.789 -0.695 25439 24037 1 32 . 1 1 144 144 GLN HA H 144 4.433 4.433 4.655 -0.222 25439 24038 1 32 . 1 1 144 144 GLN CA C 144 54.210 54.210 53.297 0.913 25439 24039 1 32 . 1 1 144 144 GLN CB C 144 32.925 32.925 31.849 1.076 25439 24040 1 32 . 1 1 144 144 GLN H H 144 7.203 7.203 7.070 0.133 25439 24041 1 32 . 1 1 145 145 CYS N N 145 123.088 123.088 118.907 4.181 25439 24042 1 32 . 1 1 145 145 CYS HA H 145 4.961 4.961 5.128 -0.167 25439 24043 1 32 . 1 1 145 145 CYS CA C 145 57.978 57.978 56.972 1.006 25439 24044 1 32 . 1 1 145 145 CYS CB C 145 33.555 33.555 30.234 3.321 25439 24045 1 32 . 1 1 145 145 CYS H H 145 8.668 8.668 8.327 0.341 25439 24046 1 32 . 1 1 146 146 VAL N N 146 113.265 113.265 118.638 -5.373 25439 24047 1 32 . 1 1 146 146 VAL HA H 146 4.238 4.238 4.269 -0.031 25439 24048 1 32 . 1 1 146 146 VAL CA C 146 64.001 64.001 65.032 -1.031 25439 24049 1 32 . 1 1 146 146 VAL CB C 146 32.157 32.157 31.642 0.515 25439 24050 1 32 . 1 1 146 146 VAL H H 146 8.198 8.198 8.437 -0.239 25439 24051 1 32 . 1 1 147 147 HIS N N 147 120.556 120.556 119.360 1.196 25439 24052 1 32 . 1 1 147 147 HIS HA H 147 4.604 4.604 4.330 0.274 25439 24053 1 32 . 1 1 147 147 HIS CA C 147 58.708 58.708 58.564 0.144 25439 24054 1 32 . 1 1 147 147 HIS CB C 147 32.204 32.204 29.306 2.898 25439 24055 1 32 . 1 1 147 147 HIS H H 147 7.151 7.151 8.399 -1.248 25439 24056 1 32 . 1 1 148 148 CYS N N 148 112.110 112.110 112.086 0.024 25439 24057 1 32 . 1 1 148 148 CYS HA H 148 4.889 4.889 4.720 0.169 25439 24058 1 32 . 1 1 148 148 CYS CA C 148 57.952 57.952 55.694 2.258 25439 24059 1 32 . 1 1 148 148 CYS CB C 148 32.956 32.956 30.149 2.807 25439 24060 1 32 . 1 1 148 148 CYS H H 148 7.413 7.413 7.217 0.196 25439 24061 1 32 . 1 1 149 149 GLY N N 149 112.797 112.797 108.633 4.164 25439 24062 1 32 . 1 1 149 149 GLY CA C 149 45.327 45.327 44.301 1.026 25439 24063 1 32 . 1 1 149 149 GLY H H 149 6.949 6.949 8.286 -1.337 25439 24064 1 32 . 1 1 150 150 CYS N N 150 127.277 127.277 118.816 8.461 25439 24065 1 32 . 1 1 150 150 CYS HA H 150 3.932 3.932 4.709 -0.777 25439 24066 1 32 . 1 1 150 150 CYS CA C 150 61.362 61.362 56.904 4.458 25439 24067 1 32 . 1 1 150 150 CYS CB C 150 30.632 30.632 29.747 0.885 25439 24068 1 32 . 1 1 150 150 CYS H H 150 8.240 8.240 7.132 1.108 25439 24069 1 32 . 1 1 151 151 ARG N N 151 125.476 125.476 126.753 -1.277 25439 24070 1 32 . 1 1 151 151 ARG HA H 151 4.775 4.775 4.348 0.427 25439 24071 1 32 . 1 1 151 151 ARG CA C 151 56.164 56.164 55.119 1.045 25439 24072 1 32 . 1 1 151 151 ARG CB C 151 30.354 30.354 29.387 0.967 25439 24073 1 32 . 1 1 151 151 ARG H H 151 8.492 8.492 8.657 -0.165 25439 24074 1 32 . 1 1 152 152 GLY N N 152 117.275 117.275 108.239 9.036 25439 24075 1 32 . 1 1 152 152 GLY CA C 152 45.523 45.523 45.316 0.207 25439 24076 1 32 . 1 1 152 152 GLY H H 152 9.812 9.812 7.649 2.163 25439 24077 1 32 . 1 1 153 153 CYS N N 153 126.187 126.187 118.614 7.573 25439 24078 1 32 . 1 1 153 153 CYS HA H 153 4.842 4.842 4.832 0.010 25439 24079 1 32 . 1 1 153 153 CYS CA C 153 57.130 57.130 55.726 1.404 25439 24080 1 32 . 1 1 153 153 CYS CB C 153 31.368 31.368 28.329 3.039 25439 24081 1 32 . 1 1 153 153 CYS H H 153 8.930 8.930 8.114 0.816 25439 24082 1 32 . 1 1 154 154 ALA N N 154 125.869 125.869 126.121 -0.252 25439 24083 1 32 . 1 1 154 154 ALA HA H 154 4.159 4.159 5.068 -0.909 25439 24084 1 32 . 1 1 154 154 ALA CA C 154 53.187 53.187 51.296 1.891 25439 24085 1 32 . 1 1 154 154 ALA CB C 154 18.937 18.937 21.567 -2.630 25439 24086 1 32 . 1 1 154 154 ALA H H 154 8.616 8.616 8.381 0.235 25439 24087 1 32 . 1 1 155 155 SER N N 155 116.724 116.724 116.876 -0.152 25439 24088 1 32 . 1 1 155 155 SER HA H 155 4.283 4.283 4.504 -0.221 25439 24089 1 32 . 1 1 155 155 SER CA C 155 60.136 60.136 59.890 0.246 25439 24090 1 32 . 1 1 155 155 SER CB C 155 63.575 63.575 63.845 -0.270 25439 24091 1 32 . 1 1 155 155 SER H H 155 9.358 9.358 8.876 0.482 25439 24092 1 32 . 1 1 156 156 THR N N 156 111.893 111.893 115.188 -3.295 25439 24093 1 32 . 1 1 156 156 THR HA H 156 4.358 4.358 4.521 -0.163 25439 24094 1 32 . 1 1 156 156 THR CA C 156 61.264 61.264 62.332 -1.068 25439 24095 1 32 . 1 1 156 156 THR CB C 156 69.999 69.999 68.705 1.294 25439 24096 1 32 . 1 1 156 156 THR H H 156 7.638 7.638 7.816 -0.178 25439 24097 1 33 . 1 1 0 0 GLY CA C 0 43.750 43.750 45.875 -2.125 25439 24098 1 33 . 1 1 1 1 SER N N 1 117.201 117.201 117.343 -0.142 25439 24099 1 33 . 1 1 1 1 SER HA H 1 4.809 4.809 4.563 0.246 25439 24100 1 33 . 1 1 1 1 SER CA C 1 56.525 56.525 56.827 -0.301 25439 24101 1 33 . 1 1 1 1 SER CB C 1 63.385 63.385 64.321 -0.936 25439 24102 1 33 . 1 1 1 1 SER H H 1 8.381 8.381 8.014 0.367 25439 24103 1 33 . 1 1 2 2 PRO HA H 2 4.468 4.468 4.498 -0.030 25439 24104 1 33 . 1 1 2 2 PRO CA C 2 63.292 63.292 62.859 0.433 25439 24105 1 33 . 1 1 2 2 PRO CB C 2 32.174 32.174 32.367 -0.194 25439 24106 1 33 . 1 1 3 3 ARG N N 3 121.649 121.649 121.255 0.394 25439 24107 1 33 . 1 1 3 3 ARG HA H 3 4.324 4.324 4.630 -0.306 25439 24108 1 33 . 1 1 3 3 ARG CA C 3 56.226 56.226 55.751 0.475 25439 24109 1 33 . 1 1 3 3 ARG CB C 3 30.732 30.732 29.863 0.869 25439 24110 1 33 . 1 1 3 3 ARG H H 3 8.428 8.428 8.592 -0.164 25439 24111 1 33 . 1 1 4 4 ILE N N 4 122.500 122.500 123.134 -0.634 25439 24112 1 33 . 1 1 4 4 ILE HA H 4 4.181 4.181 4.293 -0.112 25439 24113 1 33 . 1 1 4 4 ILE CA C 4 60.943 60.943 60.980 -0.037 25439 24114 1 33 . 1 1 4 4 ILE CB C 4 38.751 38.751 38.575 0.176 25439 24115 1 33 . 1 1 4 4 ILE H H 4 8.165 8.165 8.468 -0.303 25439 24116 1 33 . 1 1 5 5 LYS N N 5 126.237 126.237 124.418 1.819 25439 24117 1 33 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.011 0.391 25439 24118 1 33 . 1 1 5 5 LYS CA C 5 56.422 56.422 57.171 -0.749 25439 24119 1 33 . 1 1 5 5 LYS CB C 5 33.130 33.130 32.521 0.609 25439 24120 1 33 . 1 1 5 5 LYS H H 5 8.500 8.500 8.660 -0.160 25439 24121 1 33 . 1 1 6 6 THR N N 6 116.495 116.495 112.358 4.137 25439 24122 1 33 . 1 1 6 6 THR HA H 6 4.323 4.323 4.598 -0.275 25439 24123 1 33 . 1 1 6 6 THR CA C 6 61.918 61.918 61.411 0.507 25439 24124 1 33 . 1 1 6 6 THR CB C 6 69.963 69.963 70.045 -0.082 25439 24125 1 33 . 1 1 6 6 THR H H 6 8.194 8.194 8.019 0.175 25439 24126 1 33 . 1 1 7 7 ARG N N 7 124.128 124.128 121.591 2.537 25439 24127 1 33 . 1 1 7 7 ARG HA H 7 4.396 4.396 4.691 -0.295 25439 24128 1 33 . 1 1 7 7 ARG CA C 7 56.128 56.128 55.402 0.726 25439 24129 1 33 . 1 1 7 7 ARG CB C 7 30.953 30.953 32.683 -1.730 25439 24130 1 33 . 1 1 7 7 ARG H H 7 8.458 8.458 8.575 -0.117 25439 24131 1 33 . 1 1 8 8 ARG N N 8 123.384 123.384 120.938 2.446 25439 24132 1 33 . 1 1 8 8 ARG HA H 8 4.424 4.424 4.769 -0.345 25439 24133 1 33 . 1 1 8 8 ARG CA C 8 56.011 56.011 55.701 0.310 25439 24134 1 33 . 1 1 8 8 ARG CB C 8 31.058 31.058 31.939 -0.880 25439 24135 1 33 . 1 1 8 8 ARG H H 8 8.526 8.526 8.600 -0.074 25439 24136 1 33 . 1 1 9 9 SER N N 9 118.446 118.446 115.539 2.907 25439 24137 1 33 . 1 1 9 9 SER HA H 9 4.473 4.473 4.739 -0.266 25439 24138 1 33 . 1 1 9 9 SER CA C 9 58.568 58.568 57.809 0.758 25439 24139 1 33 . 1 1 9 9 SER CB C 9 63.986 63.986 63.913 0.073 25439 24140 1 33 . 1 1 9 9 SER H H 9 8.450 8.450 8.436 0.014 25439 24141 1 33 . 1 1 10 10 LYS N N 10 124.117 124.117 123.371 0.746 25439 24142 1 33 . 1 1 10 10 LYS HA H 10 4.673 4.673 4.942 -0.269 25439 24143 1 33 . 1 1 10 10 LYS CA C 10 54.412 54.412 53.453 0.959 25439 24144 1 33 . 1 1 10 10 LYS CB C 10 32.693 32.693 32.457 0.236 25439 24145 1 33 . 1 1 10 10 LYS H H 10 8.426 8.426 8.714 -0.288 25439 24146 1 33 . 1 1 11 11 PRO HA H 11 4.360 4.360 4.606 -0.246 25439 24147 1 33 . 1 1 11 11 PRO CA C 11 62.861 62.861 62.489 0.372 25439 24148 1 33 . 1 1 11 11 PRO CB C 11 32.106 32.106 32.568 -0.462 25439 24149 1 33 . 1 1 12 12 ALA N N 12 124.420 124.420 122.340 2.080 25439 24150 1 33 . 1 1 12 12 ALA HA H 12 2.889 2.889 2.314 0.575 25439 24151 1 33 . 1 1 12 12 ALA CA C 12 49.735 49.735 48.948 0.787 25439 24152 1 33 . 1 1 12 12 ALA CB C 12 18.066 18.066 17.338 0.728 25439 24153 1 33 . 1 1 12 12 ALA H H 12 7.890 7.890 7.987 -0.097 25439 24154 1 33 . 1 1 13 13 PRO HA H 13 4.207 4.207 4.165 0.042 25439 24155 1 33 . 1 1 13 13 PRO CA C 13 62.111 62.111 62.342 -0.231 25439 24156 1 33 . 1 1 13 13 PRO CB C 13 32.582 32.582 30.289 2.293 25439 24157 1 33 . 1 1 14 14 ASP N N 14 119.535 119.535 122.674 -3.139 25439 24158 1 33 . 1 1 14 14 ASP HA H 14 4.379 4.379 4.220 0.159 25439 24159 1 33 . 1 1 14 14 ASP CA C 14 56.427 56.427 55.326 1.101 25439 24160 1 33 . 1 1 14 14 ASP CB C 14 41.177 41.177 40.527 0.650 25439 24161 1 33 . 1 1 14 14 ASP H H 14 8.206 8.206 8.209 -0.003 25439 24162 1 33 . 1 1 15 15 GLY N N 15 113.273 113.273 108.550 4.723 25439 24163 1 33 . 1 1 15 15 GLY CA C 15 45.146 45.146 45.327 -0.181 25439 24164 1 33 . 1 1 15 15 GLY H H 15 8.723 8.723 8.239 0.484 25439 24165 1 33 . 1 1 16 16 PHE N N 16 123.113 123.113 122.731 0.382 25439 24166 1 33 . 1 1 16 16 PHE HA H 16 4.125 4.125 4.432 -0.307 25439 24167 1 33 . 1 1 16 16 PHE CA C 16 60.715 60.715 59.202 1.513 25439 24168 1 33 . 1 1 16 16 PHE CB C 16 39.639 39.639 39.022 0.617 25439 24169 1 33 . 1 1 16 16 PHE H H 16 8.127 8.127 8.040 0.087 25439 24170 1 33 . 1 1 17 17 GLU N N 17 115.695 115.695 119.053 -3.358 25439 24171 1 33 . 1 1 17 17 GLU HA H 17 3.768 3.768 3.807 -0.039 25439 24172 1 33 . 1 1 17 17 GLU CA C 17 59.234 59.234 59.833 -0.599 25439 24173 1 33 . 1 1 17 17 GLU CB C 17 28.495 28.495 29.108 -0.613 25439 24174 1 33 . 1 1 17 17 GLU H H 17 9.088 9.088 8.737 0.351 25439 24175 1 33 . 1 1 18 18 LYS N N 18 115.887 115.887 117.131 -1.244 25439 24176 1 33 . 1 1 18 18 LYS HA H 18 4.165 4.165 4.085 0.080 25439 24177 1 33 . 1 1 18 18 LYS CA C 18 58.249 58.249 58.563 -0.314 25439 24178 1 33 . 1 1 18 18 LYS CB C 18 32.725 32.725 32.849 -0.124 25439 24179 1 33 . 1 1 18 18 LYS H H 18 7.285 7.285 7.844 -0.559 25439 24180 1 33 . 1 1 19 19 ILE N N 19 110.277 110.277 109.655 0.622 25439 24181 1 33 . 1 1 19 19 ILE HA H 19 4.722 4.722 4.756 -0.034 25439 24182 1 33 . 1 1 19 19 ILE CA C 19 61.093 61.093 59.573 1.520 25439 24183 1 33 . 1 1 19 19 ILE CB C 19 39.139 39.139 38.388 0.751 25439 24184 1 33 . 1 1 19 19 ILE H H 19 7.031 7.031 7.545 -0.514 25439 24185 1 33 . 1 1 20 20 LYS N N 20 124.540 124.540 122.634 1.906 25439 24186 1 33 . 1 1 20 20 LYS HA H 20 3.603 3.603 3.479 0.124 25439 24187 1 33 . 1 1 20 20 LYS CA C 20 60.917 60.917 59.541 1.376 25439 24188 1 33 . 1 1 20 20 LYS CB C 20 30.210 30.210 30.315 -0.105 25439 24189 1 33 . 1 1 20 20 LYS H H 20 7.666 7.666 7.380 0.286 25439 24190 1 33 . 1 1 21 21 PRO HA H 21 4.292 4.292 4.591 -0.299 25439 24191 1 33 . 1 1 21 21 PRO CA C 21 66.990 66.990 65.118 1.871 25439 24192 1 33 . 1 1 21 21 PRO CB C 21 30.779 30.779 31.502 -0.723 25439 24193 1 33 . 1 1 22 22 THR N N 22 114.917 114.917 115.484 -0.567 25439 24194 1 33 . 1 1 22 22 THR HA H 22 3.866 3.866 4.082 -0.216 25439 24195 1 33 . 1 1 22 22 THR CA C 22 66.575 66.575 66.540 0.035 25439 24196 1 33 . 1 1 22 22 THR CB C 22 68.731 68.731 68.137 0.594 25439 24197 1 33 . 1 1 22 22 THR H H 22 7.331 7.331 8.406 -1.075 25439 24198 1 33 . 1 1 23 23 LEU N N 23 120.152 120.152 119.592 0.560 25439 24199 1 33 . 1 1 23 23 LEU HA H 23 4.397 4.397 3.878 0.519 25439 24200 1 33 . 1 1 23 23 LEU CA C 23 58.740 58.740 58.673 0.067 25439 24201 1 33 . 1 1 23 23 LEU CB C 23 40.489 40.489 41.603 -1.114 25439 24202 1 33 . 1 1 23 23 LEU H H 23 7.991 7.991 7.719 0.272 25439 24203 1 33 . 1 1 24 24 THR N N 24 119.365 119.365 112.469 6.896 25439 24204 1 33 . 1 1 24 24 THR HA H 24 4.095 4.095 3.933 0.162 25439 24205 1 33 . 1 1 24 24 THR CA C 24 66.834 66.834 66.644 0.190 25439 24206 1 33 . 1 1 24 24 THR CB C 24 68.614 68.614 67.939 0.675 25439 24207 1 33 . 1 1 24 24 THR H H 24 9.175 9.175 7.511 1.664 25439 24208 1 33 . 1 1 25 25 ASP N N 25 122.865 122.865 120.837 2.028 25439 24209 1 33 . 1 1 25 25 ASP HA H 25 4.483 4.483 4.406 0.077 25439 24210 1 33 . 1 1 25 25 ASP CA C 25 58.158 58.158 56.988 1.170 25439 24211 1 33 . 1 1 25 25 ASP CB C 25 40.329 40.329 40.671 -0.342 25439 24212 1 33 . 1 1 25 25 ASP H H 25 7.714 7.714 7.645 0.069 25439 24213 1 33 . 1 1 26 26 PHE N N 26 116.182 116.182 118.744 -2.562 25439 24214 1 33 . 1 1 26 26 PHE HA H 26 4.457 4.457 4.129 0.328 25439 24215 1 33 . 1 1 26 26 PHE CA C 26 62.531 62.531 61.468 1.063 25439 24216 1 33 . 1 1 26 26 PHE CB C 26 39.468 39.468 38.610 0.858 25439 24217 1 33 . 1 1 26 26 PHE H H 26 7.816 7.816 7.889 -0.073 25439 24218 1 33 . 1 1 27 27 GLU N N 27 120.107 120.107 118.327 1.780 25439 24219 1 33 . 1 1 27 27 GLU HA H 27 4.113 4.113 4.063 0.050 25439 24220 1 33 . 1 1 27 27 GLU CA C 27 59.852 59.852 59.597 0.255 25439 24221 1 33 . 1 1 27 27 GLU CB C 27 29.692 29.692 29.067 0.625 25439 24222 1 33 . 1 1 27 27 GLU H H 27 8.068 8.068 8.043 0.025 25439 24223 1 33 . 1 1 28 28 ILE N N 28 121.494 121.494 119.317 2.177 25439 24224 1 33 . 1 1 28 28 ILE HA H 28 3.718 3.718 3.760 -0.042 25439 24225 1 33 . 1 1 28 28 ILE CA C 28 65.002 65.002 63.600 1.402 25439 24226 1 33 . 1 1 28 28 ILE CB C 28 38.023 38.023 36.815 1.208 25439 24227 1 33 . 1 1 28 28 ILE H H 28 8.531 8.531 7.842 0.689 25439 24228 1 33 . 1 1 29 29 GLN N N 29 118.941 118.941 120.121 -1.180 25439 24229 1 33 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.004 0.176 25439 24230 1 33 . 1 1 29 29 GLN CA C 29 59.507 59.507 59.407 0.100 25439 24231 1 33 . 1 1 29 29 GLN CB C 29 29.783 29.783 28.416 1.367 25439 24232 1 33 . 1 1 29 29 GLN H H 29 8.117 8.117 7.624 0.493 25439 24233 1 33 . 1 1 30 30 LEU N N 30 121.724 121.724 120.268 1.456 25439 24234 1 33 . 1 1 30 30 LEU HA H 30 4.032 4.032 3.963 0.069 25439 24235 1 33 . 1 1 30 30 LEU CA C 30 58.333 58.333 58.379 -0.046 25439 24236 1 33 . 1 1 30 30 LEU CB C 30 42.339 42.339 41.931 0.408 25439 24237 1 33 . 1 1 30 30 LEU H H 30 8.677 8.677 8.298 0.379 25439 24238 1 33 . 1 1 31 31 ARG N N 31 120.629 120.629 119.636 0.993 25439 24239 1 33 . 1 1 31 31 ARG HA H 31 4.105 4.105 3.882 0.223 25439 24240 1 33 . 1 1 31 31 ARG CA C 31 59.340 59.340 60.547 -1.207 25439 24241 1 33 . 1 1 31 31 ARG CB C 31 30.044 30.044 29.906 0.138 25439 24242 1 33 . 1 1 31 31 ARG H H 31 8.227 8.227 8.479 -0.252 25439 24243 1 33 . 1 1 32 32 ASP N N 32 120.233 120.233 119.797 0.436 25439 24244 1 33 . 1 1 32 32 ASP HA H 32 4.484 4.484 4.368 0.116 25439 24245 1 33 . 1 1 32 32 ASP CA C 32 57.199 57.199 57.639 -0.440 25439 24246 1 33 . 1 1 32 32 ASP CB C 32 40.202 40.202 40.194 0.008 25439 24247 1 33 . 1 1 32 32 ASP H H 32 8.407 8.407 7.867 0.540 25439 24248 1 33 . 1 1 33 33 ALA N N 33 121.939 121.939 122.478 -0.539 25439 24249 1 33 . 1 1 33 33 ALA HA H 33 4.321 4.321 3.919 0.402 25439 24250 1 33 . 1 1 33 33 ALA CA C 33 54.207 54.207 55.188 -0.981 25439 24251 1 33 . 1 1 33 33 ALA CB C 33 18.738 18.738 18.439 0.300 25439 24252 1 33 . 1 1 33 33 ALA H H 33 8.057 8.057 7.621 0.436 25439 24253 1 33 . 1 1 34 34 GLN N N 34 114.736 114.736 117.721 -2.985 25439 24254 1 33 . 1 1 34 34 GLN HA H 34 4.248 4.248 4.062 0.186 25439 24255 1 33 . 1 1 34 34 GLN CA C 34 56.567 56.567 58.932 -2.365 25439 24256 1 33 . 1 1 34 34 GLN CB C 34 29.743 29.743 28.628 1.115 25439 24257 1 33 . 1 1 34 34 GLN H H 34 7.746 7.746 8.531 -0.785 25439 24258 1 33 . 1 1 35 35 LYS N N 35 120.534 120.534 118.351 2.183 25439 24259 1 33 . 1 1 35 35 LYS HA H 35 4.232 4.232 4.255 -0.023 25439 24260 1 33 . 1 1 35 35 LYS CA C 35 57.427 57.427 57.668 -0.241 25439 24261 1 33 . 1 1 35 35 LYS CB C 35 32.887 32.887 32.651 0.236 25439 24262 1 33 . 1 1 35 35 LYS H H 35 7.570 7.570 8.081 -0.511 25439 24263 1 33 . 1 1 36 36 ASP N N 36 120.943 120.943 120.136 0.807 25439 24264 1 33 . 1 1 36 36 ASP HA H 36 4.595 4.595 4.409 0.186 25439 24265 1 33 . 1 1 36 36 ASP CA C 36 54.983 54.983 56.525 -1.542 25439 24266 1 33 . 1 1 36 36 ASP CB C 36 41.129 41.129 40.923 0.206 25439 24267 1 33 . 1 1 36 36 ASP H H 36 8.375 8.375 8.309 0.066 25439 24268 1 33 . 1 1 37 37 LYS N N 37 122.598 122.598 117.524 5.074 25439 24269 1 33 . 1 1 37 37 LYS HA H 37 4.365 4.365 4.096 0.269 25439 24270 1 33 . 1 1 37 37 LYS CA C 37 56.725 56.725 57.708 -0.983 25439 24271 1 33 . 1 1 37 37 LYS CB C 37 32.823 32.823 33.063 -0.240 25439 24272 1 33 . 1 1 37 37 LYS H H 37 8.446 8.446 7.919 0.527 25439 24273 1 33 . 1 1 38 38 SER N N 38 115.849 115.849 112.624 3.225 25439 24274 1 33 . 1 1 38 38 SER HA H 38 4.423 4.423 4.175 0.248 25439 24275 1 33 . 1 1 38 38 SER CA C 38 59.193 59.193 59.027 0.166 25439 24276 1 33 . 1 1 38 38 SER CB C 38 63.744 63.744 63.146 0.598 25439 24277 1 33 . 1 1 38 38 SER H H 38 8.392 8.392 8.077 0.315 25439 24278 1 33 . 1 1 39 39 SER N N 39 117.258 117.258 115.339 1.919 25439 24279 1 33 . 1 1 39 39 SER HA H 39 4.445 4.445 4.669 -0.224 25439 24280 1 33 . 1 1 39 39 SER CA C 39 58.933 58.933 57.546 1.387 25439 24281 1 33 . 1 1 39 39 SER CB C 39 63.711 63.711 64.417 -0.706 25439 24282 1 33 . 1 1 39 39 SER H H 39 8.283 8.283 8.143 0.140 25439 24283 1 33 . 1 1 40 40 LYS N N 40 122.427 122.427 121.188 1.239 25439 24284 1 33 . 1 1 40 40 LYS HA H 40 4.321 4.321 4.067 0.254 25439 24285 1 33 . 1 1 40 40 LYS CA C 40 56.847 56.847 57.040 -0.193 25439 24286 1 33 . 1 1 40 40 LYS CB C 40 32.764 32.764 31.922 0.842 25439 24287 1 33 . 1 1 40 40 LYS H H 40 8.263 8.263 8.506 -0.243 25439 24288 1 33 . 1 1 41 41 LEU N N 41 121.281 121.281 121.069 0.212 25439 24289 1 33 . 1 1 41 41 LEU HA H 41 4.308 4.308 4.472 -0.164 25439 24290 1 33 . 1 1 41 41 LEU CA C 41 55.335 55.335 54.228 1.107 25439 24291 1 33 . 1 1 41 41 LEU CB C 41 42.212 42.212 42.712 -0.500 25439 24292 1 33 . 1 1 41 41 LEU H H 41 8.068 8.068 8.063 0.005 25439 24293 1 33 . 1 1 42 42 ALA N N 42 123.964 123.964 125.713 -1.749 25439 24294 1 33 . 1 1 42 42 ALA HA H 42 4.274 4.274 4.142 0.132 25439 24295 1 33 . 1 1 42 42 ALA CA C 42 52.851 52.851 52.813 0.038 25439 24296 1 33 . 1 1 42 42 ALA CB C 42 19.135 19.135 18.478 0.657 25439 24297 1 33 . 1 1 42 42 ALA H H 42 8.111 8.111 8.277 -0.166 25439 24298 1 33 . 1 1 43 43 ALA N N 43 122.146 122.146 126.944 -4.798 25439 24299 1 33 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.418 -0.121 25439 24300 1 33 . 1 1 43 43 ALA CA C 43 52.727 52.727 51.733 0.994 25439 24301 1 33 . 1 1 43 43 ALA CB C 43 19.318 19.318 20.329 -1.012 25439 24302 1 33 . 1 1 43 43 ALA H H 43 8.101 8.101 8.247 -0.146 25439 24303 1 33 . 1 1 44 44 LYS N N 44 119.454 119.454 121.163 -1.709 25439 24304 1 33 . 1 1 44 44 LYS HA H 44 4.349 4.349 4.070 0.279 25439 24305 1 33 . 1 1 44 44 LYS CA C 44 56.267 56.267 57.451 -1.184 25439 24306 1 33 . 1 1 44 44 LYS CB C 44 32.825 32.825 31.378 1.447 25439 24307 1 33 . 1 1 44 44 LYS H H 44 8.198 8.198 8.416 -0.218 25439 24308 1 33 . 1 1 45 45 SER N N 45 116.660 116.660 119.152 -2.492 25439 24309 1 33 . 1 1 45 45 SER HA H 45 4.368 4.368 4.347 0.021 25439 24310 1 33 . 1 1 45 45 SER CA C 45 58.477 58.477 60.184 -1.707 25439 24311 1 33 . 1 1 45 45 SER CB C 45 64.063 64.063 64.069 -0.006 25439 24312 1 33 . 1 1 45 45 SER H H 45 8.251 8.251 8.267 -0.016 25439 24313 1 33 . 1 1 46 46 ASN N N 46 120.516 120.516 119.828 0.688 25439 24314 1 33 . 1 1 46 46 ASN HA H 46 4.361 4.361 3.997 0.364 25439 24315 1 33 . 1 1 46 46 ASN CA C 46 54.657 54.657 56.168 -1.511 25439 24316 1 33 . 1 1 46 46 ASN CB C 46 37.649 37.649 37.825 -0.176 25439 24317 1 33 . 1 1 46 46 ASN H H 46 8.498 8.498 8.655 -0.157 25439 24318 1 33 . 1 1 47 47 GLU N N 47 117.964 117.964 117.757 0.207 25439 24319 1 33 . 1 1 47 47 GLU HA H 47 3.350 3.350 3.382 -0.032 25439 24320 1 33 . 1 1 47 47 GLU CA C 47 59.213 59.213 59.492 -0.279 25439 24321 1 33 . 1 1 47 47 GLU CB C 47 28.998 28.998 28.838 0.160 25439 24322 1 33 . 1 1 47 47 GLU H H 47 8.016 8.016 8.105 -0.089 25439 24323 1 33 . 1 1 48 48 GLN N N 48 119.468 119.468 119.526 -0.058 25439 24324 1 33 . 1 1 48 48 GLN HA H 48 4.250 4.250 4.093 0.157 25439 24325 1 33 . 1 1 48 48 GLN CA C 48 58.529 58.529 58.080 0.449 25439 24326 1 33 . 1 1 48 48 GLN CB C 48 28.902 28.902 28.185 0.717 25439 24327 1 33 . 1 1 48 48 GLN H H 48 7.892 7.892 7.603 0.289 25439 24328 1 33 . 1 1 49 49 LEU N N 49 120.145 120.145 120.317 -0.172 25439 24329 1 33 . 1 1 49 49 LEU HA H 49 4.232 4.232 3.965 0.267 25439 24330 1 33 . 1 1 49 49 LEU CA C 49 57.479 57.479 57.673 -0.194 25439 24331 1 33 . 1 1 49 49 LEU CB C 49 41.391 41.391 41.725 -0.334 25439 24332 1 33 . 1 1 49 49 LEU H H 49 7.699 7.699 8.488 -0.789 25439 24333 1 33 . 1 1 50 50 TRP N N 50 119.596 119.596 117.857 1.739 25439 24334 1 33 . 1 1 50 50 TRP HA H 50 4.520 4.520 4.489 0.031 25439 24335 1 33 . 1 1 50 50 TRP CA C 50 58.353 58.353 57.301 1.052 25439 24336 1 33 . 1 1 50 50 TRP CB C 50 28.880 28.880 28.089 0.791 25439 24337 1 33 . 1 1 50 50 TRP H H 50 8.385 8.385 8.101 0.284 25439 24338 1 33 . 1 1 51 51 GLU N N 51 119.362 119.362 119.318 0.044 25439 24339 1 33 . 1 1 51 51 GLU HA H 51 4.145 4.145 4.118 0.027 25439 24340 1 33 . 1 1 51 51 GLU CA C 51 60.035 60.035 59.325 0.710 25439 24341 1 33 . 1 1 51 51 GLU CB C 51 29.675 29.675 29.325 0.350 25439 24342 1 33 . 1 1 51 51 GLU H H 51 8.223 8.223 7.777 0.446 25439 24343 1 33 . 1 1 52 52 ILE N N 52 119.018 119.018 119.351 -0.333 25439 24344 1 33 . 1 1 52 52 ILE HA H 52 3.673 3.673 3.704 -0.031 25439 24345 1 33 . 1 1 52 52 ILE CA C 52 65.511 65.511 65.112 0.398 25439 24346 1 33 . 1 1 52 52 ILE CB C 52 38.532 38.532 38.194 0.338 25439 24347 1 33 . 1 1 52 52 ILE H H 52 7.801 7.801 7.645 0.156 25439 24348 1 33 . 1 1 53 53 MET N N 53 118.133 118.133 117.217 0.916 25439 24349 1 33 . 1 1 53 53 MET HA H 53 4.452 4.452 4.097 0.355 25439 24350 1 33 . 1 1 53 53 MET CA C 53 58.216 58.216 58.655 -0.439 25439 24351 1 33 . 1 1 53 53 MET CB C 53 31.838 31.838 31.624 0.214 25439 24352 1 33 . 1 1 53 53 MET H H 53 8.411 8.411 7.728 0.683 25439 24353 1 33 . 1 1 54 54 GLN N N 54 120.855 120.855 119.092 1.763 25439 24354 1 33 . 1 1 54 54 GLN HA H 54 4.333 4.333 4.035 0.298 25439 24355 1 33 . 1 1 54 54 GLN CA C 54 59.004 59.004 58.699 0.305 25439 24356 1 33 . 1 1 54 54 GLN CB C 54 27.824 27.824 28.416 -0.592 25439 24357 1 33 . 1 1 54 54 GLN H H 54 8.860 8.860 8.099 0.761 25439 24358 1 33 . 1 1 55 55 LEU N N 55 122.788 122.788 119.216 3.572 25439 24359 1 33 . 1 1 55 55 LEU HA H 55 4.302 4.302 4.235 0.067 25439 24360 1 33 . 1 1 55 55 LEU CA C 55 58.685 58.685 57.222 1.463 25439 24361 1 33 . 1 1 55 55 LEU CB C 55 42.695 42.695 40.783 1.912 25439 24362 1 33 . 1 1 55 55 LEU H H 55 8.298 8.298 7.986 0.312 25439 24363 1 33 . 1 1 56 56 HIS N N 56 118.426 118.426 118.415 0.011 25439 24364 1 33 . 1 1 56 56 HIS HA H 56 4.317 4.317 4.269 0.048 25439 24365 1 33 . 1 1 56 56 HIS CA C 56 60.732 60.732 60.477 0.255 25439 24366 1 33 . 1 1 56 56 HIS CB C 56 30.530 30.530 29.880 0.650 25439 24367 1 33 . 1 1 56 56 HIS H H 56 8.416 8.416 7.930 0.486 25439 24368 1 33 . 1 1 57 57 HIS N N 57 121.197 121.197 119.661 1.536 25439 24369 1 33 . 1 1 57 57 HIS HA H 57 4.318 4.318 4.698 -0.380 25439 24370 1 33 . 1 1 57 57 HIS CA C 57 60.739 60.739 58.833 1.906 25439 24371 1 33 . 1 1 57 57 HIS CB C 57 28.726 28.726 30.329 -1.603 25439 24372 1 33 . 1 1 57 57 HIS H H 57 8.608 8.608 8.158 0.450 25439 24373 1 33 . 1 1 58 58 GLN N N 58 118.739 118.739 119.039 -0.300 25439 24374 1 33 . 1 1 58 58 GLN HA H 58 4.202 4.202 4.127 0.075 25439 24375 1 33 . 1 1 58 58 GLN CA C 58 59.507 59.507 59.806 -0.299 25439 24376 1 33 . 1 1 58 58 GLN CB C 58 29.111 29.111 28.862 0.249 25439 24377 1 33 . 1 1 58 58 GLN H H 58 9.206 9.206 8.160 1.046 25439 24378 1 33 . 1 1 59 59 ARG N N 59 122.498 122.498 120.258 2.240 25439 24379 1 33 . 1 1 59 59 ARG HA H 59 3.437 3.437 3.774 -0.337 25439 24380 1 33 . 1 1 59 59 ARG CA C 59 60.361 60.361 59.871 0.490 25439 24381 1 33 . 1 1 59 59 ARG H H 59 8.623 8.623 8.820 -0.197 25439 24382 1 33 . 1 1 60 60 SER N N 60 114.930 114.930 115.318 -0.388 25439 24383 1 33 . 1 1 60 60 SER HA H 60 4.515 4.515 4.264 0.251 25439 24384 1 33 . 1 1 60 60 SER CA C 60 64.832 64.832 61.579 3.253 25439 24385 1 33 . 1 1 60 60 SER CB C 60 63.583 63.583 63.138 0.445 25439 24386 1 33 . 1 1 60 60 SER H H 60 7.993 7.993 8.428 -0.435 25439 24387 1 33 . 1 1 61 61 ARG N N 61 124.417 124.417 122.637 1.780 25439 24388 1 33 . 1 1 61 61 ARG HA H 61 4.204 4.204 4.086 0.118 25439 24389 1 33 . 1 1 61 61 ARG CA C 61 58.852 58.852 59.655 -0.803 25439 24390 1 33 . 1 1 61 61 ARG CB C 61 29.077 29.077 30.246 -1.169 25439 24391 1 33 . 1 1 61 61 ARG H H 61 9.569 9.569 8.759 0.810 25439 24392 1 33 . 1 1 62 62 TYR N N 62 124.484 124.484 121.227 3.257 25439 24393 1 33 . 1 1 62 62 TYR HA H 62 4.676 4.676 4.296 0.380 25439 24394 1 33 . 1 1 62 62 TYR CA C 62 61.006 61.006 62.001 -0.995 25439 24395 1 33 . 1 1 62 62 TYR CB C 62 38.392 38.392 38.681 -0.289 25439 24396 1 33 . 1 1 62 62 TYR H H 62 8.622 8.622 8.272 0.350 25439 24397 1 33 . 1 1 63 63 ILE N N 63 119.789 119.789 119.052 0.737 25439 24398 1 33 . 1 1 63 63 ILE HA H 63 3.492 3.492 3.762 -0.270 25439 24399 1 33 . 1 1 63 63 ILE CA C 63 65.693 65.693 65.644 0.049 25439 24400 1 33 . 1 1 63 63 ILE CB C 63 38.023 38.023 38.245 -0.222 25439 24401 1 33 . 1 1 63 63 ILE H H 63 7.588 7.588 8.247 -0.659 25439 24402 1 33 . 1 1 64 64 TYR N N 64 120.485 120.485 121.202 -0.717 25439 24403 1 33 . 1 1 64 64 TYR HA H 64 4.577 4.577 4.287 0.290 25439 24404 1 33 . 1 1 64 64 TYR CA C 64 61.759 61.759 62.630 -0.871 25439 24405 1 33 . 1 1 64 64 TYR CB C 64 39.772 39.772 38.693 1.079 25439 24406 1 33 . 1 1 64 64 TYR H H 64 9.166 9.166 9.247 -0.081 25439 24407 1 33 . 1 1 65 65 THR N N 65 117.072 117.072 116.824 0.248 25439 24408 1 33 . 1 1 65 65 THR HA H 65 3.562 3.562 4.090 -0.528 25439 24409 1 33 . 1 1 65 65 THR CA C 65 67.016 67.016 67.416 -0.400 25439 24410 1 33 . 1 1 65 65 THR CB C 65 68.711 68.711 68.773 -0.062 25439 24411 1 33 . 1 1 65 65 THR H H 65 8.987 8.987 8.944 0.043 25439 24412 1 33 . 1 1 66 66 LEU N N 66 122.107 122.107 120.378 1.729 25439 24413 1 33 . 1 1 66 66 LEU HA H 66 3.782 3.782 4.285 -0.503 25439 24414 1 33 . 1 1 66 66 LEU CA C 66 58.476 58.476 58.040 0.436 25439 24415 1 33 . 1 1 66 66 LEU CB C 66 43.183 43.183 40.939 2.244 25439 24416 1 33 . 1 1 66 66 LEU H H 66 8.286 8.286 7.686 0.600 25439 24417 1 33 . 1 1 67 67 TYR N N 67 115.264 115.264 119.595 -4.331 25439 24418 1 33 . 1 1 67 67 TYR HA H 67 4.344 4.344 4.036 0.308 25439 24419 1 33 . 1 1 67 67 TYR CA C 67 60.830 60.830 61.479 -0.649 25439 24420 1 33 . 1 1 67 67 TYR CB C 67 40.376 40.376 39.409 0.967 25439 24421 1 33 . 1 1 67 67 TYR H H 67 7.983 7.983 8.327 -0.344 25439 24422 1 33 . 1 1 68 68 TYR N N 68 113.945 113.945 116.628 -2.683 25439 24423 1 33 . 1 1 68 68 TYR HA H 68 3.699 3.699 4.165 -0.466 25439 24424 1 33 . 1 1 68 68 TYR CA C 68 62.030 62.030 60.284 1.746 25439 24425 1 33 . 1 1 68 68 TYR CB C 68 38.046 38.046 38.728 -0.682 25439 24426 1 33 . 1 1 68 68 TYR H H 68 8.297 8.297 8.227 0.070 25439 24427 1 33 . 1 1 69 69 LYS N N 69 114.346 114.346 118.739 -4.393 25439 24428 1 33 . 1 1 69 69 LYS HA H 69 4.564 4.564 4.562 0.002 25439 24429 1 33 . 1 1 69 69 LYS CA C 69 56.821 56.821 56.766 0.055 25439 24430 1 33 . 1 1 69 69 LYS CB C 69 31.980 31.980 33.642 -1.662 25439 24431 1 33 . 1 1 69 69 LYS H H 69 7.084 7.084 7.523 -0.439 25439 24432 1 33 . 1 1 70 70 ARG N N 70 114.676 114.676 119.026 -4.350 25439 24433 1 33 . 1 1 70 70 ARG HA H 70 4.251 4.251 4.134 0.117 25439 24434 1 33 . 1 1 70 70 ARG CA C 70 56.314 56.314 57.065 -0.751 25439 24435 1 33 . 1 1 70 70 ARG CB C 70 31.128 31.128 30.543 0.585 25439 24436 1 33 . 1 1 70 70 ARG H H 70 8.178 8.178 8.212 -0.034 25439 24437 1 33 . 1 1 71 71 LYS N N 71 115.371 115.371 115.760 -0.389 25439 24438 1 33 . 1 1 71 71 LYS HA H 71 4.036 4.036 3.778 0.258 25439 24439 1 33 . 1 1 71 71 LYS CA C 71 57.121 57.121 57.267 -0.146 25439 24440 1 33 . 1 1 71 71 LYS CB C 71 28.897 28.897 30.286 -1.389 25439 24441 1 33 . 1 1 71 71 LYS H H 71 6.843 6.843 7.831 -0.988 25439 24442 1 33 . 1 1 72 72 ALA N N 72 117.701 117.701 120.982 -3.281 25439 24443 1 33 . 1 1 72 72 ALA HA H 72 4.395 4.395 4.440 -0.045 25439 24444 1 33 . 1 1 72 72 ALA CA C 72 52.597 52.597 51.887 0.710 25439 24445 1 33 . 1 1 72 72 ALA CB C 72 21.560 21.560 19.828 1.732 25439 24446 1 33 . 1 1 72 72 ALA H H 72 8.560 8.560 7.638 0.922 25439 24447 1 33 . 1 1 73 73 ILE N N 73 107.605 107.605 117.257 -9.652 25439 24448 1 33 . 1 1 73 73 ILE CB C 73 42.724 42.724 41.251 1.473 25439 24449 1 33 . 1 1 73 73 ILE H H 73 7.074 7.074 7.501 -0.427 25439 24450 1 33 . 1 1 74 74 SER N N 74 118.425 118.425 118.237 0.188 25439 24451 1 33 . 1 1 74 74 SER HA H 74 4.484 4.484 4.894 -0.409 25439 24452 1 33 . 1 1 74 74 SER CA C 74 57.082 57.082 57.418 -0.336 25439 24453 1 33 . 1 1 74 74 SER CB C 74 65.396 65.396 64.965 0.432 25439 24454 1 33 . 1 1 74 74 SER H H 74 8.797 8.797 8.412 0.385 25439 24455 1 33 . 1 1 75 75 LYS N N 75 121.891 121.891 125.507 -3.616 25439 24456 1 33 . 1 1 75 75 LYS HA H 75 3.851 3.851 4.191 -0.340 25439 24457 1 33 . 1 1 75 75 LYS CA C 75 59.624 59.624 59.985 -0.361 25439 24458 1 33 . 1 1 75 75 LYS CB C 75 32.368 32.368 32.557 -0.189 25439 24459 1 33 . 1 1 75 75 LYS H H 75 9.024 9.024 9.114 -0.090 25439 24460 1 33 . 1 1 76 76 ASP N N 76 115.908 115.908 118.795 -2.887 25439 24461 1 33 . 1 1 76 76 ASP HA H 76 4.423 4.423 4.393 0.030 25439 24462 1 33 . 1 1 76 76 ASP CA C 76 57.362 57.362 57.910 -0.548 25439 24463 1 33 . 1 1 76 76 ASP CB C 76 40.391 40.391 40.278 0.113 25439 24464 1 33 . 1 1 76 76 ASP H H 76 8.161 8.161 8.475 -0.314 25439 24465 1 33 . 1 1 77 77 LEU N N 77 121.705 121.705 121.091 0.614 25439 24466 1 33 . 1 1 77 77 LEU HA H 77 4.180 4.180 4.149 0.031 25439 24467 1 33 . 1 1 77 77 LEU CA C 77 57.818 57.818 57.851 -0.033 25439 24468 1 33 . 1 1 77 77 LEU H H 77 8.345 8.345 7.685 0.660 25439 24469 1 33 . 1 1 78 78 TYR N N 78 121.511 121.511 119.952 1.559 25439 24470 1 33 . 1 1 78 78 TYR HA H 78 3.789 3.789 3.928 -0.139 25439 24471 1 33 . 1 1 78 78 TYR CA C 78 62.857 62.857 60.755 2.103 25439 24472 1 33 . 1 1 78 78 TYR CB C 78 38.369 38.369 37.668 0.701 25439 24473 1 33 . 1 1 78 78 TYR H H 78 8.598 8.598 8.497 0.101 25439 24474 1 33 . 1 1 79 79 ASP N N 79 117.189 117.189 119.539 -2.350 25439 24475 1 33 . 1 1 79 79 ASP HA H 79 4.066 4.066 4.030 0.036 25439 24476 1 33 . 1 1 79 79 ASP CA C 79 57.219 57.219 57.178 0.041 25439 24477 1 33 . 1 1 79 79 ASP CB C 79 40.003 40.003 40.714 -0.711 25439 24478 1 33 . 1 1 79 79 ASP H H 79 9.106 9.106 8.542 0.564 25439 24479 1 33 . 1 1 80 80 TRP N N 80 123.400 123.400 122.741 0.659 25439 24480 1 33 . 1 1 80 80 TRP HA H 80 4.160 4.160 4.127 0.033 25439 24481 1 33 . 1 1 80 80 TRP CA C 80 62.368 62.368 61.863 0.505 25439 24482 1 33 . 1 1 80 80 TRP CB C 80 29.969 29.969 29.294 0.675 25439 24483 1 33 . 1 1 80 80 TRP H H 80 7.931 7.931 8.457 -0.526 25439 24484 1 33 . 1 1 81 81 LEU N N 81 119.674 119.674 119.043 0.631 25439 24485 1 33 . 1 1 81 81 LEU HA H 81 3.971 3.971 2.558 1.413 25439 24486 1 33 . 1 1 81 81 LEU CA C 81 58.294 58.294 57.508 0.785 25439 24487 1 33 . 1 1 81 81 LEU CB C 81 41.818 41.818 41.575 0.243 25439 24488 1 33 . 1 1 81 81 LEU H H 81 8.814 8.814 8.282 0.532 25439 24489 1 33 . 1 1 82 82 ILE N N 82 118.746 118.746 117.269 1.477 25439 24490 1 33 . 1 1 82 82 ILE HA H 82 3.861 3.861 3.838 0.023 25439 24491 1 33 . 1 1 82 82 ILE CA C 82 62.734 62.734 63.087 -0.353 25439 24492 1 33 . 1 1 82 82 ILE CB C 82 36.236 36.236 36.628 -0.392 25439 24493 1 33 . 1 1 82 82 ILE H H 82 7.886 7.886 7.428 0.458 25439 24494 1 33 . 1 1 83 83 LYS N N 83 124.819 124.819 118.839 5.980 25439 24495 1 33 . 1 1 83 83 LYS HA H 83 3.911 3.911 4.114 -0.203 25439 24496 1 33 . 1 1 83 83 LYS CA C 83 59.643 59.643 58.021 1.622 25439 24497 1 33 . 1 1 83 83 LYS CB C 83 32.027 32.027 32.725 -0.698 25439 24498 1 33 . 1 1 83 83 LYS H H 83 8.224 8.224 7.747 0.477 25439 24499 1 33 . 1 1 84 84 GLU N N 84 115.404 115.404 118.091 -2.687 25439 24500 1 33 . 1 1 84 84 GLU HA H 84 3.841 3.841 4.326 -0.485 25439 24501 1 33 . 1 1 84 84 GLU CA C 84 55.582 55.582 54.606 0.976 25439 24502 1 33 . 1 1 84 84 GLU CB C 84 29.459 29.459 28.760 0.699 25439 24503 1 33 . 1 1 84 84 GLU H H 84 8.138 8.138 7.283 0.855 25439 24504 1 33 . 1 1 85 85 LYS N N 85 111.563 111.563 118.651 -7.088 25439 24505 1 33 . 1 1 85 85 LYS HA H 85 3.820 3.820 3.985 -0.165 25439 24506 1 33 . 1 1 85 85 LYS CA C 85 57.890 57.890 57.117 0.773 25439 24507 1 33 . 1 1 85 85 LYS CB C 85 28.005 28.005 30.980 -2.975 25439 24508 1 33 . 1 1 85 85 LYS H H 85 7.719 7.719 7.850 -0.131 25439 24509 1 33 . 1 1 86 86 TYR N N 86 116.916 116.916 119.894 -2.978 25439 24510 1 33 . 1 1 86 86 TYR HA H 86 4.137 4.137 4.419 -0.282 25439 24511 1 33 . 1 1 86 86 TYR CA C 86 61.228 61.228 58.972 2.256 25439 24512 1 33 . 1 1 86 86 TYR CB C 86 39.535 39.535 41.059 -1.524 25439 24513 1 33 . 1 1 86 86 TYR H H 86 8.521 8.521 7.961 0.560 25439 24514 1 33 . 1 1 87 87 ALA N N 87 113.715 113.715 119.115 -5.400 25439 24515 1 33 . 1 1 87 87 ALA HA H 87 4.738 4.738 4.393 0.345 25439 24516 1 33 . 1 1 87 87 ALA CA C 87 49.121 49.121 50.464 -1.343 25439 24517 1 33 . 1 1 87 87 ALA CB C 87 23.295 23.295 21.722 1.573 25439 24518 1 33 . 1 1 87 87 ALA H H 87 6.959 6.959 7.658 -0.699 25439 24519 1 33 . 1 1 88 88 ASP N N 88 119.344 119.344 120.777 -1.433 25439 24520 1 33 . 1 1 88 88 ASP HA H 88 4.544 4.544 4.914 -0.370 25439 24521 1 33 . 1 1 88 88 ASP CA C 88 52.714 52.714 52.768 -0.054 25439 24522 1 33 . 1 1 88 88 ASP CB C 88 41.845 41.845 42.752 -0.907 25439 24523 1 33 . 1 1 88 88 ASP H H 88 7.870 7.870 8.662 -0.792 25439 24524 1 33 . 1 1 89 89 LYS N N 89 125.312 125.312 126.288 -0.976 25439 24525 1 33 . 1 1 89 89 LYS HA H 89 3.834 3.834 4.089 -0.255 25439 24526 1 33 . 1 1 89 89 LYS CA C 89 59.409 59.409 59.096 0.313 25439 24527 1 33 . 1 1 89 89 LYS CB C 89 32.848 32.848 32.244 0.604 25439 24528 1 33 . 1 1 89 89 LYS H H 89 8.467 8.467 8.795 -0.328 25439 24529 1 33 . 1 1 90 90 LEU N N 90 119.899 119.899 120.822 -0.923 25439 24530 1 33 . 1 1 90 90 LEU HA H 90 4.023 4.023 4.029 -0.006 25439 24531 1 33 . 1 1 90 90 LEU CA C 90 57.049 57.049 57.957 -0.908 25439 24532 1 33 . 1 1 90 90 LEU CB C 90 41.099 41.099 41.684 -0.585 25439 24533 1 33 . 1 1 90 90 LEU H H 90 8.076 8.076 7.980 0.096 25439 24534 1 33 . 1 1 91 91 LEU N N 91 123.148 123.148 120.568 2.580 25439 24535 1 33 . 1 1 91 91 LEU HA H 91 3.498 3.498 3.766 -0.268 25439 24536 1 33 . 1 1 91 91 LEU CA C 91 56.971 56.971 57.910 -0.939 25439 24537 1 33 . 1 1 91 91 LEU CB C 91 41.823 41.823 41.730 0.093 25439 24538 1 33 . 1 1 91 91 LEU H H 91 7.120 7.120 8.143 -1.023 25439 24539 1 33 . 1 1 92 92 ILE N N 92 116.780 116.780 118.985 -2.205 25439 24540 1 33 . 1 1 92 92 ILE HA H 92 3.265 3.265 3.836 -0.571 25439 24541 1 33 . 1 1 92 92 ILE CA C 92 65.178 65.178 65.533 -0.355 25439 24542 1 33 . 1 1 92 92 ILE CB C 92 38.209 38.209 37.639 0.570 25439 24543 1 33 . 1 1 92 92 ILE H H 92 7.384 7.384 7.764 -0.380 25439 24544 1 33 . 1 1 93 93 ALA N N 93 117.061 117.061 122.697 -5.636 25439 24545 1 33 . 1 1 93 93 ALA HA H 93 3.930 3.930 4.049 -0.119 25439 24546 1 33 . 1 1 93 93 ALA CA C 93 54.839 54.839 55.582 -0.743 25439 24547 1 33 . 1 1 93 93 ALA CB C 93 18.125 18.125 18.087 0.038 25439 24548 1 33 . 1 1 93 93 ALA H H 93 7.437 7.437 8.609 -1.172 25439 24549 1 33 . 1 1 94 94 LYS N N 94 116.036 116.036 118.839 -2.803 25439 24550 1 33 . 1 1 94 94 LYS HA H 94 3.803 3.803 3.916 -0.113 25439 24551 1 33 . 1 1 94 94 LYS CA C 94 56.945 56.945 59.837 -2.892 25439 24552 1 33 . 1 1 94 94 LYS CB C 94 31.047 31.047 31.881 -0.834 25439 24553 1 33 . 1 1 94 94 LYS H H 94 7.012 7.012 7.580 -0.568 25439 24554 1 33 . 1 1 95 95 TRP N N 95 118.700 118.700 117.542 1.158 25439 24555 1 33 . 1 1 95 95 TRP HA H 95 4.814 4.814 4.538 0.276 25439 24556 1 33 . 1 1 95 95 TRP CA C 95 57.136 57.136 59.339 -2.203 25439 24557 1 33 . 1 1 95 95 TRP CB C 95 28.171 28.171 28.983 -0.812 25439 24558 1 33 . 1 1 95 95 TRP H H 95 7.611 7.611 7.613 -0.002 25439 24559 1 33 . 1 1 96 96 ARG N N 96 113.031 113.031 116.277 -3.246 25439 24560 1 33 . 1 1 96 96 ARG HA H 96 4.233 4.233 4.257 -0.024 25439 24561 1 33 . 1 1 96 96 ARG CA C 96 56.234 56.234 58.115 -1.881 25439 24562 1 33 . 1 1 96 96 ARG CB C 96 30.245 30.245 30.710 -0.465 25439 24563 1 33 . 1 1 96 96 ARG H H 96 7.066 7.066 7.629 -0.563 25439 24564 1 33 . 1 1 97 97 LYS N N 97 123.252 123.252 119.284 3.968 25439 24565 1 33 . 1 1 97 97 LYS HA H 97 4.634 4.634 4.274 0.360 25439 24566 1 33 . 1 1 97 97 LYS CA C 97 54.937 54.937 57.010 -2.073 25439 24567 1 33 . 1 1 97 97 LYS CB C 97 34.166 34.166 32.807 1.359 25439 24568 1 33 . 1 1 97 97 LYS H H 97 8.467 8.467 8.172 0.295 25439 24569 1 33 . 1 1 98 98 THR N N 98 119.993 119.993 114.365 5.628 25439 24570 1 33 . 1 1 98 98 THR HA H 98 4.224 4.224 4.506 -0.282 25439 24571 1 33 . 1 1 98 98 THR CA C 98 64.670 64.670 61.844 2.826 25439 24572 1 33 . 1 1 98 98 THR CB C 98 69.200 69.200 69.756 -0.556 25439 24573 1 33 . 1 1 98 98 THR H H 98 8.329 8.329 8.079 0.250 25439 24574 1 33 . 1 1 99 99 GLY N N 99 116.645 116.645 111.997 4.648 25439 24575 1 33 . 1 1 99 99 GLY CA C 99 45.047 45.047 44.960 0.087 25439 24576 1 33 . 1 1 99 99 GLY H H 99 9.273 9.273 8.748 0.525 25439 24577 1 33 . 1 1 100 100 TYR N N 100 120.784 120.784 121.910 -1.126 25439 24578 1 33 . 1 1 100 100 TYR HA H 100 4.704 4.704 4.691 0.013 25439 24579 1 33 . 1 1 100 100 TYR CA C 100 57.697 57.697 55.680 2.017 25439 24580 1 33 . 1 1 100 100 TYR CB C 100 39.413 39.413 35.920 3.493 25439 24581 1 33 . 1 1 100 100 TYR H H 100 8.457 8.457 8.162 0.295 25439 24582 1 33 . 1 1 101 101 GLU N N 101 119.482 119.482 121.928 -2.446 25439 24583 1 33 . 1 1 101 101 GLU HA H 101 4.601 4.601 4.254 0.347 25439 24584 1 33 . 1 1 101 101 GLU CA C 101 61.207 61.207 58.490 2.717 25439 24585 1 33 . 1 1 101 101 GLU CB C 101 29.648 29.648 30.220 -0.571 25439 24586 1 33 . 1 1 101 101 GLU H H 101 9.836 9.836 7.975 1.861 25439 24587 1 33 . 1 1 102 102 LYS N N 102 115.179 115.179 119.846 -4.667 25439 24588 1 33 . 1 1 102 102 LYS HA H 102 4.295 4.295 4.577 -0.282 25439 24589 1 33 . 1 1 102 102 LYS CA C 102 54.207 54.207 55.064 -0.857 25439 24590 1 33 . 1 1 102 102 LYS CB C 102 32.489 32.489 32.341 0.148 25439 24591 1 33 . 1 1 102 102 LYS H H 102 8.291 8.291 8.003 0.288 25439 24592 1 33 . 1 1 103 103 LEU N N 103 119.637 119.637 123.385 -3.748 25439 24593 1 33 . 1 1 103 103 LEU HA H 103 4.385 4.385 4.866 -0.481 25439 24594 1 33 . 1 1 103 103 LEU CA C 103 56.549 56.549 54.356 2.193 25439 24595 1 33 . 1 1 103 103 LEU CB C 103 43.864 43.864 44.229 -0.365 25439 24596 1 33 . 1 1 103 103 LEU H H 103 7.642 7.642 8.534 -0.892 25439 24597 1 33 . 1 1 104 104 CYS N N 104 129.651 129.651 120.874 8.777 25439 24598 1 33 . 1 1 104 104 CYS HA H 104 4.498 4.498 5.128 -0.630 25439 24599 1 33 . 1 1 104 104 CYS CA C 104 58.076 58.076 58.265 -0.189 25439 24600 1 33 . 1 1 104 104 CYS CB C 104 32.301 32.301 27.910 4.391 25439 24601 1 33 . 1 1 104 104 CYS H H 104 8.638 8.638 9.045 -0.407 25439 24602 1 33 . 1 1 105 105 CYS N N 105 120.206 120.206 117.931 2.275 25439 24603 1 33 . 1 1 105 105 CYS HA H 105 4.806 4.806 4.702 0.104 25439 24604 1 33 . 1 1 105 105 CYS CA C 105 58.271 58.271 57.020 1.251 25439 24605 1 33 . 1 1 105 105 CYS CB C 105 32.062 32.062 29.847 2.215 25439 24606 1 33 . 1 1 105 105 CYS H H 105 8.158 8.158 7.964 0.194 25439 24607 1 33 . 1 1 106 106 LEU N N 106 115.513 115.513 120.700 -5.187 25439 24608 1 33 . 1 1 106 106 LEU HA H 106 4.054 4.054 4.202 -0.148 25439 24609 1 33 . 1 1 106 106 LEU CA C 106 56.110 56.110 56.478 -0.368 25439 24610 1 33 . 1 1 106 106 LEU CB C 106 41.227 41.227 42.291 -1.064 25439 24611 1 33 . 1 1 106 106 LEU H H 106 8.466 8.466 8.083 0.383 25439 24612 1 33 . 1 1 107 107 ARG N N 107 122.711 122.711 118.358 4.353 25439 24613 1 33 . 1 1 107 107 ARG HA H 107 3.993 3.993 4.279 -0.286 25439 24614 1 33 . 1 1 107 107 ARG CA C 107 58.311 58.311 56.312 1.999 25439 24615 1 33 . 1 1 107 107 ARG CB C 107 28.965 28.965 29.369 -0.404 25439 24616 1 33 . 1 1 107 107 ARG H H 107 8.131 8.131 8.052 0.079 25439 24617 1 33 . 1 1 108 108 CYS N N 108 119.055 119.055 118.579 0.476 25439 24618 1 33 . 1 1 108 108 CYS HA H 108 4.101 4.101 4.762 -0.661 25439 24619 1 33 . 1 1 108 108 CYS CA C 108 63.936 63.936 58.041 5.895 25439 24620 1 33 . 1 1 108 108 CYS CB C 108 30.934 30.934 27.083 3.851 25439 24621 1 33 . 1 1 108 108 CYS H H 108 8.010 8.010 8.254 -0.244 25439 24622 1 33 . 1 1 109 109 ILE N N 109 107.315 107.315 113.881 -6.566 25439 24623 1 33 . 1 1 109 109 ILE HA H 109 4.684 4.684 4.432 0.252 25439 24624 1 33 . 1 1 109 109 ILE CA C 109 60.483 60.483 60.949 -0.466 25439 24625 1 33 . 1 1 109 109 ILE CB C 109 38.320 38.320 39.067 -0.747 25439 24626 1 33 . 1 1 109 109 ILE H H 109 7.105 7.105 7.548 -0.443 25439 24627 1 33 . 1 1 110 110 GLN N N 110 122.468 122.468 122.686 -0.218 25439 24628 1 33 . 1 1 110 110 GLN HA H 110 4.268 4.268 4.147 0.121 25439 24629 1 33 . 1 1 110 110 GLN CA C 110 55.981 55.981 56.936 -0.955 25439 24630 1 33 . 1 1 110 110 GLN CB C 110 29.656 29.656 26.765 2.891 25439 24631 1 33 . 1 1 110 110 GLN H H 110 7.156 7.156 8.320 -1.164 25439 24632 1 33 . 1 1 111 111 LYS N N 111 124.650 124.650 121.140 3.510 25439 24633 1 33 . 1 1 111 111 LYS HA H 111 4.246 4.246 4.546 -0.300 25439 24634 1 33 . 1 1 111 111 LYS CA C 111 56.546 56.546 55.307 1.239 25439 24635 1 33 . 1 1 111 111 LYS CB C 111 32.846 32.846 35.206 -2.360 25439 24636 1 33 . 1 1 111 111 LYS H H 111 8.522 8.522 8.303 0.219 25439 24637 1 33 . 1 1 112 112 ASN N N 112 120.972 120.972 119.659 1.313 25439 24638 1 33 . 1 1 112 112 ASN HA H 112 4.778 4.778 4.656 0.122 25439 24639 1 33 . 1 1 112 112 ASN CA C 112 52.902 52.902 54.433 -1.531 25439 24640 1 33 . 1 1 112 112 ASN CB C 112 39.328 39.328 39.492 -0.164 25439 24641 1 33 . 1 1 112 112 ASN H H 112 8.360 8.360 8.736 -0.376 25439 24642 1 33 . 1 1 113 113 GLU N N 113 121.710 121.710 118.595 3.115 25439 24643 1 33 . 1 1 113 113 GLU HA H 113 4.248 4.248 4.412 -0.164 25439 24644 1 33 . 1 1 113 113 GLU CA C 113 58.611 58.611 56.797 1.814 25439 24645 1 33 . 1 1 113 113 GLU CB C 113 29.590 29.590 30.901 -1.311 25439 24646 1 33 . 1 1 113 113 GLU H H 113 9.023 9.023 8.161 0.862 25439 24647 1 33 . 1 1 114 114 THR N N 114 112.186 112.186 112.560 -0.374 25439 24648 1 33 . 1 1 114 114 THR HA H 114 4.321 4.321 4.584 -0.263 25439 24649 1 33 . 1 1 114 114 THR CA C 114 63.161 63.161 61.826 1.335 25439 24650 1 33 . 1 1 114 114 THR CB C 114 69.481 69.481 69.102 0.379 25439 24651 1 33 . 1 1 114 114 THR H H 114 8.112 8.112 8.242 -0.130 25439 24652 1 33 . 1 1 115 115 ASN N N 115 119.112 119.112 121.911 -2.799 25439 24653 1 33 . 1 1 115 115 ASN HA H 115 4.829 4.829 4.731 0.097 25439 24654 1 33 . 1 1 115 115 ASN CA C 115 53.110 53.110 53.201 -0.091 25439 24655 1 33 . 1 1 115 115 ASN CB C 115 38.659 38.659 39.775 -1.116 25439 24656 1 33 . 1 1 115 115 ASN H H 115 8.047 8.047 8.509 -0.462 25439 24657 1 33 . 1 1 116 116 ASN N N 116 117.175 117.175 118.295 -1.120 25439 24658 1 33 . 1 1 116 116 ASN HA H 116 4.615 4.615 4.535 0.080 25439 24659 1 33 . 1 1 116 116 ASN CA C 116 53.965 53.965 53.832 0.133 25439 24660 1 33 . 1 1 116 116 ASN CB C 116 38.173 38.173 37.619 0.554 25439 24661 1 33 . 1 1 116 116 ASN H H 116 8.364 8.364 8.331 0.033 25439 24662 1 33 . 1 1 117 117 GLY N N 117 107.294 107.294 108.065 -0.771 25439 24663 1 33 . 1 1 117 117 GLY CA C 117 45.882 45.882 45.978 -0.096 25439 24664 1 33 . 1 1 117 117 GLY H H 117 8.264 8.264 8.405 -0.141 25439 24665 1 33 . 1 1 118 118 SER N N 118 115.475 115.475 118.933 -3.458 25439 24666 1 33 . 1 1 118 118 SER HA H 118 4.586 4.586 4.842 -0.256 25439 24667 1 33 . 1 1 118 118 SER CA C 118 57.974 57.974 57.748 0.226 25439 24668 1 33 . 1 1 118 118 SER CB C 118 64.479 64.479 63.458 1.021 25439 24669 1 33 . 1 1 118 118 SER H H 118 7.905 7.905 8.355 -0.450 25439 24670 1 33 . 1 1 119 119 THR N N 119 111.360 111.360 118.141 -6.781 25439 24671 1 33 . 1 1 119 119 THR HA H 119 4.450 4.450 4.564 -0.114 25439 24672 1 33 . 1 1 119 119 THR CA C 119 61.215 61.215 60.785 0.430 25439 24673 1 33 . 1 1 119 119 THR CB C 119 70.569 70.569 71.504 -0.935 25439 24674 1 33 . 1 1 119 119 THR H H 119 8.044 8.044 7.993 0.051 25439 24675 1 33 . 1 1 120 120 CYS N N 120 122.708 122.708 121.840 0.868 25439 24676 1 33 . 1 1 120 120 CYS HA H 120 4.255 4.255 4.748 -0.493 25439 24677 1 33 . 1 1 120 120 CYS CA C 120 61.469 61.469 57.839 3.631 25439 24678 1 33 . 1 1 120 120 CYS CB C 120 30.892 30.892 28.993 1.899 25439 24679 1 33 . 1 1 120 120 CYS H H 120 8.045 8.045 8.501 -0.456 25439 24680 1 33 . 1 1 121 121 ILE N N 121 132.463 132.463 123.970 8.493 25439 24681 1 33 . 1 1 121 121 ILE HA H 121 4.025 4.025 3.829 0.196 25439 24682 1 33 . 1 1 121 121 ILE CA C 121 63.353 63.353 63.174 0.179 25439 24683 1 33 . 1 1 121 121 ILE CB C 121 38.222 38.222 37.599 0.623 25439 24684 1 33 . 1 1 121 121 ILE H H 121 8.237 8.237 8.393 -0.156 25439 24685 1 33 . 1 1 122 122 CYS N N 122 123.931 123.931 118.353 5.578 25439 24686 1 33 . 1 1 122 122 CYS HA H 122 4.233 4.233 4.181 0.052 25439 24687 1 33 . 1 1 122 122 CYS CA C 122 60.230 60.230 60.587 -0.357 25439 24688 1 33 . 1 1 122 122 CYS CB C 122 30.602 30.602 26.087 4.515 25439 24689 1 33 . 1 1 122 122 CYS H H 122 9.355 9.355 7.499 1.856 25439 24690 1 33 . 1 1 123 123 ARG N N 123 119.561 119.561 120.734 -1.173 25439 24691 1 33 . 1 1 123 123 ARG HA H 123 4.150 4.150 4.338 -0.188 25439 24692 1 33 . 1 1 123 123 ARG CA C 123 53.177 53.177 58.453 -5.276 25439 24693 1 33 . 1 1 123 123 ARG CB C 123 27.961 27.961 30.503 -2.542 25439 24694 1 33 . 1 1 123 123 ARG H H 123 7.677 7.677 7.776 -0.099 25439 24695 1 33 . 1 1 124 124 VAL N N 124 122.794 122.794 121.028 1.766 25439 24696 1 33 . 1 1 124 124 VAL HA H 124 4.081 4.081 4.081 -0.000 25439 24697 1 33 . 1 1 124 124 VAL CA C 124 60.647 60.647 60.426 0.221 25439 24698 1 33 . 1 1 124 124 VAL CB C 124 32.857 32.857 31.085 1.772 25439 24699 1 33 . 1 1 124 124 VAL H H 124 7.578 7.578 7.394 0.184 25439 24700 1 33 . 1 1 125 125 PRO HA H 125 4.263 4.263 4.554 -0.291 25439 24701 1 33 . 1 1 125 125 PRO CA C 125 63.268 63.268 62.461 0.807 25439 24702 1 33 . 1 1 125 125 PRO CB C 125 32.379 32.379 32.933 -0.554 25439 24703 1 33 . 1 1 126 126 ARG N N 126 128.350 128.350 119.508 8.842 25439 24704 1 33 . 1 1 126 126 ARG HA H 126 3.912 3.912 4.117 -0.205 25439 24705 1 33 . 1 1 126 126 ARG CA C 126 59.653 59.653 59.426 0.227 25439 24706 1 33 . 1 1 126 126 ARG CB C 126 29.339 29.339 29.308 0.031 25439 24707 1 33 . 1 1 126 126 ARG H H 126 9.534 9.534 8.803 0.731 25439 24708 1 33 . 1 1 127 127 ALA N N 127 119.169 119.169 122.224 -3.055 25439 24709 1 33 . 1 1 127 127 ALA HA H 127 4.192 4.192 4.134 0.058 25439 24710 1 33 . 1 1 127 127 ALA CA C 127 55.227 55.227 55.179 0.048 25439 24711 1 33 . 1 1 127 127 ALA CB C 127 18.363 18.363 18.084 0.279 25439 24712 1 33 . 1 1 127 127 ALA H H 127 9.263 9.263 8.387 0.876 25439 24713 1 33 . 1 1 128 128 GLN N N 128 117.345 117.345 118.152 -0.807 25439 24714 1 33 . 1 1 128 128 GLN HA H 128 4.209 4.209 4.103 0.106 25439 24715 1 33 . 1 1 128 128 GLN CA C 128 58.506 58.506 58.952 -0.445 25439 24716 1 33 . 1 1 128 128 GLN CB C 128 28.220 28.220 28.343 -0.123 25439 24717 1 33 . 1 1 128 128 GLN H H 128 7.448 7.448 8.443 -0.995 25439 24718 1 33 . 1 1 129 129 LEU N N 129 120.561 120.561 120.582 -0.021 25439 24719 1 33 . 1 1 129 129 LEU HA H 129 4.088 4.088 3.969 0.119 25439 24720 1 33 . 1 1 129 129 LEU CA C 129 57.952 57.952 57.975 -0.023 25439 24721 1 33 . 1 1 129 129 LEU CB C 129 41.817 41.817 41.898 -0.081 25439 24722 1 33 . 1 1 129 129 LEU H H 129 7.622 7.622 7.601 0.021 25439 24723 1 33 . 1 1 130 130 GLU N N 130 119.122 119.122 118.602 0.520 25439 24724 1 33 . 1 1 130 130 GLU HA H 130 3.956 3.956 3.924 0.032 25439 24725 1 33 . 1 1 130 130 GLU CA C 130 59.353 59.353 59.923 -0.570 25439 24726 1 33 . 1 1 130 130 GLU CB C 130 29.337 29.337 29.252 0.085 25439 24727 1 33 . 1 1 130 130 GLU H H 130 8.656 8.656 8.760 -0.104 25439 24728 1 33 . 1 1 131 131 GLU N N 131 121.469 121.469 119.280 2.189 25439 24729 1 33 . 1 1 131 131 GLU HA H 131 4.163 4.163 3.990 0.173 25439 24730 1 33 . 1 1 131 131 GLU CA C 131 59.288 59.288 59.652 -0.364 25439 24731 1 33 . 1 1 131 131 GLU CB C 131 29.422 29.422 29.515 -0.093 25439 24732 1 33 . 1 1 131 131 GLU H H 131 7.922 7.922 7.971 -0.049 25439 24733 1 33 . 1 1 132 132 GLU N N 132 119.241 119.241 119.367 -0.126 25439 24734 1 33 . 1 1 132 132 GLU HA H 132 3.998 3.998 4.017 -0.019 25439 24735 1 33 . 1 1 132 132 GLU CA C 132 59.327 59.327 59.174 0.153 25439 24736 1 33 . 1 1 132 132 GLU CB C 132 29.421 29.421 29.405 0.016 25439 24737 1 33 . 1 1 132 132 GLU H H 132 8.099 8.099 7.559 0.540 25439 24738 1 33 . 1 1 133 133 ALA N N 133 121.302 121.302 121.603 -0.301 25439 24739 1 33 . 1 1 133 133 ALA HA H 133 4.053 4.053 4.066 -0.013 25439 24740 1 33 . 1 1 133 133 ALA CA C 133 54.973 54.973 55.165 -0.192 25439 24741 1 33 . 1 1 133 133 ALA CB C 133 18.154 18.154 18.289 -0.135 25439 24742 1 33 . 1 1 133 133 ALA H H 133 7.795 7.795 7.639 0.156 25439 24743 1 33 . 1 1 134 134 ARG N N 134 118.757 118.757 117.864 0.893 25439 24744 1 33 . 1 1 134 134 ARG HA H 134 4.143 4.143 4.063 0.080 25439 24745 1 33 . 1 1 134 134 ARG CA C 134 59.438 59.438 58.943 0.495 25439 24746 1 33 . 1 1 134 134 ARG CB C 134 30.148 30.148 30.293 -0.145 25439 24747 1 33 . 1 1 134 134 ARG H H 134 8.145 8.145 8.113 0.032 25439 24748 1 33 . 1 1 135 135 LYS N N 135 119.496 119.496 118.142 1.354 25439 24749 1 33 . 1 1 135 135 LYS HA H 135 4.073 4.073 4.178 -0.105 25439 24750 1 33 . 1 1 135 135 LYS CA C 135 59.327 59.327 58.494 0.833 25439 24751 1 33 . 1 1 135 135 LYS CB C 135 32.539 32.539 32.758 -0.219 25439 24752 1 33 . 1 1 135 135 LYS H H 135 8.036 8.036 7.969 0.067 25439 24753 1 33 . 1 1 136 136 LYS N N 136 116.645 116.645 117.005 -0.360 25439 24754 1 33 . 1 1 136 136 LYS HA H 136 4.362 4.362 4.274 0.088 25439 24755 1 33 . 1 1 136 136 LYS CA C 136 56.575 56.575 56.833 -0.258 25439 24756 1 33 . 1 1 136 136 LYS CB C 136 33.629 33.629 33.235 0.394 25439 24757 1 33 . 1 1 136 136 LYS H H 136 7.682 7.682 8.143 -0.461 25439 24758 1 33 . 1 1 137 137 GLY N N 137 109.349 109.349 108.127 1.222 25439 24759 1 33 . 1 1 137 137 GLY CA C 137 46.358 46.358 45.306 1.052 25439 24760 1 33 . 1 1 137 137 GLY H H 137 8.064 8.064 8.010 0.054 25439 24761 1 33 . 1 1 138 138 THR N N 138 112.870 112.870 113.749 -0.879 25439 24762 1 33 . 1 1 138 138 THR HA H 138 4.735 4.735 4.635 0.100 25439 24763 1 33 . 1 1 138 138 THR CA C 138 59.308 59.308 60.674 -1.366 25439 24764 1 33 . 1 1 138 138 THR CB C 138 70.755 70.755 70.578 0.177 25439 24765 1 33 . 1 1 138 138 THR H H 138 8.111 8.111 8.147 -0.036 25439 24766 1 33 . 1 1 139 139 GLN N N 139 118.177 118.177 120.267 -2.090 25439 24767 1 33 . 1 1 139 139 GLN HA H 139 4.609 4.609 4.592 0.017 25439 24768 1 33 . 1 1 139 139 GLN CA C 139 54.435 54.435 55.048 -0.613 25439 24769 1 33 . 1 1 139 139 GLN CB C 139 30.777 30.777 31.231 -0.454 25439 24770 1 33 . 1 1 139 139 GLN H H 139 8.227 8.227 8.428 -0.201 25439 24771 1 33 . 1 1 140 140 VAL N N 140 123.601 123.601 122.201 1.400 25439 24772 1 33 . 1 1 140 140 VAL HA H 140 3.790 3.790 4.470 -0.680 25439 24773 1 33 . 1 1 140 140 VAL CA C 140 63.934 63.934 61.682 2.252 25439 24774 1 33 . 1 1 140 140 VAL CB C 140 32.154 32.154 33.594 -1.440 25439 24775 1 33 . 1 1 140 140 VAL H H 140 8.839 8.839 8.474 0.365 25439 24776 1 33 . 1 1 141 141 SER HA H 141 4.524 4.524 4.471 0.053 25439 24777 1 33 . 1 1 141 141 SER CA C 141 57.841 57.841 57.883 -0.042 25439 24778 1 33 . 1 1 141 141 SER CB C 141 64.174 64.174 63.472 0.702 25439 24779 1 33 . 1 1 142 142 PHE N N 142 123.726 123.726 125.070 -1.344 25439 24780 1 33 . 1 1 142 142 PHE HA H 142 4.458 4.458 4.669 -0.211 25439 24781 1 33 . 1 1 142 142 PHE CA C 142 58.673 58.673 57.882 0.791 25439 24782 1 33 . 1 1 142 142 PHE CB C 142 40.055 40.055 40.956 -0.902 25439 24783 1 33 . 1 1 142 142 PHE H H 142 7.534 7.534 8.123 -0.589 25439 24784 1 33 . 1 1 143 143 HIS N N 143 126.548 126.548 119.172 7.376 25439 24785 1 33 . 1 1 143 143 HIS HA H 143 4.336 4.336 4.358 -0.022 25439 24786 1 33 . 1 1 143 143 HIS CA C 143 56.837 56.837 55.929 0.908 25439 24787 1 33 . 1 1 143 143 HIS CB C 143 31.949 31.949 32.316 -0.367 25439 24788 1 33 . 1 1 143 143 HIS H H 143 8.308 8.308 7.325 0.983 25439 24789 1 33 . 1 1 144 144 GLN N N 144 115.094 115.094 116.109 -1.015 25439 24790 1 33 . 1 1 144 144 GLN HA H 144 4.433 4.433 4.540 -0.107 25439 24791 1 33 . 1 1 144 144 GLN CA C 144 54.210 54.210 53.260 0.950 25439 24792 1 33 . 1 1 144 144 GLN CB C 144 32.925 32.925 31.885 1.040 25439 24793 1 33 . 1 1 144 144 GLN H H 144 7.203 7.203 7.002 0.201 25439 24794 1 33 . 1 1 145 145 CYS N N 145 123.088 123.088 118.353 4.735 25439 24795 1 33 . 1 1 145 145 CYS HA H 145 4.961 4.961 5.061 -0.100 25439 24796 1 33 . 1 1 145 145 CYS CA C 145 57.978 57.978 56.791 1.187 25439 24797 1 33 . 1 1 145 145 CYS CB C 145 33.555 33.555 29.853 3.702 25439 24798 1 33 . 1 1 145 145 CYS H H 145 8.668 8.668 8.555 0.113 25439 24799 1 33 . 1 1 146 146 VAL N N 146 113.265 113.265 117.536 -4.271 25439 24800 1 33 . 1 1 146 146 VAL HA H 146 4.238 4.238 4.217 0.021 25439 24801 1 33 . 1 1 146 146 VAL CA C 146 64.001 64.001 65.337 -1.336 25439 24802 1 33 . 1 1 146 146 VAL CB C 146 32.157 32.157 32.107 0.050 25439 24803 1 33 . 1 1 146 146 VAL H H 146 8.198 8.198 8.241 -0.043 25439 24804 1 33 . 1 1 147 147 HIS N N 147 120.556 120.556 118.367 2.189 25439 24805 1 33 . 1 1 147 147 HIS HA H 147 4.604 4.604 4.421 0.183 25439 24806 1 33 . 1 1 147 147 HIS CA C 147 58.708 58.708 58.372 0.336 25439 24807 1 33 . 1 1 147 147 HIS CB C 147 32.204 32.204 29.477 2.727 25439 24808 1 33 . 1 1 147 147 HIS H H 147 7.151 7.151 8.250 -1.099 25439 24809 1 33 . 1 1 148 148 CYS N N 148 112.110 112.110 112.452 -0.342 25439 24810 1 33 . 1 1 148 148 CYS HA H 148 4.889 4.889 4.866 0.023 25439 24811 1 33 . 1 1 148 148 CYS CA C 148 57.952 57.952 55.675 2.277 25439 24812 1 33 . 1 1 148 148 CYS CB C 148 32.956 32.956 30.348 2.608 25439 24813 1 33 . 1 1 148 148 CYS H H 148 7.413 7.413 7.302 0.111 25439 24814 1 33 . 1 1 149 149 GLY N N 149 112.797 112.797 108.067 4.730 25439 24815 1 33 . 1 1 149 149 GLY CA C 149 45.327 45.327 44.237 1.090 25439 24816 1 33 . 1 1 149 149 GLY H H 149 6.949 6.949 8.246 -1.298 25439 24817 1 33 . 1 1 150 150 CYS N N 150 127.277 127.277 119.931 7.346 25439 24818 1 33 . 1 1 150 150 CYS HA H 150 3.932 3.932 4.516 -0.584 25439 24819 1 33 . 1 1 150 150 CYS CA C 150 61.362 61.362 57.149 4.213 25439 24820 1 33 . 1 1 150 150 CYS CB C 150 30.632 30.632 29.671 0.962 25439 24821 1 33 . 1 1 150 150 CYS H H 150 8.240 8.240 7.063 1.177 25439 24822 1 33 . 1 1 151 151 ARG N N 151 125.476 125.476 125.965 -0.489 25439 24823 1 33 . 1 1 151 151 ARG HA H 151 4.775 4.775 4.331 0.444 25439 24824 1 33 . 1 1 151 151 ARG CA C 151 56.164 56.164 54.666 1.498 25439 24825 1 33 . 1 1 151 151 ARG CB C 151 30.354 30.354 28.635 1.719 25439 24826 1 33 . 1 1 151 151 ARG H H 151 8.492 8.492 8.577 -0.085 25439 24827 1 33 . 1 1 152 152 GLY N N 152 117.275 117.275 108.239 9.036 25439 24828 1 33 . 1 1 152 152 GLY CA C 152 45.523 45.523 45.614 -0.090 25439 24829 1 33 . 1 1 152 152 GLY H H 152 9.812 9.812 7.651 2.161 25439 24830 1 33 . 1 1 153 153 CYS N N 153 126.187 126.187 118.871 7.316 25439 24831 1 33 . 1 1 153 153 CYS HA H 153 4.842 4.842 4.833 0.009 25439 24832 1 33 . 1 1 153 153 CYS CA C 153 57.130 57.130 55.782 1.348 25439 24833 1 33 . 1 1 153 153 CYS CB C 153 31.368 31.368 28.365 3.003 25439 24834 1 33 . 1 1 153 153 CYS H H 153 8.930 8.930 8.208 0.722 25439 24835 1 33 . 1 1 154 154 ALA N N 154 125.869 125.869 126.023 -0.154 25439 24836 1 33 . 1 1 154 154 ALA HA H 154 4.159 4.159 5.071 -0.912 25439 24837 1 33 . 1 1 154 154 ALA CA C 154 53.187 53.187 51.343 1.844 25439 24838 1 33 . 1 1 154 154 ALA CB C 154 18.937 18.937 21.445 -2.508 25439 24839 1 33 . 1 1 154 154 ALA H H 154 8.616 8.616 8.347 0.269 25439 24840 1 33 . 1 1 155 155 SER N N 155 116.724 116.724 117.940 -1.216 25439 24841 1 33 . 1 1 155 155 SER HA H 155 4.283 4.283 4.397 -0.114 25439 24842 1 33 . 1 1 155 155 SER CA C 155 60.136 60.136 60.068 0.069 25439 24843 1 33 . 1 1 155 155 SER CB C 155 63.575 63.575 64.095 -0.520 25439 24844 1 33 . 1 1 155 155 SER H H 155 9.358 9.358 8.942 0.416 25439 24845 1 33 . 1 1 156 156 THR N N 156 111.893 111.893 115.270 -3.377 25439 24846 1 33 . 1 1 156 156 THR HA H 156 4.358 4.358 4.091 0.267 25439 24847 1 33 . 1 1 156 156 THR CA C 156 61.264 61.264 64.346 -3.082 25439 24848 1 33 . 1 1 156 156 THR CB C 156 69.999 69.999 68.819 1.180 25439 24849 1 33 . 1 1 156 156 THR H H 156 7.638 7.638 8.209 -0.571 25439 24850 1 34 . 1 1 0 0 GLY CA C 0 43.750 43.750 44.633 -0.883 25439 24851 1 34 . 1 1 1 1 SER N N 1 117.201 117.201 116.645 0.556 25439 24852 1 34 . 1 1 1 1 SER HA H 1 4.809 4.809 4.785 0.024 25439 24853 1 34 . 1 1 1 1 SER CA C 1 56.525 56.525 56.035 0.491 25439 24854 1 34 . 1 1 1 1 SER CB C 1 63.385 63.385 64.834 -1.449 25439 24855 1 34 . 1 1 1 1 SER H H 1 8.381 8.381 8.419 -0.038 25439 24856 1 34 . 1 1 2 2 PRO HA H 2 4.468 4.468 4.509 -0.041 25439 24857 1 34 . 1 1 2 2 PRO CA C 2 63.292 63.292 63.013 0.279 25439 24858 1 34 . 1 1 2 2 PRO CB C 2 32.174 32.174 31.791 0.383 25439 24859 1 34 . 1 1 3 3 ARG N N 3 121.649 121.649 125.326 -3.677 25439 24860 1 34 . 1 1 3 3 ARG HA H 3 4.324 4.324 4.637 -0.313 25439 24861 1 34 . 1 1 3 3 ARG CA C 3 56.226 56.226 55.639 0.588 25439 24862 1 34 . 1 1 3 3 ARG CB C 3 30.732 30.732 29.859 0.873 25439 24863 1 34 . 1 1 3 3 ARG H H 3 8.428 8.428 8.527 -0.099 25439 24864 1 34 . 1 1 4 4 ILE N N 4 122.500 122.500 123.085 -0.585 25439 24865 1 34 . 1 1 4 4 ILE HA H 4 4.181 4.181 4.306 -0.125 25439 24866 1 34 . 1 1 4 4 ILE CA C 4 60.943 60.943 61.050 -0.107 25439 24867 1 34 . 1 1 4 4 ILE CB C 4 38.751 38.751 39.758 -1.008 25439 24868 1 34 . 1 1 4 4 ILE H H 4 8.165 8.165 8.257 -0.092 25439 24869 1 34 . 1 1 5 5 LYS N N 5 126.237 126.237 127.923 -1.686 25439 24870 1 34 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.620 -0.217 25439 24871 1 34 . 1 1 5 5 LYS CA C 5 56.422 56.422 56.074 0.348 25439 24872 1 34 . 1 1 5 5 LYS CB C 5 33.130 33.130 33.681 -0.551 25439 24873 1 34 . 1 1 5 5 LYS H H 5 8.500 8.500 8.535 -0.035 25439 24874 1 34 . 1 1 6 6 THR N N 6 116.495 116.495 115.736 0.759 25439 24875 1 34 . 1 1 6 6 THR HA H 6 4.323 4.323 4.688 -0.365 25439 24876 1 34 . 1 1 6 6 THR CA C 6 61.918 61.918 61.887 0.031 25439 24877 1 34 . 1 1 6 6 THR CB C 6 69.963 69.963 69.762 0.201 25439 24878 1 34 . 1 1 6 6 THR H H 6 8.194 8.194 8.427 -0.233 25439 24879 1 34 . 1 1 7 7 ARG N N 7 124.128 124.128 125.951 -1.823 25439 24880 1 34 . 1 1 7 7 ARG HA H 7 4.396 4.396 4.537 -0.141 25439 24881 1 34 . 1 1 7 7 ARG CA C 7 56.128 56.128 56.258 -0.130 25439 24882 1 34 . 1 1 7 7 ARG CB C 7 30.953 30.953 31.726 -0.773 25439 24883 1 34 . 1 1 7 7 ARG H H 7 8.458 8.458 8.886 -0.428 25439 24884 1 34 . 1 1 8 8 ARG N N 8 123.384 123.384 121.564 1.820 25439 24885 1 34 . 1 1 8 8 ARG HA H 8 4.424 4.424 4.596 -0.172 25439 24886 1 34 . 1 1 8 8 ARG CA C 8 56.011 56.011 56.263 -0.252 25439 24887 1 34 . 1 1 8 8 ARG CB C 8 31.058 31.058 30.637 0.421 25439 24888 1 34 . 1 1 8 8 ARG H H 8 8.526 8.526 8.330 0.196 25439 24889 1 34 . 1 1 9 9 SER N N 9 118.446 118.446 116.735 1.711 25439 24890 1 34 . 1 1 9 9 SER HA H 9 4.473 4.473 4.782 -0.309 25439 24891 1 34 . 1 1 9 9 SER CA C 9 58.568 58.568 57.775 0.793 25439 24892 1 34 . 1 1 9 9 SER CB C 9 63.986 63.986 65.087 -1.101 25439 24893 1 34 . 1 1 9 9 SER H H 9 8.450 8.450 8.361 0.089 25439 24894 1 34 . 1 1 10 10 LYS N N 10 124.117 124.117 124.675 -0.558 25439 24895 1 34 . 1 1 10 10 LYS HA H 10 4.673 4.673 4.933 -0.260 25439 24896 1 34 . 1 1 10 10 LYS CA C 10 54.412 54.412 54.070 0.342 25439 24897 1 34 . 1 1 10 10 LYS CB C 10 32.693 32.693 33.493 -0.800 25439 24898 1 34 . 1 1 10 10 LYS H H 10 8.426 8.426 8.690 -0.264 25439 24899 1 34 . 1 1 11 11 PRO HA H 11 4.360 4.360 4.782 -0.422 25439 24900 1 34 . 1 1 11 11 PRO CA C 11 62.861 62.861 62.514 0.347 25439 24901 1 34 . 1 1 11 11 PRO CB C 11 32.106 32.106 32.527 -0.421 25439 24902 1 34 . 1 1 12 12 ALA N N 12 124.420 124.420 122.916 1.504 25439 24903 1 34 . 1 1 12 12 ALA HA H 12 2.889 2.889 2.386 0.503 25439 24904 1 34 . 1 1 12 12 ALA CA C 12 49.735 49.735 49.807 -0.072 25439 24905 1 34 . 1 1 12 12 ALA CB C 12 18.066 18.066 17.187 0.879 25439 24906 1 34 . 1 1 12 12 ALA H H 12 7.890 7.890 7.985 -0.095 25439 24907 1 34 . 1 1 13 13 PRO HA H 13 4.207 4.207 4.305 -0.098 25439 24908 1 34 . 1 1 13 13 PRO CA C 13 62.111 62.111 62.273 -0.162 25439 24909 1 34 . 1 1 13 13 PRO CB C 13 32.582 32.582 30.498 2.084 25439 24910 1 34 . 1 1 14 14 ASP N N 14 119.535 119.535 123.295 -3.760 25439 24911 1 34 . 1 1 14 14 ASP HA H 14 4.379 4.379 4.278 0.101 25439 24912 1 34 . 1 1 14 14 ASP CA C 14 56.427 56.427 55.364 1.063 25439 24913 1 34 . 1 1 14 14 ASP CB C 14 41.177 41.177 40.276 0.901 25439 24914 1 34 . 1 1 14 14 ASP H H 14 8.206 8.206 8.132 0.074 25439 24915 1 34 . 1 1 15 15 GLY N N 15 113.273 113.273 108.386 4.887 25439 24916 1 34 . 1 1 15 15 GLY CA C 15 45.146 45.146 45.081 0.065 25439 24917 1 34 . 1 1 15 15 GLY H H 15 8.723 8.723 7.898 0.825 25439 24918 1 34 . 1 1 16 16 PHE N N 16 123.113 123.113 122.759 0.354 25439 24919 1 34 . 1 1 16 16 PHE HA H 16 4.125 4.125 4.468 -0.343 25439 24920 1 34 . 1 1 16 16 PHE CA C 16 60.715 60.715 58.982 1.733 25439 24921 1 34 . 1 1 16 16 PHE CB C 16 39.639 39.639 39.087 0.552 25439 24922 1 34 . 1 1 16 16 PHE H H 16 8.127 8.127 8.000 0.127 25439 24923 1 34 . 1 1 17 17 GLU N N 17 115.695 115.695 119.248 -3.553 25439 24924 1 34 . 1 1 17 17 GLU HA H 17 3.768 3.768 3.831 -0.063 25439 24925 1 34 . 1 1 17 17 GLU CA C 17 59.234 59.234 59.620 -0.386 25439 24926 1 34 . 1 1 17 17 GLU CB C 17 28.495 28.495 29.003 -0.508 25439 24927 1 34 . 1 1 17 17 GLU H H 17 9.088 9.088 8.751 0.337 25439 24928 1 34 . 1 1 18 18 LYS N N 18 115.887 115.887 117.652 -1.765 25439 24929 1 34 . 1 1 18 18 LYS HA H 18 4.165 4.165 4.060 0.105 25439 24930 1 34 . 1 1 18 18 LYS CA C 18 58.249 58.249 58.600 -0.351 25439 24931 1 34 . 1 1 18 18 LYS CB C 18 32.725 32.725 32.782 -0.057 25439 24932 1 34 . 1 1 18 18 LYS H H 18 7.285 7.285 7.808 -0.523 25439 24933 1 34 . 1 1 19 19 ILE N N 19 110.277 110.277 110.679 -0.402 25439 24934 1 34 . 1 1 19 19 ILE HA H 19 4.722 4.722 4.754 -0.032 25439 24935 1 34 . 1 1 19 19 ILE CA C 19 61.093 61.093 60.003 1.090 25439 24936 1 34 . 1 1 19 19 ILE CB C 19 39.139 39.139 38.307 0.832 25439 24937 1 34 . 1 1 19 19 ILE H H 19 7.031 7.031 7.631 -0.600 25439 24938 1 34 . 1 1 20 20 LYS N N 20 124.540 124.540 122.765 1.775 25439 24939 1 34 . 1 1 20 20 LYS HA H 20 3.603 3.603 3.847 -0.244 25439 24940 1 34 . 1 1 20 20 LYS CA C 20 60.917 60.917 59.791 1.126 25439 24941 1 34 . 1 1 20 20 LYS CB C 20 30.210 30.210 30.468 -0.259 25439 24942 1 34 . 1 1 20 20 LYS H H 20 7.666 7.666 7.476 0.190 25439 24943 1 34 . 1 1 21 21 PRO HA H 21 4.292 4.292 4.546 -0.254 25439 24944 1 34 . 1 1 21 21 PRO CA C 21 66.990 66.990 65.377 1.613 25439 24945 1 34 . 1 1 21 21 PRO CB C 21 30.779 30.779 31.520 -0.741 25439 24946 1 34 . 1 1 22 22 THR N N 22 114.917 114.917 115.174 -0.257 25439 24947 1 34 . 1 1 22 22 THR HA H 22 3.866 3.866 4.077 -0.211 25439 24948 1 34 . 1 1 22 22 THR CA C 22 66.575 66.575 66.443 0.132 25439 24949 1 34 . 1 1 22 22 THR CB C 22 68.731 68.731 68.558 0.173 25439 24950 1 34 . 1 1 22 22 THR H H 22 7.331 7.331 8.180 -0.849 25439 24951 1 34 . 1 1 23 23 LEU N N 23 120.152 120.152 120.558 -0.406 25439 24952 1 34 . 1 1 23 23 LEU HA H 23 4.397 4.397 3.960 0.437 25439 24953 1 34 . 1 1 23 23 LEU CA C 23 58.740 58.740 57.753 0.987 25439 24954 1 34 . 1 1 23 23 LEU CB C 23 40.489 40.489 41.838 -1.349 25439 24955 1 34 . 1 1 23 23 LEU H H 23 7.991 7.991 7.584 0.407 25439 24956 1 34 . 1 1 24 24 THR N N 24 119.365 119.365 114.366 4.999 25439 24957 1 34 . 1 1 24 24 THR HA H 24 4.095 4.095 3.949 0.146 25439 24958 1 34 . 1 1 24 24 THR CA C 24 66.834 66.834 66.938 -0.104 25439 24959 1 34 . 1 1 24 24 THR CB C 24 68.614 68.614 68.200 0.414 25439 24960 1 34 . 1 1 24 24 THR H H 24 9.175 9.175 7.524 1.651 25439 24961 1 34 . 1 1 25 25 ASP N N 25 122.865 122.865 121.216 1.649 25439 24962 1 34 . 1 1 25 25 ASP HA H 25 4.483 4.483 4.400 0.083 25439 24963 1 34 . 1 1 25 25 ASP CA C 25 58.158 58.158 57.262 0.896 25439 24964 1 34 . 1 1 25 25 ASP CB C 25 40.329 40.329 40.387 -0.058 25439 24965 1 34 . 1 1 25 25 ASP H H 25 7.714 7.714 7.709 0.005 25439 24966 1 34 . 1 1 26 26 PHE N N 26 116.182 116.182 118.438 -2.256 25439 24967 1 34 . 1 1 26 26 PHE HA H 26 4.457 4.457 4.178 0.279 25439 24968 1 34 . 1 1 26 26 PHE CA C 26 62.531 62.531 61.872 0.659 25439 24969 1 34 . 1 1 26 26 PHE CB C 26 39.468 39.468 38.802 0.666 25439 24970 1 34 . 1 1 26 26 PHE H H 26 7.816 7.816 7.889 -0.073 25439 24971 1 34 . 1 1 27 27 GLU N N 27 120.107 120.107 118.398 1.709 25439 24972 1 34 . 1 1 27 27 GLU HA H 27 4.113 4.113 4.065 0.048 25439 24973 1 34 . 1 1 27 27 GLU CA C 27 59.852 59.852 59.669 0.183 25439 24974 1 34 . 1 1 27 27 GLU CB C 27 29.692 29.692 29.028 0.664 25439 24975 1 34 . 1 1 27 27 GLU H H 27 8.068 8.068 8.003 0.065 25439 24976 1 34 . 1 1 28 28 ILE N N 28 121.494 121.494 118.826 2.668 25439 24977 1 34 . 1 1 28 28 ILE HA H 28 3.718 3.718 3.879 -0.161 25439 24978 1 34 . 1 1 28 28 ILE CA C 28 65.002 65.002 64.462 0.540 25439 24979 1 34 . 1 1 28 28 ILE CB C 28 38.023 38.023 38.275 -0.252 25439 24980 1 34 . 1 1 28 28 ILE H H 28 8.531 8.531 7.665 0.866 25439 24981 1 34 . 1 1 29 29 GLN N N 29 118.941 118.941 119.998 -1.057 25439 24982 1 34 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.149 0.031 25439 24983 1 34 . 1 1 29 29 GLN CA C 29 59.507 59.507 58.904 0.603 25439 24984 1 34 . 1 1 29 29 GLN CB C 29 29.783 29.783 28.725 1.058 25439 24985 1 34 . 1 1 29 29 GLN H H 29 8.117 8.117 7.408 0.709 25439 24986 1 34 . 1 1 30 30 LEU N N 30 121.724 121.724 120.370 1.354 25439 24987 1 34 . 1 1 30 30 LEU HA H 30 4.032 4.032 4.151 -0.119 25439 24988 1 34 . 1 1 30 30 LEU CA C 30 58.333 58.333 57.788 0.545 25439 24989 1 34 . 1 1 30 30 LEU CB C 30 42.339 42.339 42.159 0.180 25439 24990 1 34 . 1 1 30 30 LEU H H 30 8.677 8.677 8.788 -0.111 25439 24991 1 34 . 1 1 31 31 ARG N N 31 120.629 120.629 118.794 1.835 25439 24992 1 34 . 1 1 31 31 ARG HA H 31 4.105 4.105 4.019 0.086 25439 24993 1 34 . 1 1 31 31 ARG CA C 31 59.340 59.340 59.489 -0.149 25439 24994 1 34 . 1 1 31 31 ARG CB C 31 30.044 30.044 29.369 0.675 25439 24995 1 34 . 1 1 31 31 ARG H H 31 8.227 8.227 8.043 0.184 25439 24996 1 34 . 1 1 32 32 ASP N N 32 120.233 120.233 121.297 -1.064 25439 24997 1 34 . 1 1 32 32 ASP HA H 32 4.484 4.484 4.367 0.117 25439 24998 1 34 . 1 1 32 32 ASP CA C 32 57.199 57.199 58.251 -1.052 25439 24999 1 34 . 1 1 32 32 ASP CB C 32 40.202 40.202 40.392 -0.190 25439 25000 1 34 . 1 1 32 32 ASP H H 32 8.407 8.407 7.755 0.652 25439 25001 1 34 . 1 1 33 33 ALA N N 33 121.939 121.939 121.966 -0.027 25439 25002 1 34 . 1 1 33 33 ALA HA H 33 4.321 4.321 4.091 0.230 25439 25003 1 34 . 1 1 33 33 ALA CA C 33 54.207 54.207 55.130 -0.923 25439 25004 1 34 . 1 1 33 33 ALA CB C 33 18.738 18.738 18.348 0.390 25439 25005 1 34 . 1 1 33 33 ALA H H 33 8.057 8.057 7.505 0.552 25439 25006 1 34 . 1 1 34 34 GLN N N 34 114.736 114.736 117.613 -2.877 25439 25007 1 34 . 1 1 34 34 GLN HA H 34 4.248 4.248 4.023 0.225 25439 25008 1 34 . 1 1 34 34 GLN CA C 34 56.567 56.567 59.008 -2.441 25439 25009 1 34 . 1 1 34 34 GLN CB C 34 29.743 29.743 28.530 1.213 25439 25010 1 34 . 1 1 34 34 GLN H H 34 7.746 7.746 8.233 -0.487 25439 25011 1 34 . 1 1 35 35 LYS N N 35 120.534 120.534 118.181 2.353 25439 25012 1 34 . 1 1 35 35 LYS HA H 35 4.232 4.232 4.223 0.009 25439 25013 1 34 . 1 1 35 35 LYS CA C 35 57.427 57.427 58.021 -0.594 25439 25014 1 34 . 1 1 35 35 LYS CB C 35 32.887 32.887 32.333 0.554 25439 25015 1 34 . 1 1 35 35 LYS H H 35 7.570 7.570 7.838 -0.268 25439 25016 1 34 . 1 1 36 36 ASP N N 36 120.943 120.943 120.321 0.622 25439 25017 1 34 . 1 1 36 36 ASP HA H 36 4.595 4.595 4.379 0.216 25439 25018 1 34 . 1 1 36 36 ASP CA C 36 54.983 54.983 57.003 -2.020 25439 25019 1 34 . 1 1 36 36 ASP CB C 36 41.129 41.129 40.967 0.162 25439 25020 1 34 . 1 1 36 36 ASP H H 36 8.375 8.375 8.389 -0.014 25439 25021 1 34 . 1 1 37 37 LYS N N 37 122.598 122.598 117.561 5.037 25439 25022 1 34 . 1 1 37 37 LYS HA H 37 4.365 4.365 4.183 0.182 25439 25023 1 34 . 1 1 37 37 LYS CA C 37 56.725 56.725 57.722 -0.997 25439 25024 1 34 . 1 1 37 37 LYS CB C 37 32.823 32.823 33.884 -1.061 25439 25025 1 34 . 1 1 37 37 LYS H H 37 8.446 8.446 7.895 0.551 25439 25026 1 34 . 1 1 38 38 SER N N 38 115.849 115.849 114.645 1.204 25439 25027 1 34 . 1 1 38 38 SER HA H 38 4.423 4.423 4.146 0.277 25439 25028 1 34 . 1 1 38 38 SER CA C 38 59.193 59.193 58.510 0.683 25439 25029 1 34 . 1 1 38 38 SER CB C 38 63.744 63.744 61.866 1.878 25439 25030 1 34 . 1 1 38 38 SER H H 38 8.392 8.392 7.800 0.592 25439 25031 1 34 . 1 1 39 39 SER N N 39 117.258 117.258 114.953 2.305 25439 25032 1 34 . 1 1 39 39 SER HA H 39 4.445 4.445 4.136 0.309 25439 25033 1 34 . 1 1 39 39 SER CA C 39 58.933 58.933 60.515 -1.582 25439 25034 1 34 . 1 1 39 39 SER CB C 39 63.711 63.711 63.875 -0.164 25439 25035 1 34 . 1 1 39 39 SER H H 39 8.283 8.283 8.532 -0.249 25439 25036 1 34 . 1 1 40 40 LYS N N 40 122.427 122.427 121.521 0.906 25439 25037 1 34 . 1 1 40 40 LYS HA H 40 4.321 4.321 4.271 0.050 25439 25038 1 34 . 1 1 40 40 LYS CA C 40 56.847 56.847 56.960 -0.113 25439 25039 1 34 . 1 1 40 40 LYS CB C 40 32.764 32.764 31.587 1.177 25439 25040 1 34 . 1 1 40 40 LYS H H 40 8.263 8.263 8.457 -0.194 25439 25041 1 34 . 1 1 41 41 LEU N N 41 121.281 121.281 122.999 -1.718 25439 25042 1 34 . 1 1 41 41 LEU HA H 41 4.308 4.308 4.490 -0.182 25439 25043 1 34 . 1 1 41 41 LEU CA C 41 55.335 55.335 55.350 -0.015 25439 25044 1 34 . 1 1 41 41 LEU CB C 41 42.212 42.212 43.210 -0.998 25439 25045 1 34 . 1 1 41 41 LEU H H 41 8.068 8.068 8.303 -0.235 25439 25046 1 34 . 1 1 42 42 ALA N N 42 123.964 123.964 121.586 2.378 25439 25047 1 34 . 1 1 42 42 ALA HA H 42 4.274 4.274 4.599 -0.325 25439 25048 1 34 . 1 1 42 42 ALA CA C 42 52.851 52.851 51.550 1.301 25439 25049 1 34 . 1 1 42 42 ALA CB C 42 19.135 19.135 20.123 -0.988 25439 25050 1 34 . 1 1 42 42 ALA H H 42 8.111 8.111 8.088 0.023 25439 25051 1 34 . 1 1 43 43 ALA N N 43 122.146 122.146 120.455 1.691 25439 25052 1 34 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.655 -0.358 25439 25053 1 34 . 1 1 43 43 ALA CA C 43 52.727 52.727 51.387 1.340 25439 25054 1 34 . 1 1 43 43 ALA CB C 43 19.318 19.318 19.777 -0.459 25439 25055 1 34 . 1 1 43 43 ALA H H 43 8.101 8.101 7.881 0.220 25439 25056 1 34 . 1 1 44 44 LYS N N 44 119.454 119.454 118.942 0.512 25439 25057 1 34 . 1 1 44 44 LYS HA H 44 4.349 4.349 3.939 0.410 25439 25058 1 34 . 1 1 44 44 LYS CA C 44 56.267 56.267 56.591 -0.324 25439 25059 1 34 . 1 1 44 44 LYS CB C 44 32.825 32.825 31.802 1.023 25439 25060 1 34 . 1 1 44 44 LYS H H 44 8.198 8.198 8.424 -0.226 25439 25061 1 34 . 1 1 45 45 SER N N 45 116.660 116.660 114.331 2.329 25439 25062 1 34 . 1 1 45 45 SER HA H 45 4.368 4.368 4.255 0.113 25439 25063 1 34 . 1 1 45 45 SER CA C 45 58.477 58.477 59.267 -0.790 25439 25064 1 34 . 1 1 45 45 SER CB C 45 64.063 64.063 63.457 0.606 25439 25065 1 34 . 1 1 45 45 SER H H 45 8.251 8.251 8.528 -0.277 25439 25066 1 34 . 1 1 46 46 ASN N N 46 120.516 120.516 120.017 0.499 25439 25067 1 34 . 1 1 46 46 ASN HA H 46 4.361 4.361 4.227 0.134 25439 25068 1 34 . 1 1 46 46 ASN CA C 46 54.657 54.657 56.173 -1.516 25439 25069 1 34 . 1 1 46 46 ASN CB C 46 37.649 37.649 37.835 -0.186 25439 25070 1 34 . 1 1 46 46 ASN H H 46 8.498 8.498 8.546 -0.048 25439 25071 1 34 . 1 1 47 47 GLU N N 47 117.964 117.964 117.108 0.856 25439 25072 1 34 . 1 1 47 47 GLU HA H 47 3.350 3.350 3.102 0.248 25439 25073 1 34 . 1 1 47 47 GLU CA C 47 59.213 59.213 59.321 -0.108 25439 25074 1 34 . 1 1 47 47 GLU CB C 47 28.998 28.998 28.927 0.071 25439 25075 1 34 . 1 1 47 47 GLU H H 47 8.016 8.016 8.163 -0.147 25439 25076 1 34 . 1 1 48 48 GLN N N 48 119.468 119.468 118.770 0.698 25439 25077 1 34 . 1 1 48 48 GLN HA H 48 4.250 4.250 4.069 0.181 25439 25078 1 34 . 1 1 48 48 GLN CA C 48 58.529 58.529 58.453 0.076 25439 25079 1 34 . 1 1 48 48 GLN CB C 48 28.902 28.902 28.129 0.773 25439 25080 1 34 . 1 1 48 48 GLN H H 48 7.892 7.892 7.398 0.494 25439 25081 1 34 . 1 1 49 49 LEU N N 49 120.145 120.145 120.531 -0.386 25439 25082 1 34 . 1 1 49 49 LEU HA H 49 4.232 4.232 4.035 0.197 25439 25083 1 34 . 1 1 49 49 LEU CA C 49 57.479 57.479 57.851 -0.372 25439 25084 1 34 . 1 1 49 49 LEU CB C 49 41.391 41.391 41.865 -0.474 25439 25085 1 34 . 1 1 49 49 LEU H H 49 7.699 7.699 7.970 -0.271 25439 25086 1 34 . 1 1 50 50 TRP N N 50 119.596 119.596 119.355 0.241 25439 25087 1 34 . 1 1 50 50 TRP HA H 50 4.520 4.520 4.377 0.143 25439 25088 1 34 . 1 1 50 50 TRP CA C 50 58.353 58.353 58.689 -0.336 25439 25089 1 34 . 1 1 50 50 TRP CB C 50 28.880 28.880 28.072 0.808 25439 25090 1 34 . 1 1 50 50 TRP H H 50 8.385 8.385 8.386 -0.001 25439 25091 1 34 . 1 1 51 51 GLU N N 51 119.362 119.362 118.502 0.860 25439 25092 1 34 . 1 1 51 51 GLU HA H 51 4.145 4.145 4.084 0.061 25439 25093 1 34 . 1 1 51 51 GLU CA C 51 60.035 60.035 59.640 0.395 25439 25094 1 34 . 1 1 51 51 GLU CB C 51 29.675 29.675 29.371 0.304 25439 25095 1 34 . 1 1 51 51 GLU H H 51 8.223 8.223 7.800 0.423 25439 25096 1 34 . 1 1 52 52 ILE N N 52 119.018 119.018 119.959 -0.941 25439 25097 1 34 . 1 1 52 52 ILE HA H 52 3.673 3.673 3.735 -0.062 25439 25098 1 34 . 1 1 52 52 ILE CA C 52 65.511 65.511 65.172 0.339 25439 25099 1 34 . 1 1 52 52 ILE CB C 52 38.532 38.532 38.073 0.459 25439 25100 1 34 . 1 1 52 52 ILE H H 52 7.801 7.801 7.246 0.555 25439 25101 1 34 . 1 1 53 53 MET N N 53 118.133 118.133 117.322 0.811 25439 25102 1 34 . 1 1 53 53 MET HA H 53 4.452 4.452 4.091 0.361 25439 25103 1 34 . 1 1 53 53 MET CA C 53 58.216 58.216 58.721 -0.505 25439 25104 1 34 . 1 1 53 53 MET CB C 53 31.838 31.838 31.958 -0.120 25439 25105 1 34 . 1 1 53 53 MET H H 53 8.411 8.411 8.139 0.272 25439 25106 1 34 . 1 1 54 54 GLN N N 54 120.855 120.855 119.362 1.493 25439 25107 1 34 . 1 1 54 54 GLN HA H 54 4.333 4.333 3.977 0.356 25439 25108 1 34 . 1 1 54 54 GLN CA C 54 59.004 59.004 58.466 0.538 25439 25109 1 34 . 1 1 54 54 GLN CB C 54 27.824 27.824 28.924 -1.100 25439 25110 1 34 . 1 1 54 54 GLN H H 54 8.860 8.860 8.495 0.365 25439 25111 1 34 . 1 1 55 55 LEU N N 55 122.788 122.788 119.714 3.074 25439 25112 1 34 . 1 1 55 55 LEU HA H 55 4.302 4.302 4.153 0.149 25439 25113 1 34 . 1 1 55 55 LEU CA C 55 58.685 58.685 57.976 0.709 25439 25114 1 34 . 1 1 55 55 LEU CB C 55 42.695 42.695 41.871 0.824 25439 25115 1 34 . 1 1 55 55 LEU H H 55 8.298 8.298 8.060 0.238 25439 25116 1 34 . 1 1 56 56 HIS N N 56 118.426 118.426 117.995 0.431 25439 25117 1 34 . 1 1 56 56 HIS HA H 56 4.317 4.317 4.202 0.115 25439 25118 1 34 . 1 1 56 56 HIS CA C 56 60.732 60.732 60.169 0.563 25439 25119 1 34 . 1 1 56 56 HIS CB C 56 30.530 30.530 29.629 0.901 25439 25120 1 34 . 1 1 56 56 HIS H H 56 8.416 8.416 7.802 0.614 25439 25121 1 34 . 1 1 57 57 HIS N N 57 121.197 121.197 119.231 1.966 25439 25122 1 34 . 1 1 57 57 HIS HA H 57 4.318 4.318 4.549 -0.231 25439 25123 1 34 . 1 1 57 57 HIS CA C 57 60.739 60.739 58.791 1.948 25439 25124 1 34 . 1 1 57 57 HIS CB C 57 28.726 28.726 30.160 -1.434 25439 25125 1 34 . 1 1 57 57 HIS H H 57 8.608 8.608 8.249 0.359 25439 25126 1 34 . 1 1 58 58 GLN N N 58 118.739 118.739 118.707 0.032 25439 25127 1 34 . 1 1 58 58 GLN HA H 58 4.202 4.202 4.152 0.050 25439 25128 1 34 . 1 1 58 58 GLN CA C 58 59.507 59.507 59.520 -0.013 25439 25129 1 34 . 1 1 58 58 GLN CB C 58 29.111 29.111 28.603 0.508 25439 25130 1 34 . 1 1 58 58 GLN H H 58 9.206 9.206 8.301 0.905 25439 25131 1 34 . 1 1 59 59 ARG N N 59 122.498 122.498 120.127 2.371 25439 25132 1 34 . 1 1 59 59 ARG HA H 59 3.437 3.437 3.620 -0.183 25439 25133 1 34 . 1 1 59 59 ARG CA C 59 60.361 60.361 59.939 0.422 25439 25134 1 34 . 1 1 59 59 ARG H H 59 8.623 8.623 8.339 0.284 25439 25135 1 34 . 1 1 60 60 SER N N 60 114.930 114.930 115.149 -0.219 25439 25136 1 34 . 1 1 60 60 SER HA H 60 4.515 4.515 4.270 0.245 25439 25137 1 34 . 1 1 60 60 SER CA C 60 64.832 64.832 62.056 2.776 25439 25138 1 34 . 1 1 60 60 SER CB C 60 63.583 63.583 62.927 0.656 25439 25139 1 34 . 1 1 60 60 SER H H 60 7.993 7.993 8.395 -0.402 25439 25140 1 34 . 1 1 61 61 ARG N N 61 124.417 124.417 122.822 1.595 25439 25141 1 34 . 1 1 61 61 ARG HA H 61 4.204 4.204 4.031 0.173 25439 25142 1 34 . 1 1 61 61 ARG CA C 61 58.852 58.852 59.644 -0.792 25439 25143 1 34 . 1 1 61 61 ARG CB C 61 29.077 29.077 30.244 -1.167 25439 25144 1 34 . 1 1 61 61 ARG H H 61 9.569 9.569 8.422 1.147 25439 25145 1 34 . 1 1 62 62 TYR N N 62 124.484 124.484 121.205 3.279 25439 25146 1 34 . 1 1 62 62 TYR HA H 62 4.676 4.676 4.286 0.390 25439 25147 1 34 . 1 1 62 62 TYR CA C 62 61.006 61.006 62.006 -1.000 25439 25148 1 34 . 1 1 62 62 TYR CB C 62 38.392 38.392 38.748 -0.356 25439 25149 1 34 . 1 1 62 62 TYR H H 62 8.622 8.622 8.431 0.191 25439 25150 1 34 . 1 1 63 63 ILE N N 63 119.789 119.789 118.950 0.839 25439 25151 1 34 . 1 1 63 63 ILE HA H 63 3.492 3.492 3.674 -0.182 25439 25152 1 34 . 1 1 63 63 ILE CA C 63 65.693 65.693 65.529 0.164 25439 25153 1 34 . 1 1 63 63 ILE CB C 63 38.023 38.023 38.159 -0.136 25439 25154 1 34 . 1 1 63 63 ILE H H 63 7.588 7.588 8.511 -0.923 25439 25155 1 34 . 1 1 64 64 TYR N N 64 120.485 120.485 121.492 -1.007 25439 25156 1 34 . 1 1 64 64 TYR HA H 64 4.577 4.577 4.230 0.347 25439 25157 1 34 . 1 1 64 64 TYR CA C 64 61.759 61.759 62.665 -0.906 25439 25158 1 34 . 1 1 64 64 TYR CB C 64 39.772 39.772 38.530 1.242 25439 25159 1 34 . 1 1 64 64 TYR H H 64 9.166 9.166 9.104 0.062 25439 25160 1 34 . 1 1 65 65 THR N N 65 117.072 117.072 117.591 -0.519 25439 25161 1 34 . 1 1 65 65 THR HA H 65 3.562 3.562 4.015 -0.453 25439 25162 1 34 . 1 1 65 65 THR CA C 65 67.016 67.016 68.275 -1.259 25439 25163 1 34 . 1 1 65 65 THR CB C 65 68.711 68.711 68.686 0.025 25439 25164 1 34 . 1 1 65 65 THR H H 65 8.987 8.987 8.842 0.145 25439 25165 1 34 . 1 1 66 66 LEU N N 66 122.107 122.107 120.366 1.741 25439 25166 1 34 . 1 1 66 66 LEU HA H 66 3.782 3.782 4.277 -0.495 25439 25167 1 34 . 1 1 66 66 LEU CA C 66 58.476 58.476 58.117 0.360 25439 25168 1 34 . 1 1 66 66 LEU CB C 66 43.183 43.183 40.990 2.193 25439 25169 1 34 . 1 1 66 66 LEU H H 66 8.286 8.286 7.615 0.671 25439 25170 1 34 . 1 1 67 67 TYR N N 67 115.264 115.264 119.431 -4.167 25439 25171 1 34 . 1 1 67 67 TYR HA H 67 4.344 4.344 4.058 0.286 25439 25172 1 34 . 1 1 67 67 TYR CA C 67 60.830 60.830 61.424 -0.594 25439 25173 1 34 . 1 1 67 67 TYR CB C 67 40.376 40.376 39.429 0.946 25439 25174 1 34 . 1 1 67 67 TYR H H 67 7.983 7.983 7.987 -0.004 25439 25175 1 34 . 1 1 68 68 TYR N N 68 113.945 113.945 115.526 -1.581 25439 25176 1 34 . 1 1 68 68 TYR HA H 68 3.699 3.699 4.253 -0.554 25439 25177 1 34 . 1 1 68 68 TYR CA C 68 62.030 62.030 59.818 2.212 25439 25178 1 34 . 1 1 68 68 TYR CB C 68 38.046 38.046 38.635 -0.589 25439 25179 1 34 . 1 1 68 68 TYR H H 68 8.297 8.297 8.261 0.036 25439 25180 1 34 . 1 1 69 69 LYS N N 69 114.346 114.346 117.375 -3.029 25439 25181 1 34 . 1 1 69 69 LYS HA H 69 4.564 4.564 4.449 0.115 25439 25182 1 34 . 1 1 69 69 LYS CA C 69 56.821 56.821 57.125 -0.304 25439 25183 1 34 . 1 1 69 69 LYS CB C 69 31.980 31.980 33.787 -1.807 25439 25184 1 34 . 1 1 69 69 LYS H H 69 7.084 7.084 7.575 -0.491 25439 25185 1 34 . 1 1 70 70 ARG N N 70 114.676 114.676 118.494 -3.818 25439 25186 1 34 . 1 1 70 70 ARG HA H 70 4.251 4.251 4.199 0.052 25439 25187 1 34 . 1 1 70 70 ARG CA C 70 56.314 56.314 57.038 -0.724 25439 25188 1 34 . 1 1 70 70 ARG CB C 70 31.128 31.128 30.857 0.271 25439 25189 1 34 . 1 1 70 70 ARG H H 70 8.178 8.178 7.924 0.254 25439 25190 1 34 . 1 1 71 71 LYS N N 71 115.371 115.371 116.119 -0.748 25439 25191 1 34 . 1 1 71 71 LYS HA H 71 4.036 4.036 3.765 0.271 25439 25192 1 34 . 1 1 71 71 LYS CA C 71 57.121 57.121 56.977 0.144 25439 25193 1 34 . 1 1 71 71 LYS CB C 71 28.897 28.897 30.270 -1.373 25439 25194 1 34 . 1 1 71 71 LYS H H 71 6.843 6.843 7.794 -0.951 25439 25195 1 34 . 1 1 72 72 ALA N N 72 117.701 117.701 121.500 -3.799 25439 25196 1 34 . 1 1 72 72 ALA HA H 72 4.395 4.395 4.409 -0.014 25439 25197 1 34 . 1 1 72 72 ALA CA C 72 52.597 52.597 51.847 0.750 25439 25198 1 34 . 1 1 72 72 ALA CB C 72 21.560 21.560 19.682 1.878 25439 25199 1 34 . 1 1 72 72 ALA H H 72 8.560 8.560 7.586 0.974 25439 25200 1 34 . 1 1 73 73 ILE N N 73 107.605 107.605 117.664 -10.059 25439 25201 1 34 . 1 1 73 73 ILE CB C 73 42.724 42.724 40.865 1.859 25439 25202 1 34 . 1 1 73 73 ILE H H 73 7.074 7.074 7.369 -0.295 25439 25203 1 34 . 1 1 74 74 SER N N 74 118.425 118.425 117.166 1.259 25439 25204 1 34 . 1 1 74 74 SER HA H 74 4.484 4.484 4.859 -0.375 25439 25205 1 34 . 1 1 74 74 SER CA C 74 57.082 57.082 57.126 -0.044 25439 25206 1 34 . 1 1 74 74 SER CB C 74 65.396 65.396 64.840 0.556 25439 25207 1 34 . 1 1 74 74 SER H H 74 8.797 8.797 8.386 0.411 25439 25208 1 34 . 1 1 75 75 LYS N N 75 121.891 121.891 125.378 -3.487 25439 25209 1 34 . 1 1 75 75 LYS HA H 75 3.851 3.851 4.198 -0.347 25439 25210 1 34 . 1 1 75 75 LYS CA C 75 59.624 59.624 60.221 -0.597 25439 25211 1 34 . 1 1 75 75 LYS CB C 75 32.368 32.368 32.491 -0.123 25439 25212 1 34 . 1 1 75 75 LYS H H 75 9.024 9.024 9.102 -0.078 25439 25213 1 34 . 1 1 76 76 ASP N N 76 115.908 115.908 119.172 -3.264 25439 25214 1 34 . 1 1 76 76 ASP HA H 76 4.423 4.423 4.424 -0.001 25439 25215 1 34 . 1 1 76 76 ASP CA C 76 57.362 57.362 57.309 0.053 25439 25216 1 34 . 1 1 76 76 ASP CB C 76 40.391 40.391 40.251 0.140 25439 25217 1 34 . 1 1 76 76 ASP H H 76 8.161 8.161 8.536 -0.375 25439 25218 1 34 . 1 1 77 77 LEU N N 77 121.705 121.705 121.492 0.213 25439 25219 1 34 . 1 1 77 77 LEU HA H 77 4.180 4.180 4.157 0.023 25439 25220 1 34 . 1 1 77 77 LEU CA C 77 57.818 57.818 57.826 -0.008 25439 25221 1 34 . 1 1 77 77 LEU H H 77 8.345 8.345 7.797 0.548 25439 25222 1 34 . 1 1 78 78 TYR N N 78 121.511 121.511 120.364 1.147 25439 25223 1 34 . 1 1 78 78 TYR HA H 78 3.789 3.789 4.063 -0.274 25439 25224 1 34 . 1 1 78 78 TYR CA C 78 62.857 62.857 60.629 2.228 25439 25225 1 34 . 1 1 78 78 TYR CB C 78 38.369 38.369 37.946 0.423 25439 25226 1 34 . 1 1 78 78 TYR H H 78 8.598 8.598 8.693 -0.095 25439 25227 1 34 . 1 1 79 79 ASP N N 79 117.189 117.189 119.687 -2.498 25439 25228 1 34 . 1 1 79 79 ASP HA H 79 4.066 4.066 3.991 0.075 25439 25229 1 34 . 1 1 79 79 ASP CA C 79 57.219 57.219 57.612 -0.393 25439 25230 1 34 . 1 1 79 79 ASP CB C 79 40.003 40.003 40.852 -0.849 25439 25231 1 34 . 1 1 79 79 ASP H H 79 9.106 9.106 8.628 0.478 25439 25232 1 34 . 1 1 80 80 TRP N N 80 123.400 123.400 122.446 0.954 25439 25233 1 34 . 1 1 80 80 TRP HA H 80 4.160 4.160 4.115 0.045 25439 25234 1 34 . 1 1 80 80 TRP CA C 80 62.368 62.368 61.409 0.959 25439 25235 1 34 . 1 1 80 80 TRP CB C 80 29.969 29.969 29.396 0.573 25439 25236 1 34 . 1 1 80 80 TRP H H 80 7.931 7.931 8.566 -0.635 25439 25237 1 34 . 1 1 81 81 LEU N N 81 119.674 119.674 118.788 0.886 25439 25238 1 34 . 1 1 81 81 LEU HA H 81 3.971 3.971 2.538 1.433 25439 25239 1 34 . 1 1 81 81 LEU CA C 81 58.294 58.294 57.608 0.686 25439 25240 1 34 . 1 1 81 81 LEU CB C 81 41.818 41.818 41.565 0.254 25439 25241 1 34 . 1 1 81 81 LEU H H 81 8.814 8.814 7.768 1.046 25439 25242 1 34 . 1 1 82 82 ILE N N 82 118.746 118.746 119.019 -0.273 25439 25243 1 34 . 1 1 82 82 ILE HA H 82 3.861 3.861 3.829 0.032 25439 25244 1 34 . 1 1 82 82 ILE CA C 82 62.734 62.734 64.877 -2.143 25439 25245 1 34 . 1 1 82 82 ILE CB C 82 36.236 36.236 37.739 -1.503 25439 25246 1 34 . 1 1 82 82 ILE H H 82 7.886 7.886 7.585 0.301 25439 25247 1 34 . 1 1 83 83 LYS N N 83 124.819 124.819 119.911 4.908 25439 25248 1 34 . 1 1 83 83 LYS HA H 83 3.911 3.911 4.065 -0.154 25439 25249 1 34 . 1 1 83 83 LYS CA C 83 59.643 59.643 57.963 1.680 25439 25250 1 34 . 1 1 83 83 LYS CB C 83 32.027 32.027 32.504 -0.477 25439 25251 1 34 . 1 1 83 83 LYS H H 83 8.224 8.224 8.077 0.147 25439 25252 1 34 . 1 1 84 84 GLU N N 84 115.404 115.404 117.798 -2.394 25439 25253 1 34 . 1 1 84 84 GLU HA H 84 3.841 3.841 4.335 -0.494 25439 25254 1 34 . 1 1 84 84 GLU CA C 84 55.582 55.582 54.870 0.712 25439 25255 1 34 . 1 1 84 84 GLU CB C 84 29.459 29.459 28.722 0.737 25439 25256 1 34 . 1 1 84 84 GLU H H 84 8.138 8.138 7.279 0.859 25439 25257 1 34 . 1 1 85 85 LYS N N 85 111.563 111.563 118.593 -7.030 25439 25258 1 34 . 1 1 85 85 LYS HA H 85 3.820 3.820 4.002 -0.182 25439 25259 1 34 . 1 1 85 85 LYS CA C 85 57.890 57.890 57.143 0.747 25439 25260 1 34 . 1 1 85 85 LYS CB C 85 28.005 28.005 30.991 -2.986 25439 25261 1 34 . 1 1 85 85 LYS H H 85 7.719 7.719 7.559 0.160 25439 25262 1 34 . 1 1 86 86 TYR N N 86 116.916 116.916 119.190 -2.274 25439 25263 1 34 . 1 1 86 86 TYR HA H 86 4.137 4.137 4.487 -0.350 25439 25264 1 34 . 1 1 86 86 TYR CA C 86 61.228 61.228 59.217 2.011 25439 25265 1 34 . 1 1 86 86 TYR CB C 86 39.535 39.535 40.283 -0.748 25439 25266 1 34 . 1 1 86 86 TYR H H 86 8.521 8.521 7.921 0.600 25439 25267 1 34 . 1 1 87 87 ALA N N 87 113.715 113.715 117.829 -4.114 25439 25268 1 34 . 1 1 87 87 ALA HA H 87 4.738 4.738 4.400 0.338 25439 25269 1 34 . 1 1 87 87 ALA CA C 87 49.121 49.121 50.438 -1.317 25439 25270 1 34 . 1 1 87 87 ALA CB C 87 23.295 23.295 21.850 1.445 25439 25271 1 34 . 1 1 87 87 ALA H H 87 6.959 6.959 7.926 -0.967 25439 25272 1 34 . 1 1 88 88 ASP N N 88 119.344 119.344 120.072 -0.728 25439 25273 1 34 . 1 1 88 88 ASP HA H 88 4.544 4.544 4.933 -0.389 25439 25274 1 34 . 1 1 88 88 ASP CA C 88 52.714 52.714 53.057 -0.343 25439 25275 1 34 . 1 1 88 88 ASP CB C 88 41.845 41.845 42.769 -0.923 25439 25276 1 34 . 1 1 88 88 ASP H H 88 7.870 7.870 8.739 -0.869 25439 25277 1 34 . 1 1 89 89 LYS N N 89 125.312 125.312 126.348 -1.036 25439 25278 1 34 . 1 1 89 89 LYS HA H 89 3.834 3.834 4.080 -0.246 25439 25279 1 34 . 1 1 89 89 LYS CA C 89 59.409 59.409 59.809 -0.400 25439 25280 1 34 . 1 1 89 89 LYS CB C 89 32.848 32.848 32.517 0.331 25439 25281 1 34 . 1 1 89 89 LYS H H 89 8.467 8.467 8.755 -0.288 25439 25282 1 34 . 1 1 90 90 LEU N N 90 119.899 119.899 120.474 -0.575 25439 25283 1 34 . 1 1 90 90 LEU HA H 90 4.023 4.023 4.036 -0.013 25439 25284 1 34 . 1 1 90 90 LEU CA C 90 57.049 57.049 57.975 -0.926 25439 25285 1 34 . 1 1 90 90 LEU CB C 90 41.099 41.099 41.697 -0.598 25439 25286 1 34 . 1 1 90 90 LEU H H 90 8.076 8.076 7.951 0.125 25439 25287 1 34 . 1 1 91 91 LEU N N 91 123.148 123.148 120.355 2.793 25439 25288 1 34 . 1 1 91 91 LEU HA H 91 3.498 3.498 3.772 -0.274 25439 25289 1 34 . 1 1 91 91 LEU CA C 91 56.971 56.971 57.808 -0.837 25439 25290 1 34 . 1 1 91 91 LEU CB C 91 41.823 41.823 41.655 0.168 25439 25291 1 34 . 1 1 91 91 LEU H H 91 7.120 7.120 7.782 -0.662 25439 25292 1 34 . 1 1 92 92 ILE N N 92 116.780 116.780 118.634 -1.854 25439 25293 1 34 . 1 1 92 92 ILE HA H 92 3.265 3.265 3.884 -0.619 25439 25294 1 34 . 1 1 92 92 ILE CA C 92 65.178 65.178 65.543 -0.365 25439 25295 1 34 . 1 1 92 92 ILE CB C 92 38.209 38.209 37.828 0.381 25439 25296 1 34 . 1 1 92 92 ILE H H 92 7.384 7.384 7.803 -0.419 25439 25297 1 34 . 1 1 93 93 ALA N N 93 117.061 117.061 122.242 -5.181 25439 25298 1 34 . 1 1 93 93 ALA HA H 93 3.930 3.930 4.071 -0.141 25439 25299 1 34 . 1 1 93 93 ALA CA C 93 54.839 54.839 55.509 -0.670 25439 25300 1 34 . 1 1 93 93 ALA CB C 93 18.125 18.125 18.202 -0.077 25439 25301 1 34 . 1 1 93 93 ALA H H 93 7.437 7.437 8.685 -1.248 25439 25302 1 34 . 1 1 94 94 LYS N N 94 116.036 116.036 119.149 -3.113 25439 25303 1 34 . 1 1 94 94 LYS HA H 94 3.803 3.803 3.735 0.068 25439 25304 1 34 . 1 1 94 94 LYS CA C 94 56.945 56.945 58.696 -1.751 25439 25305 1 34 . 1 1 94 94 LYS CB C 94 31.047 31.047 31.669 -0.622 25439 25306 1 34 . 1 1 94 94 LYS H H 94 7.012 7.012 7.841 -0.829 25439 25307 1 34 . 1 1 95 95 TRP N N 95 118.700 118.700 116.867 1.833 25439 25308 1 34 . 1 1 95 95 TRP HA H 95 4.814 4.814 4.511 0.303 25439 25309 1 34 . 1 1 95 95 TRP CA C 95 57.136 57.136 59.513 -2.377 25439 25310 1 34 . 1 1 95 95 TRP CB C 95 28.171 28.171 28.996 -0.825 25439 25311 1 34 . 1 1 95 95 TRP H H 95 7.611 7.611 7.589 0.022 25439 25312 1 34 . 1 1 96 96 ARG N N 96 113.031 113.031 116.471 -3.440 25439 25313 1 34 . 1 1 96 96 ARG HA H 96 4.233 4.233 4.385 -0.152 25439 25314 1 34 . 1 1 96 96 ARG CA C 96 56.234 56.234 56.893 -0.659 25439 25315 1 34 . 1 1 96 96 ARG CB C 96 30.245 30.245 30.398 -0.153 25439 25316 1 34 . 1 1 96 96 ARG H H 96 7.066 7.066 7.348 -0.282 25439 25317 1 34 . 1 1 97 97 LYS N N 97 123.252 123.252 120.103 3.149 25439 25318 1 34 . 1 1 97 97 LYS HA H 97 4.634 4.634 4.238 0.396 25439 25319 1 34 . 1 1 97 97 LYS CA C 97 54.937 54.937 57.193 -2.256 25439 25320 1 34 . 1 1 97 97 LYS CB C 97 34.166 34.166 33.001 1.165 25439 25321 1 34 . 1 1 97 97 LYS H H 97 8.467 8.467 8.262 0.205 25439 25322 1 34 . 1 1 98 98 THR N N 98 119.993 119.993 114.090 5.903 25439 25323 1 34 . 1 1 98 98 THR HA H 98 4.224 4.224 4.469 -0.245 25439 25324 1 34 . 1 1 98 98 THR CA C 98 64.670 64.670 61.687 2.983 25439 25325 1 34 . 1 1 98 98 THR CB C 98 69.200 69.200 69.354 -0.154 25439 25326 1 34 . 1 1 98 98 THR H H 98 8.329 8.329 8.108 0.221 25439 25327 1 34 . 1 1 99 99 GLY N N 99 116.645 116.645 113.165 3.480 25439 25328 1 34 . 1 1 99 99 GLY CA C 99 45.047 45.047 44.932 0.115 25439 25329 1 34 . 1 1 99 99 GLY H H 99 9.273 9.273 8.673 0.600 25439 25330 1 34 . 1 1 100 100 TYR N N 100 120.784 120.784 121.483 -0.699 25439 25331 1 34 . 1 1 100 100 TYR HA H 100 4.704 4.704 4.648 0.056 25439 25332 1 34 . 1 1 100 100 TYR CA C 100 57.697 57.697 56.402 1.295 25439 25333 1 34 . 1 1 100 100 TYR CB C 100 39.413 39.413 36.102 3.311 25439 25334 1 34 . 1 1 100 100 TYR H H 100 8.457 8.457 8.015 0.442 25439 25335 1 34 . 1 1 101 101 GLU N N 101 119.482 119.482 121.509 -2.027 25439 25336 1 34 . 1 1 101 101 GLU HA H 101 4.601 4.601 4.253 0.348 25439 25337 1 34 . 1 1 101 101 GLU CA C 101 61.207 61.207 58.410 2.797 25439 25338 1 34 . 1 1 101 101 GLU CB C 101 29.648 29.648 30.198 -0.550 25439 25339 1 34 . 1 1 101 101 GLU H H 101 9.836 9.836 7.919 1.917 25439 25340 1 34 . 1 1 102 102 LYS N N 102 115.179 115.179 120.160 -4.981 25439 25341 1 34 . 1 1 102 102 LYS HA H 102 4.295 4.295 4.599 -0.304 25439 25342 1 34 . 1 1 102 102 LYS CA C 102 54.207 54.207 55.233 -1.026 25439 25343 1 34 . 1 1 102 102 LYS CB C 102 32.489 32.489 32.651 -0.162 25439 25344 1 34 . 1 1 102 102 LYS H H 102 8.291 8.291 7.905 0.386 25439 25345 1 34 . 1 1 103 103 LEU N N 103 119.637 119.637 120.002 -0.365 25439 25346 1 34 . 1 1 103 103 LEU HA H 103 4.385 4.385 4.933 -0.548 25439 25347 1 34 . 1 1 103 103 LEU CA C 103 56.549 56.549 54.174 2.375 25439 25348 1 34 . 1 1 103 103 LEU CB C 103 43.864 43.864 44.232 -0.368 25439 25349 1 34 . 1 1 103 103 LEU H H 103 7.642 7.642 8.058 -0.416 25439 25350 1 34 . 1 1 104 104 CYS N N 104 129.651 129.651 118.191 11.460 25439 25351 1 34 . 1 1 104 104 CYS HA H 104 4.498 4.498 5.113 -0.615 25439 25352 1 34 . 1 1 104 104 CYS CA C 104 58.076 58.076 58.504 -0.428 25439 25353 1 34 . 1 1 104 104 CYS CB C 104 32.301 32.301 28.194 4.107 25439 25354 1 34 . 1 1 104 104 CYS H H 104 8.638 8.638 8.928 -0.290 25439 25355 1 34 . 1 1 105 105 CYS N N 105 120.206 120.206 117.832 2.374 25439 25356 1 34 . 1 1 105 105 CYS HA H 105 4.806 4.806 4.773 0.033 25439 25357 1 34 . 1 1 105 105 CYS CA C 105 58.271 58.271 57.023 1.248 25439 25358 1 34 . 1 1 105 105 CYS CB C 105 32.062 32.062 30.069 1.993 25439 25359 1 34 . 1 1 105 105 CYS H H 105 8.158 8.158 7.859 0.299 25439 25360 1 34 . 1 1 106 106 LEU N N 106 115.513 115.513 121.013 -5.500 25439 25361 1 34 . 1 1 106 106 LEU HA H 106 4.054 4.054 4.219 -0.165 25439 25362 1 34 . 1 1 106 106 LEU CA C 106 56.110 56.110 56.504 -0.394 25439 25363 1 34 . 1 1 106 106 LEU CB C 106 41.227 41.227 42.392 -1.165 25439 25364 1 34 . 1 1 106 106 LEU H H 106 8.466 8.466 8.168 0.298 25439 25365 1 34 . 1 1 107 107 ARG N N 107 122.711 122.711 118.901 3.810 25439 25366 1 34 . 1 1 107 107 ARG HA H 107 3.993 3.993 4.349 -0.356 25439 25367 1 34 . 1 1 107 107 ARG CA C 107 58.311 58.311 56.409 1.902 25439 25368 1 34 . 1 1 107 107 ARG CB C 107 28.965 28.965 29.077 -0.112 25439 25369 1 34 . 1 1 107 107 ARG H H 107 8.131 8.131 8.136 -0.005 25439 25370 1 34 . 1 1 108 108 CYS N N 108 119.055 119.055 116.690 2.365 25439 25371 1 34 . 1 1 108 108 CYS HA H 108 4.101 4.101 4.727 -0.626 25439 25372 1 34 . 1 1 108 108 CYS CA C 108 63.936 63.936 59.093 4.843 25439 25373 1 34 . 1 1 108 108 CYS CB C 108 30.934 30.934 29.989 0.945 25439 25374 1 34 . 1 1 108 108 CYS H H 108 8.010 8.010 8.132 -0.122 25439 25375 1 34 . 1 1 109 109 ILE N N 109 107.315 107.315 117.649 -10.334 25439 25376 1 34 . 1 1 109 109 ILE HA H 109 4.684 4.684 4.000 0.684 25439 25377 1 34 . 1 1 109 109 ILE CA C 109 60.483 60.483 63.431 -2.948 25439 25378 1 34 . 1 1 109 109 ILE CB C 109 38.320 38.320 38.040 0.280 25439 25379 1 34 . 1 1 109 109 ILE H H 109 7.105 7.105 7.883 -0.778 25439 25380 1 34 . 1 1 110 110 GLN N N 110 122.468 122.468 118.285 4.183 25439 25381 1 34 . 1 1 110 110 GLN HA H 110 4.268 4.268 4.510 -0.242 25439 25382 1 34 . 1 1 110 110 GLN CA C 110 55.981 55.981 54.507 1.474 25439 25383 1 34 . 1 1 110 110 GLN CB C 110 29.656 29.656 32.130 -2.474 25439 25384 1 34 . 1 1 110 110 GLN H H 110 7.156 7.156 7.638 -0.482 25439 25385 1 34 . 1 1 111 111 LYS N N 111 124.650 124.650 120.948 3.702 25439 25386 1 34 . 1 1 111 111 LYS HA H 111 4.246 4.246 4.521 -0.275 25439 25387 1 34 . 1 1 111 111 LYS CA C 111 56.546 56.546 55.561 0.985 25439 25388 1 34 . 1 1 111 111 LYS CB C 111 32.846 32.846 33.557 -0.711 25439 25389 1 34 . 1 1 111 111 LYS H H 111 8.522 8.522 8.516 0.006 25439 25390 1 34 . 1 1 112 112 ASN N N 112 120.972 120.972 119.530 1.442 25439 25391 1 34 . 1 1 112 112 ASN HA H 112 4.778 4.778 4.885 -0.107 25439 25392 1 34 . 1 1 112 112 ASN CA C 112 52.902 52.902 53.314 -0.412 25439 25393 1 34 . 1 1 112 112 ASN CB C 112 39.328 39.328 39.152 0.176 25439 25394 1 34 . 1 1 112 112 ASN H H 112 8.360 8.360 8.434 -0.074 25439 25395 1 34 . 1 1 113 113 GLU N N 113 121.710 121.710 121.011 0.699 25439 25396 1 34 . 1 1 113 113 GLU HA H 113 4.248 4.248 4.647 -0.399 25439 25397 1 34 . 1 1 113 113 GLU CA C 113 58.611 58.611 55.507 3.104 25439 25398 1 34 . 1 1 113 113 GLU CB C 113 29.590 29.590 31.522 -1.932 25439 25399 1 34 . 1 1 113 113 GLU H H 113 9.023 9.023 8.052 0.971 25439 25400 1 34 . 1 1 114 114 THR N N 114 112.186 112.186 114.883 -2.697 25439 25401 1 34 . 1 1 114 114 THR HA H 114 4.321 4.321 4.643 -0.322 25439 25402 1 34 . 1 1 114 114 THR CA C 114 63.161 63.161 61.819 1.341 25439 25403 1 34 . 1 1 114 114 THR CB C 114 69.481 69.481 68.530 0.951 25439 25404 1 34 . 1 1 114 114 THR H H 114 8.112 8.112 8.378 -0.266 25439 25405 1 34 . 1 1 115 115 ASN N N 115 119.112 119.112 120.722 -1.610 25439 25406 1 34 . 1 1 115 115 ASN HA H 115 4.829 4.829 4.855 -0.026 25439 25407 1 34 . 1 1 115 115 ASN CA C 115 53.110 53.110 53.705 -0.595 25439 25408 1 34 . 1 1 115 115 ASN CB C 115 38.659 38.659 39.983 -1.323 25439 25409 1 34 . 1 1 115 115 ASN H H 115 8.047 8.047 8.737 -0.690 25439 25410 1 34 . 1 1 116 116 ASN N N 116 117.175 117.175 116.349 0.826 25439 25411 1 34 . 1 1 116 116 ASN HA H 116 4.615 4.615 4.857 -0.242 25439 25412 1 34 . 1 1 116 116 ASN CA C 116 53.965 53.965 52.537 1.428 25439 25413 1 34 . 1 1 116 116 ASN CB C 116 38.173 38.173 40.689 -2.516 25439 25414 1 34 . 1 1 116 116 ASN H H 116 8.364 8.364 8.261 0.103 25439 25415 1 34 . 1 1 117 117 GLY N N 117 107.294 107.294 108.901 -1.607 25439 25416 1 34 . 1 1 117 117 GLY CA C 117 45.882 45.882 45.555 0.327 25439 25417 1 34 . 1 1 117 117 GLY H H 117 8.264 8.264 8.543 -0.279 25439 25418 1 34 . 1 1 118 118 SER N N 118 115.475 115.475 121.317 -5.842 25439 25419 1 34 . 1 1 118 118 SER HA H 118 4.586 4.586 4.656 -0.070 25439 25420 1 34 . 1 1 118 118 SER CA C 118 57.974 57.974 57.625 0.349 25439 25421 1 34 . 1 1 118 118 SER CB C 118 64.479 64.479 64.293 0.186 25439 25422 1 34 . 1 1 118 118 SER H H 118 7.905 7.905 7.964 -0.059 25439 25423 1 34 . 1 1 119 119 THR N N 119 111.360 111.360 118.830 -7.470 25439 25424 1 34 . 1 1 119 119 THR HA H 119 4.450 4.450 4.552 -0.102 25439 25425 1 34 . 1 1 119 119 THR CA C 119 61.215 61.215 60.678 0.537 25439 25426 1 34 . 1 1 119 119 THR CB C 119 70.569 70.569 70.407 0.162 25439 25427 1 34 . 1 1 119 119 THR H H 119 8.044 8.044 8.093 -0.049 25439 25428 1 34 . 1 1 120 120 CYS N N 120 122.708 122.708 122.237 0.471 25439 25429 1 34 . 1 1 120 120 CYS HA H 120 4.255 4.255 4.448 -0.193 25439 25430 1 34 . 1 1 120 120 CYS CA C 120 61.469 61.469 59.748 1.721 25439 25431 1 34 . 1 1 120 120 CYS CB C 120 30.892 30.892 28.288 2.604 25439 25432 1 34 . 1 1 120 120 CYS H H 120 8.045 8.045 8.251 -0.206 25439 25433 1 34 . 1 1 121 121 ILE N N 121 132.463 132.463 124.062 8.401 25439 25434 1 34 . 1 1 121 121 ILE HA H 121 4.025 4.025 3.777 0.248 25439 25435 1 34 . 1 1 121 121 ILE CA C 121 63.353 63.353 63.181 0.172 25439 25436 1 34 . 1 1 121 121 ILE CB C 121 38.222 38.222 37.508 0.714 25439 25437 1 34 . 1 1 121 121 ILE H H 121 8.237 8.237 8.530 -0.293 25439 25438 1 34 . 1 1 122 122 CYS N N 122 123.931 123.931 118.090 5.841 25439 25439 1 34 . 1 1 122 122 CYS HA H 122 4.233 4.233 4.204 0.029 25439 25440 1 34 . 1 1 122 122 CYS CA C 122 60.230 60.230 60.444 -0.214 25439 25441 1 34 . 1 1 122 122 CYS CB C 122 30.602 30.602 25.974 4.628 25439 25442 1 34 . 1 1 122 122 CYS H H 122 9.355 9.355 7.558 1.797 25439 25443 1 34 . 1 1 123 123 ARG N N 123 119.561 119.561 121.035 -1.474 25439 25444 1 34 . 1 1 123 123 ARG HA H 123 4.150 4.150 4.319 -0.169 25439 25445 1 34 . 1 1 123 123 ARG CA C 123 53.177 53.177 58.375 -5.198 25439 25446 1 34 . 1 1 123 123 ARG CB C 123 27.961 27.961 30.421 -2.460 25439 25447 1 34 . 1 1 123 123 ARG H H 123 7.677 7.677 7.720 -0.043 25439 25448 1 34 . 1 1 124 124 VAL N N 124 122.794 122.794 120.931 1.863 25439 25449 1 34 . 1 1 124 124 VAL HA H 124 4.081 4.081 4.110 -0.029 25439 25450 1 34 . 1 1 124 124 VAL CA C 124 60.647 60.647 59.988 0.659 25439 25451 1 34 . 1 1 124 124 VAL CB C 124 32.857 32.857 30.876 1.981 25439 25452 1 34 . 1 1 124 124 VAL H H 124 7.578 7.578 7.463 0.115 25439 25453 1 34 . 1 1 125 125 PRO HA H 125 4.263 4.263 4.510 -0.247 25439 25454 1 34 . 1 1 125 125 PRO CA C 125 63.268 63.268 62.127 1.141 25439 25455 1 34 . 1 1 125 125 PRO CB C 125 32.379 32.379 32.879 -0.500 25439 25456 1 34 . 1 1 126 126 ARG N N 126 128.350 128.350 119.401 8.949 25439 25457 1 34 . 1 1 126 126 ARG HA H 126 3.912 3.912 4.035 -0.123 25439 25458 1 34 . 1 1 126 126 ARG CA C 126 59.653 59.653 59.868 -0.215 25439 25459 1 34 . 1 1 126 126 ARG CB C 126 29.339 29.339 29.313 0.026 25439 25460 1 34 . 1 1 126 126 ARG H H 126 9.534 9.534 8.783 0.751 25439 25461 1 34 . 1 1 127 127 ALA N N 127 119.169 119.169 122.112 -2.943 25439 25462 1 34 . 1 1 127 127 ALA HA H 127 4.192 4.192 4.418 -0.226 25439 25463 1 34 . 1 1 127 127 ALA CA C 127 55.227 55.227 55.205 0.022 25439 25464 1 34 . 1 1 127 127 ALA CB C 127 18.363 18.363 18.167 0.196 25439 25465 1 34 . 1 1 127 127 ALA H H 127 9.263 9.263 8.478 0.785 25439 25466 1 34 . 1 1 128 128 GLN N N 128 117.345 117.345 118.037 -0.692 25439 25467 1 34 . 1 1 128 128 GLN HA H 128 4.209 4.209 4.105 0.104 25439 25468 1 34 . 1 1 128 128 GLN CA C 128 58.506 58.506 58.896 -0.390 25439 25469 1 34 . 1 1 128 128 GLN CB C 128 28.220 28.220 28.308 -0.088 25439 25470 1 34 . 1 1 128 128 GLN H H 128 7.448 7.448 8.424 -0.976 25439 25471 1 34 . 1 1 129 129 LEU N N 129 120.561 120.561 120.435 0.126 25439 25472 1 34 . 1 1 129 129 LEU HA H 129 4.088 4.088 3.891 0.197 25439 25473 1 34 . 1 1 129 129 LEU CA C 129 57.952 57.952 58.067 -0.115 25439 25474 1 34 . 1 1 129 129 LEU CB C 129 41.817 41.817 41.900 -0.083 25439 25475 1 34 . 1 1 129 129 LEU H H 129 7.622 7.622 7.545 0.077 25439 25476 1 34 . 1 1 130 130 GLU N N 130 119.122 119.122 118.812 0.310 25439 25477 1 34 . 1 1 130 130 GLU HA H 130 3.956 3.956 3.889 0.067 25439 25478 1 34 . 1 1 130 130 GLU CA C 130 59.353 59.353 59.683 -0.330 25439 25479 1 34 . 1 1 130 130 GLU CB C 130 29.337 29.337 29.348 -0.011 25439 25480 1 34 . 1 1 130 130 GLU H H 130 8.656 8.656 8.658 -0.002 25439 25481 1 34 . 1 1 131 131 GLU N N 131 121.469 121.469 119.058 2.411 25439 25482 1 34 . 1 1 131 131 GLU HA H 131 4.163 4.163 3.984 0.179 25439 25483 1 34 . 1 1 131 131 GLU CA C 131 59.288 59.288 59.762 -0.474 25439 25484 1 34 . 1 1 131 131 GLU CB C 131 29.422 29.422 29.548 -0.126 25439 25485 1 34 . 1 1 131 131 GLU H H 131 7.922 7.922 7.757 0.165 25439 25486 1 34 . 1 1 132 132 GLU N N 132 119.241 119.241 118.593 0.648 25439 25487 1 34 . 1 1 132 132 GLU HA H 132 3.998 3.998 4.035 -0.037 25439 25488 1 34 . 1 1 132 132 GLU CA C 132 59.327 59.327 59.601 -0.274 25439 25489 1 34 . 1 1 132 132 GLU CB C 132 29.421 29.421 29.077 0.344 25439 25490 1 34 . 1 1 132 132 GLU H H 132 8.099 8.099 7.657 0.442 25439 25491 1 34 . 1 1 133 133 ALA N N 133 121.302 121.302 121.622 -0.320 25439 25492 1 34 . 1 1 133 133 ALA HA H 133 4.053 4.053 4.023 0.030 25439 25493 1 34 . 1 1 133 133 ALA CA C 133 54.973 54.973 55.077 -0.104 25439 25494 1 34 . 1 1 133 133 ALA CB C 133 18.154 18.154 18.242 -0.088 25439 25495 1 34 . 1 1 133 133 ALA H H 133 7.795 7.795 7.592 0.203 25439 25496 1 34 . 1 1 134 134 ARG N N 134 118.757 118.757 117.251 1.506 25439 25497 1 34 . 1 1 134 134 ARG HA H 134 4.143 4.143 4.033 0.110 25439 25498 1 34 . 1 1 134 134 ARG CA C 134 59.438 59.438 59.065 0.373 25439 25499 1 34 . 1 1 134 134 ARG CB C 134 30.148 30.148 30.312 -0.164 25439 25500 1 34 . 1 1 134 134 ARG H H 134 8.145 8.145 7.491 0.654 25439 25501 1 34 . 1 1 135 135 LYS N N 135 119.496 119.496 118.297 1.199 25439 25502 1 34 . 1 1 135 135 LYS HA H 135 4.073 4.073 4.160 -0.087 25439 25503 1 34 . 1 1 135 135 LYS CA C 135 59.327 59.327 58.157 1.170 25439 25504 1 34 . 1 1 135 135 LYS CB C 135 32.539 32.539 32.396 0.143 25439 25505 1 34 . 1 1 135 135 LYS H H 135 8.036 8.036 7.778 0.258 25439 25506 1 34 . 1 1 136 136 LYS N N 136 116.645 116.645 117.436 -0.791 25439 25507 1 34 . 1 1 136 136 LYS HA H 136 4.362 4.362 4.281 0.081 25439 25508 1 34 . 1 1 136 136 LYS CA C 136 56.575 56.575 56.146 0.429 25439 25509 1 34 . 1 1 136 136 LYS CB C 136 33.629 33.629 33.502 0.128 25439 25510 1 34 . 1 1 136 136 LYS H H 136 7.682 7.682 8.027 -0.345 25439 25511 1 34 . 1 1 137 137 GLY N N 137 109.349 109.349 107.182 2.167 25439 25512 1 34 . 1 1 137 137 GLY CA C 137 46.358 46.358 45.203 1.155 25439 25513 1 34 . 1 1 137 137 GLY H H 137 8.064 8.064 8.038 0.026 25439 25514 1 34 . 1 1 138 138 THR N N 138 112.870 112.870 113.625 -0.755 25439 25515 1 34 . 1 1 138 138 THR HA H 138 4.735 4.735 4.710 0.025 25439 25516 1 34 . 1 1 138 138 THR CA C 138 59.308 59.308 60.272 -0.964 25439 25517 1 34 . 1 1 138 138 THR CB C 138 70.755 70.755 70.322 0.433 25439 25518 1 34 . 1 1 138 138 THR H H 138 8.111 8.111 8.144 -0.033 25439 25519 1 34 . 1 1 139 139 GLN N N 139 118.177 118.177 118.612 -0.435 25439 25520 1 34 . 1 1 139 139 GLN HA H 139 4.609 4.609 4.720 -0.111 25439 25521 1 34 . 1 1 139 139 GLN CA C 139 54.435 54.435 54.643 -0.208 25439 25522 1 34 . 1 1 139 139 GLN CB C 139 30.777 30.777 30.922 -0.145 25439 25523 1 34 . 1 1 139 139 GLN H H 139 8.227 8.227 8.274 -0.047 25439 25524 1 34 . 1 1 140 140 VAL N N 140 123.601 123.601 119.069 4.532 25439 25525 1 34 . 1 1 140 140 VAL HA H 140 3.790 3.790 4.404 -0.614 25439 25526 1 34 . 1 1 140 140 VAL CA C 140 63.934 63.934 62.306 1.628 25439 25527 1 34 . 1 1 140 140 VAL CB C 140 32.154 32.154 34.419 -2.264 25439 25528 1 34 . 1 1 140 140 VAL H H 140 8.839 8.839 8.200 0.639 25439 25529 1 34 . 1 1 141 141 SER HA H 141 4.524 4.524 4.625 -0.101 25439 25530 1 34 . 1 1 141 141 SER CA C 141 57.841 57.841 57.928 -0.088 25439 25531 1 34 . 1 1 141 141 SER CB C 141 64.174 64.174 63.682 0.492 25439 25532 1 34 . 1 1 142 142 PHE N N 142 123.726 123.726 125.824 -2.098 25439 25533 1 34 . 1 1 142 142 PHE HA H 142 4.458 4.458 4.853 -0.395 25439 25534 1 34 . 1 1 142 142 PHE CA C 142 58.673 58.673 58.053 0.620 25439 25535 1 34 . 1 1 142 142 PHE CB C 142 40.055 40.055 41.080 -1.025 25439 25536 1 34 . 1 1 142 142 PHE H H 142 7.534 7.534 8.361 -0.827 25439 25537 1 34 . 1 1 143 143 HIS N N 143 126.548 126.548 119.445 7.103 25439 25538 1 34 . 1 1 143 143 HIS HA H 143 4.336 4.336 4.346 -0.010 25439 25539 1 34 . 1 1 143 143 HIS CA C 143 56.837 56.837 56.498 0.339 25439 25540 1 34 . 1 1 143 143 HIS CB C 143 31.949 31.949 32.437 -0.488 25439 25541 1 34 . 1 1 143 143 HIS H H 143 8.308 8.308 7.476 0.832 25439 25542 1 34 . 1 1 144 144 GLN N N 144 115.094 115.094 116.040 -0.946 25439 25543 1 34 . 1 1 144 144 GLN HA H 144 4.433 4.433 4.607 -0.174 25439 25544 1 34 . 1 1 144 144 GLN CA C 144 54.210 54.210 53.086 1.124 25439 25545 1 34 . 1 1 144 144 GLN CB C 144 32.925 32.925 32.101 0.824 25439 25546 1 34 . 1 1 144 144 GLN H H 144 7.203 7.203 6.998 0.205 25439 25547 1 34 . 1 1 145 145 CYS N N 145 123.088 123.088 118.630 4.458 25439 25548 1 34 . 1 1 145 145 CYS HA H 145 4.961 4.961 5.065 -0.104 25439 25549 1 34 . 1 1 145 145 CYS CA C 145 57.978 57.978 57.074 0.904 25439 25550 1 34 . 1 1 145 145 CYS CB C 145 33.555 33.555 29.668 3.887 25439 25551 1 34 . 1 1 145 145 CYS H H 145 8.668 8.668 8.463 0.205 25439 25552 1 34 . 1 1 146 146 VAL N N 146 113.265 113.265 117.990 -4.725 25439 25553 1 34 . 1 1 146 146 VAL HA H 146 4.238 4.238 4.233 0.005 25439 25554 1 34 . 1 1 146 146 VAL CA C 146 64.001 64.001 65.486 -1.485 25439 25555 1 34 . 1 1 146 146 VAL CB C 146 32.157 32.157 32.068 0.089 25439 25556 1 34 . 1 1 146 146 VAL H H 146 8.198 8.198 8.296 -0.098 25439 25557 1 34 . 1 1 147 147 HIS N N 147 120.556 120.556 118.505 2.051 25439 25558 1 34 . 1 1 147 147 HIS HA H 147 4.604 4.604 4.424 0.180 25439 25559 1 34 . 1 1 147 147 HIS CA C 147 58.708 58.708 58.562 0.146 25439 25560 1 34 . 1 1 147 147 HIS CB C 147 32.204 32.204 29.282 2.922 25439 25561 1 34 . 1 1 147 147 HIS H H 147 7.151 7.151 8.248 -1.097 25439 25562 1 34 . 1 1 148 148 CYS N N 148 112.110 112.110 112.455 -0.345 25439 25563 1 34 . 1 1 148 148 CYS HA H 148 4.889 4.889 4.757 0.132 25439 25564 1 34 . 1 1 148 148 CYS CA C 148 57.952 57.952 55.499 2.453 25439 25565 1 34 . 1 1 148 148 CYS CB C 148 32.956 32.956 30.321 2.635 25439 25566 1 34 . 1 1 148 148 CYS H H 148 7.413 7.413 7.304 0.109 25439 25567 1 34 . 1 1 149 149 GLY N N 149 112.797 112.797 108.146 4.651 25439 25568 1 34 . 1 1 149 149 GLY CA C 149 45.327 45.327 44.363 0.964 25439 25569 1 34 . 1 1 149 149 GLY H H 149 6.949 6.949 8.276 -1.327 25439 25570 1 34 . 1 1 150 150 CYS N N 150 127.277 127.277 120.594 6.683 25439 25571 1 34 . 1 1 150 150 CYS HA H 150 3.932 3.932 4.519 -0.587 25439 25572 1 34 . 1 1 150 150 CYS CA C 150 61.362 61.362 57.198 4.164 25439 25573 1 34 . 1 1 150 150 CYS CB C 150 30.632 30.632 29.781 0.851 25439 25574 1 34 . 1 1 150 150 CYS H H 150 8.240 8.240 7.090 1.150 25439 25575 1 34 . 1 1 151 151 ARG N N 151 125.476 125.476 127.645 -2.169 25439 25576 1 34 . 1 1 151 151 ARG HA H 151 4.775 4.775 4.311 0.464 25439 25577 1 34 . 1 1 151 151 ARG CA C 151 56.164 56.164 54.908 1.256 25439 25578 1 34 . 1 1 151 151 ARG CB C 151 30.354 30.354 28.729 1.625 25439 25579 1 34 . 1 1 151 151 ARG H H 151 8.492 8.492 8.617 -0.125 25439 25580 1 34 . 1 1 152 152 GLY N N 152 117.275 117.275 108.403 8.872 25439 25581 1 34 . 1 1 152 152 GLY CA C 152 45.523 45.523 45.637 -0.114 25439 25582 1 34 . 1 1 152 152 GLY H H 152 9.812 9.812 7.661 2.151 25439 25583 1 34 . 1 1 153 153 CYS N N 153 126.187 126.187 118.858 7.329 25439 25584 1 34 . 1 1 153 153 CYS HA H 153 4.842 4.842 4.810 0.032 25439 25585 1 34 . 1 1 153 153 CYS CA C 153 57.130 57.130 55.795 1.335 25439 25586 1 34 . 1 1 153 153 CYS CB C 153 31.368 31.368 28.061 3.307 25439 25587 1 34 . 1 1 153 153 CYS H H 153 8.930 8.930 8.203 0.727 25439 25588 1 34 . 1 1 154 154 ALA N N 154 125.869 125.869 126.262 -0.393 25439 25589 1 34 . 1 1 154 154 ALA HA H 154 4.159 4.159 4.998 -0.839 25439 25590 1 34 . 1 1 154 154 ALA CA C 154 53.187 53.187 51.331 1.857 25439 25591 1 34 . 1 1 154 154 ALA CB C 154 18.937 18.937 21.365 -2.428 25439 25592 1 34 . 1 1 154 154 ALA H H 154 8.616 8.616 8.361 0.255 25439 25593 1 34 . 1 1 155 155 SER N N 155 116.724 116.724 117.734 -1.010 25439 25594 1 34 . 1 1 155 155 SER HA H 155 4.283 4.283 4.549 -0.266 25439 25595 1 34 . 1 1 155 155 SER CA C 155 60.136 60.136 59.318 0.818 25439 25596 1 34 . 1 1 155 155 SER CB C 155 63.575 63.575 64.160 -0.585 25439 25597 1 34 . 1 1 155 155 SER H H 155 9.358 9.358 8.793 0.565 25439 25598 1 34 . 1 1 156 156 THR N N 156 111.893 111.893 116.079 -4.186 25439 25599 1 34 . 1 1 156 156 THR HA H 156 4.358 4.358 4.125 0.233 25439 25600 1 34 . 1 1 156 156 THR CA C 156 61.264 61.264 64.839 -3.575 25439 25601 1 34 . 1 1 156 156 THR CB C 156 69.999 69.999 69.036 0.963 25439 25602 1 34 . 1 1 156 156 THR H H 156 7.638 7.638 8.273 -0.635 25439 25603 1 35 . 1 1 0 0 GLY CA C 0 43.750 43.750 44.546 -0.796 25439 25604 1 35 . 1 1 1 1 SER N N 1 117.201 117.201 116.963 0.238 25439 25605 1 35 . 1 1 1 1 SER HA H 1 4.809 4.809 4.654 0.155 25439 25606 1 35 . 1 1 1 1 SER CA C 1 56.525 56.525 56.708 -0.183 25439 25607 1 35 . 1 1 1 1 SER CB C 1 63.385 63.385 64.061 -0.676 25439 25608 1 35 . 1 1 1 1 SER H H 1 8.381 8.381 8.290 0.091 25439 25609 1 35 . 1 1 2 2 PRO HA H 2 4.468 4.468 4.744 -0.276 25439 25610 1 35 . 1 1 2 2 PRO CA C 2 63.292 63.292 62.667 0.625 25439 25611 1 35 . 1 1 2 2 PRO CB C 2 32.174 32.174 32.297 -0.123 25439 25612 1 35 . 1 1 3 3 ARG N N 3 121.649 121.649 118.935 2.714 25439 25613 1 35 . 1 1 3 3 ARG HA H 3 4.324 4.324 4.631 -0.307 25439 25614 1 35 . 1 1 3 3 ARG CA C 3 56.226 56.226 55.650 0.576 25439 25615 1 35 . 1 1 3 3 ARG CB C 3 30.732 30.732 31.753 -1.021 25439 25616 1 35 . 1 1 3 3 ARG H H 3 8.428 8.428 8.338 0.090 25439 25617 1 35 . 1 1 4 4 ILE N N 4 122.500 122.500 123.022 -0.522 25439 25618 1 35 . 1 1 4 4 ILE HA H 4 4.181 4.181 4.367 -0.186 25439 25619 1 35 . 1 1 4 4 ILE CA C 4 60.943 60.943 60.679 0.264 25439 25620 1 35 . 1 1 4 4 ILE CB C 4 38.751 38.751 39.578 -0.827 25439 25621 1 35 . 1 1 4 4 ILE H H 4 8.165 8.165 8.378 -0.213 25439 25622 1 35 . 1 1 5 5 LYS N N 5 126.237 126.237 124.428 1.809 25439 25623 1 35 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.652 -0.250 25439 25624 1 35 . 1 1 5 5 LYS CA C 5 56.422 56.422 55.817 0.605 25439 25625 1 35 . 1 1 5 5 LYS CB C 5 33.130 33.130 34.176 -1.046 25439 25626 1 35 . 1 1 5 5 LYS H H 5 8.500 8.500 8.484 0.016 25439 25627 1 35 . 1 1 6 6 THR N N 6 116.495 116.495 113.988 2.507 25439 25628 1 35 . 1 1 6 6 THR HA H 6 4.323 4.323 3.987 0.336 25439 25629 1 35 . 1 1 6 6 THR CA C 6 61.918 61.918 63.008 -1.090 25439 25630 1 35 . 1 1 6 6 THR CB C 6 69.963 69.963 69.050 0.913 25439 25631 1 35 . 1 1 6 6 THR H H 6 8.194 8.194 8.376 -0.182 25439 25632 1 35 . 1 1 7 7 ARG N N 7 124.128 124.128 120.968 3.160 25439 25633 1 35 . 1 1 7 7 ARG HA H 7 4.396 4.396 4.479 -0.083 25439 25634 1 35 . 1 1 7 7 ARG CA C 7 56.128 56.128 55.910 0.217 25439 25635 1 35 . 1 1 7 7 ARG CB C 7 30.953 30.953 30.985 -0.032 25439 25636 1 35 . 1 1 7 7 ARG H H 7 8.458 8.458 8.341 0.117 25439 25637 1 35 . 1 1 8 8 ARG N N 8 123.384 123.384 123.520 -0.136 25439 25638 1 35 . 1 1 8 8 ARG HA H 8 4.424 4.424 4.514 -0.090 25439 25639 1 35 . 1 1 8 8 ARG CA C 8 56.011 56.011 55.997 0.014 25439 25640 1 35 . 1 1 8 8 ARG CB C 8 31.058 31.058 30.494 0.564 25439 25641 1 35 . 1 1 8 8 ARG H H 8 8.526 8.526 8.594 -0.068 25439 25642 1 35 . 1 1 9 9 SER N N 9 118.446 118.446 115.506 2.940 25439 25643 1 35 . 1 1 9 9 SER HA H 9 4.473 4.473 4.772 -0.299 25439 25644 1 35 . 1 1 9 9 SER CA C 9 58.568 58.568 57.495 1.073 25439 25645 1 35 . 1 1 9 9 SER CB C 9 63.986 63.986 63.504 0.482 25439 25646 1 35 . 1 1 9 9 SER H H 9 8.450 8.450 8.237 0.213 25439 25647 1 35 . 1 1 10 10 LYS N N 10 124.117 124.117 124.070 0.047 25439 25648 1 35 . 1 1 10 10 LYS HA H 10 4.673 4.673 4.922 -0.249 25439 25649 1 35 . 1 1 10 10 LYS CA C 10 54.412 54.412 53.432 0.980 25439 25650 1 35 . 1 1 10 10 LYS CB C 10 32.693 32.693 34.060 -1.367 25439 25651 1 35 . 1 1 10 10 LYS H H 10 8.426 8.426 8.595 -0.169 25439 25652 1 35 . 1 1 11 11 PRO HA H 11 4.360 4.360 4.418 -0.058 25439 25653 1 35 . 1 1 11 11 PRO CA C 11 62.861 62.861 62.397 0.464 25439 25654 1 35 . 1 1 11 11 PRO CB C 11 32.106 32.106 32.121 -0.015 25439 25655 1 35 . 1 1 12 12 ALA N N 12 124.420 124.420 122.444 1.976 25439 25656 1 35 . 1 1 12 12 ALA HA H 12 2.889 2.889 3.305 -0.416 25439 25657 1 35 . 1 1 12 12 ALA CA C 12 49.735 49.735 49.121 0.614 25439 25658 1 35 . 1 1 12 12 ALA CB C 12 18.066 18.066 17.110 0.956 25439 25659 1 35 . 1 1 12 12 ALA H H 12 7.890 7.890 7.807 0.083 25439 25660 1 35 . 1 1 13 13 PRO HA H 13 4.207 4.207 4.438 -0.231 25439 25661 1 35 . 1 1 13 13 PRO CA C 13 62.111 62.111 61.878 0.233 25439 25662 1 35 . 1 1 13 13 PRO CB C 13 32.582 32.582 32.488 0.094 25439 25663 1 35 . 1 1 14 14 ASP N N 14 119.535 119.535 119.996 -0.461 25439 25664 1 35 . 1 1 14 14 ASP HA H 14 4.379 4.379 4.295 0.084 25439 25665 1 35 . 1 1 14 14 ASP CA C 14 56.427 56.427 57.389 -0.962 25439 25666 1 35 . 1 1 14 14 ASP CB C 14 41.177 41.177 40.727 0.450 25439 25667 1 35 . 1 1 14 14 ASP H H 14 8.206 8.206 8.642 -0.436 25439 25668 1 35 . 1 1 15 15 GLY N N 15 113.273 113.273 107.747 5.526 25439 25669 1 35 . 1 1 15 15 GLY CA C 15 45.146 45.146 46.733 -1.587 25439 25670 1 35 . 1 1 15 15 GLY H H 15 8.723 8.723 8.453 0.270 25439 25671 1 35 . 1 1 16 16 PHE N N 16 123.113 123.113 122.591 0.522 25439 25672 1 35 . 1 1 16 16 PHE HA H 16 4.125 4.125 4.262 -0.137 25439 25673 1 35 . 1 1 16 16 PHE CA C 16 60.715 60.715 59.487 1.228 25439 25674 1 35 . 1 1 16 16 PHE CB C 16 39.639 39.639 39.065 0.574 25439 25675 1 35 . 1 1 16 16 PHE H H 16 8.127 8.127 8.261 -0.134 25439 25676 1 35 . 1 1 17 17 GLU N N 17 115.695 115.695 119.400 -3.705 25439 25677 1 35 . 1 1 17 17 GLU HA H 17 3.768 3.768 3.793 -0.025 25439 25678 1 35 . 1 1 17 17 GLU CA C 17 59.234 59.234 59.430 -0.196 25439 25679 1 35 . 1 1 17 17 GLU CB C 17 28.495 28.495 29.293 -0.798 25439 25680 1 35 . 1 1 17 17 GLU H H 17 9.088 9.088 8.254 0.834 25439 25681 1 35 . 1 1 18 18 LYS N N 18 115.887 115.887 117.827 -1.940 25439 25682 1 35 . 1 1 18 18 LYS HA H 18 4.165 4.165 4.076 0.089 25439 25683 1 35 . 1 1 18 18 LYS CA C 18 58.249 58.249 58.899 -0.650 25439 25684 1 35 . 1 1 18 18 LYS CB C 18 32.725 32.725 32.822 -0.097 25439 25685 1 35 . 1 1 18 18 LYS H H 18 7.285 7.285 7.776 -0.491 25439 25686 1 35 . 1 1 19 19 ILE N N 19 110.277 110.277 111.228 -0.951 25439 25687 1 35 . 1 1 19 19 ILE HA H 19 4.722 4.722 4.679 0.043 25439 25688 1 35 . 1 1 19 19 ILE CA C 19 61.093 61.093 59.883 1.210 25439 25689 1 35 . 1 1 19 19 ILE CB C 19 39.139 39.139 38.122 1.017 25439 25690 1 35 . 1 1 19 19 ILE H H 19 7.031 7.031 7.494 -0.463 25439 25691 1 35 . 1 1 20 20 LYS N N 20 124.540 124.540 122.596 1.944 25439 25692 1 35 . 1 1 20 20 LYS HA H 20 3.603 3.603 3.793 -0.190 25439 25693 1 35 . 1 1 20 20 LYS CA C 20 60.917 60.917 60.007 0.910 25439 25694 1 35 . 1 1 20 20 LYS CB C 20 30.210 30.210 30.633 -0.423 25439 25695 1 35 . 1 1 20 20 LYS H H 20 7.666 7.666 7.544 0.122 25439 25696 1 35 . 1 1 21 21 PRO HA H 21 4.292 4.292 4.614 -0.322 25439 25697 1 35 . 1 1 21 21 PRO CA C 21 66.990 66.990 65.251 1.739 25439 25698 1 35 . 1 1 21 21 PRO CB C 21 30.779 30.779 31.507 -0.728 25439 25699 1 35 . 1 1 22 22 THR N N 22 114.917 114.917 115.384 -0.467 25439 25700 1 35 . 1 1 22 22 THR HA H 22 3.866 3.866 4.076 -0.210 25439 25701 1 35 . 1 1 22 22 THR CA C 22 66.575 66.575 66.699 -0.124 25439 25702 1 35 . 1 1 22 22 THR CB C 22 68.731 68.731 68.228 0.504 25439 25703 1 35 . 1 1 22 22 THR H H 22 7.331 7.331 8.449 -1.118 25439 25704 1 35 . 1 1 23 23 LEU N N 23 120.152 120.152 120.325 -0.173 25439 25705 1 35 . 1 1 23 23 LEU HA H 23 4.397 4.397 4.101 0.296 25439 25706 1 35 . 1 1 23 23 LEU CA C 23 58.740 58.740 57.767 0.974 25439 25707 1 35 . 1 1 23 23 LEU CB C 23 40.489 40.489 41.835 -1.346 25439 25708 1 35 . 1 1 23 23 LEU H H 23 7.991 7.991 7.612 0.379 25439 25709 1 35 . 1 1 24 24 THR N N 24 119.365 119.365 115.269 4.096 25439 25710 1 35 . 1 1 24 24 THR HA H 24 4.095 4.095 3.906 0.189 25439 25711 1 35 . 1 1 24 24 THR CA C 24 66.834 66.834 66.631 0.203 25439 25712 1 35 . 1 1 24 24 THR CB C 24 68.614 68.614 68.274 0.340 25439 25713 1 35 . 1 1 24 24 THR H H 24 9.175 9.175 7.569 1.606 25439 25714 1 35 . 1 1 25 25 ASP N N 25 122.865 122.865 122.230 0.635 25439 25715 1 35 . 1 1 25 25 ASP HA H 25 4.483 4.483 4.340 0.143 25439 25716 1 35 . 1 1 25 25 ASP CA C 25 58.158 58.158 57.271 0.887 25439 25717 1 35 . 1 1 25 25 ASP CB C 25 40.329 40.329 40.680 -0.351 25439 25718 1 35 . 1 1 25 25 ASP H H 25 7.714 7.714 7.708 0.006 25439 25719 1 35 . 1 1 26 26 PHE N N 26 116.182 116.182 118.689 -2.507 25439 25720 1 35 . 1 1 26 26 PHE HA H 26 4.457 4.457 4.174 0.283 25439 25721 1 35 . 1 1 26 26 PHE CA C 26 62.531 62.531 61.506 1.025 25439 25722 1 35 . 1 1 26 26 PHE CB C 26 39.468 39.468 38.841 0.627 25439 25723 1 35 . 1 1 26 26 PHE H H 26 7.816 7.816 7.871 -0.055 25439 25724 1 35 . 1 1 27 27 GLU N N 27 120.107 120.107 119.002 1.105 25439 25725 1 35 . 1 1 27 27 GLU HA H 27 4.113 4.113 4.042 0.071 25439 25726 1 35 . 1 1 27 27 GLU CA C 27 59.852 59.852 59.754 0.098 25439 25727 1 35 . 1 1 27 27 GLU CB C 27 29.692 29.692 29.129 0.563 25439 25728 1 35 . 1 1 27 27 GLU H H 27 8.068 8.068 7.907 0.161 25439 25729 1 35 . 1 1 28 28 ILE N N 28 121.494 121.494 120.082 1.412 25439 25730 1 35 . 1 1 28 28 ILE HA H 28 3.718 3.718 3.710 0.008 25439 25731 1 35 . 1 1 28 28 ILE CA C 28 65.002 65.002 65.023 -0.021 25439 25732 1 35 . 1 1 28 28 ILE CB C 28 38.023 38.023 37.895 0.128 25439 25733 1 35 . 1 1 28 28 ILE H H 28 8.531 8.531 7.551 0.980 25439 25734 1 35 . 1 1 29 29 GLN N N 29 118.941 118.941 119.850 -0.909 25439 25735 1 35 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.048 0.132 25439 25736 1 35 . 1 1 29 29 GLN CA C 29 59.507 59.507 58.514 0.993 25439 25737 1 35 . 1 1 29 29 GLN CB C 29 29.783 29.783 28.579 1.204 25439 25738 1 35 . 1 1 29 29 GLN H H 29 8.117 8.117 7.449 0.668 25439 25739 1 35 . 1 1 30 30 LEU N N 30 121.724 121.724 120.977 0.747 25439 25740 1 35 . 1 1 30 30 LEU HA H 30 4.032 4.032 3.981 0.051 25439 25741 1 35 . 1 1 30 30 LEU CA C 30 58.333 58.333 58.329 0.004 25439 25742 1 35 . 1 1 30 30 LEU CB C 30 42.339 42.339 41.851 0.488 25439 25743 1 35 . 1 1 30 30 LEU H H 30 8.677 8.677 8.588 0.089 25439 25744 1 35 . 1 1 31 31 ARG N N 31 120.629 120.629 119.315 1.314 25439 25745 1 35 . 1 1 31 31 ARG HA H 31 4.105 4.105 3.875 0.230 25439 25746 1 35 . 1 1 31 31 ARG CA C 31 59.340 59.340 60.500 -1.160 25439 25747 1 35 . 1 1 31 31 ARG CB C 31 30.044 30.044 29.733 0.311 25439 25748 1 35 . 1 1 31 31 ARG H H 31 8.227 8.227 8.654 -0.427 25439 25749 1 35 . 1 1 32 32 ASP N N 32 120.233 120.233 119.961 0.272 25439 25750 1 35 . 1 1 32 32 ASP HA H 32 4.484 4.484 4.486 -0.002 25439 25751 1 35 . 1 1 32 32 ASP CA C 32 57.199 57.199 57.449 -0.250 25439 25752 1 35 . 1 1 32 32 ASP CB C 32 40.202 40.202 40.528 -0.326 25439 25753 1 35 . 1 1 32 32 ASP H H 32 8.407 8.407 7.757 0.650 25439 25754 1 35 . 1 1 33 33 ALA N N 33 121.939 121.939 121.980 -0.041 25439 25755 1 35 . 1 1 33 33 ALA HA H 33 4.321 4.321 3.945 0.376 25439 25756 1 35 . 1 1 33 33 ALA CA C 33 54.207 54.207 55.155 -0.948 25439 25757 1 35 . 1 1 33 33 ALA CB C 33 18.738 18.738 18.464 0.274 25439 25758 1 35 . 1 1 33 33 ALA H H 33 8.057 8.057 7.489 0.568 25439 25759 1 35 . 1 1 34 34 GLN N N 34 114.736 114.736 117.350 -2.614 25439 25760 1 35 . 1 1 34 34 GLN HA H 34 4.248 4.248 4.082 0.166 25439 25761 1 35 . 1 1 34 34 GLN CA C 34 56.567 56.567 58.846 -2.279 25439 25762 1 35 . 1 1 34 34 GLN CB C 34 29.743 29.743 28.798 0.945 25439 25763 1 35 . 1 1 34 34 GLN H H 34 7.746 7.746 8.733 -0.987 25439 25764 1 35 . 1 1 35 35 LYS N N 35 120.534 120.534 118.835 1.699 25439 25765 1 35 . 1 1 35 35 LYS HA H 35 4.232 4.232 4.296 -0.064 25439 25766 1 35 . 1 1 35 35 LYS CA C 35 57.427 57.427 58.336 -0.909 25439 25767 1 35 . 1 1 35 35 LYS CB C 35 32.887 32.887 32.850 0.037 25439 25768 1 35 . 1 1 35 35 LYS H H 35 7.570 7.570 8.180 -0.610 25439 25769 1 35 . 1 1 36 36 ASP N N 36 120.943 120.943 119.700 1.243 25439 25770 1 35 . 1 1 36 36 ASP HA H 36 4.595 4.595 4.513 0.082 25439 25771 1 35 . 1 1 36 36 ASP CA C 36 54.983 54.983 56.901 -1.918 25439 25772 1 35 . 1 1 36 36 ASP CB C 36 41.129 41.129 40.808 0.321 25439 25773 1 35 . 1 1 36 36 ASP H H 36 8.375 8.375 8.479 -0.104 25439 25774 1 35 . 1 1 37 37 LYS N N 37 122.598 122.598 119.865 2.733 25439 25775 1 35 . 1 1 37 37 LYS HA H 37 4.365 4.365 4.103 0.262 25439 25776 1 35 . 1 1 37 37 LYS CA C 37 56.725 56.725 58.751 -2.026 25439 25777 1 35 . 1 1 37 37 LYS CB C 37 32.823 32.823 32.530 0.293 25439 25778 1 35 . 1 1 37 37 LYS H H 37 8.446 8.446 7.876 0.570 25439 25779 1 35 . 1 1 38 38 SER N N 38 115.849 115.849 111.728 4.121 25439 25780 1 35 . 1 1 38 38 SER HA H 38 4.423 4.423 4.584 -0.161 25439 25781 1 35 . 1 1 38 38 SER CA C 38 59.193 59.193 58.118 1.075 25439 25782 1 35 . 1 1 38 38 SER CB C 38 63.744 63.744 63.656 0.088 25439 25783 1 35 . 1 1 38 38 SER H H 38 8.392 8.392 7.807 0.585 25439 25784 1 35 . 1 1 39 39 SER N N 39 117.258 117.258 115.972 1.286 25439 25785 1 35 . 1 1 39 39 SER HA H 39 4.445 4.445 4.580 -0.136 25439 25786 1 35 . 1 1 39 39 SER CA C 39 58.933 58.933 58.616 0.317 25439 25787 1 35 . 1 1 39 39 SER CB C 39 63.711 63.711 64.448 -0.737 25439 25788 1 35 . 1 1 39 39 SER H H 39 8.283 8.283 7.906 0.377 25439 25789 1 35 . 1 1 40 40 LYS N N 40 122.427 122.427 122.471 -0.044 25439 25790 1 35 . 1 1 40 40 LYS HA H 40 4.321 4.321 4.535 -0.214 25439 25791 1 35 . 1 1 40 40 LYS CA C 40 56.847 56.847 55.653 1.194 25439 25792 1 35 . 1 1 40 40 LYS CB C 40 32.764 32.764 33.761 -0.997 25439 25793 1 35 . 1 1 40 40 LYS H H 40 8.263 8.263 8.069 0.194 25439 25794 1 35 . 1 1 41 41 LEU N N 41 121.281 121.281 124.910 -3.629 25439 25795 1 35 . 1 1 41 41 LEU HA H 41 4.308 4.308 4.586 -0.278 25439 25796 1 35 . 1 1 41 41 LEU CA C 41 55.335 55.335 55.099 0.236 25439 25797 1 35 . 1 1 41 41 LEU CB C 41 42.212 42.212 41.965 0.247 25439 25798 1 35 . 1 1 41 41 LEU H H 41 8.068 8.068 8.697 -0.629 25439 25799 1 35 . 1 1 42 42 ALA N N 42 123.964 123.964 126.014 -2.050 25439 25800 1 35 . 1 1 42 42 ALA HA H 42 4.274 4.274 4.524 -0.250 25439 25801 1 35 . 1 1 42 42 ALA CA C 42 52.851 52.851 52.471 0.380 25439 25802 1 35 . 1 1 42 42 ALA CB C 42 19.135 19.135 19.210 -0.075 25439 25803 1 35 . 1 1 42 42 ALA H H 42 8.111 8.111 8.470 -0.359 25439 25804 1 35 . 1 1 43 43 ALA N N 43 122.146 122.146 121.845 0.301 25439 25805 1 35 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.556 -0.259 25439 25806 1 35 . 1 1 43 43 ALA CA C 43 52.727 52.727 51.570 1.157 25439 25807 1 35 . 1 1 43 43 ALA CB C 43 19.318 19.318 19.920 -0.602 25439 25808 1 35 . 1 1 43 43 ALA H H 43 8.101 8.101 7.632 0.469 25439 25809 1 35 . 1 1 44 44 LYS N N 44 119.454 119.454 123.268 -3.814 25439 25810 1 35 . 1 1 44 44 LYS HA H 44 4.349 4.349 3.998 0.351 25439 25811 1 35 . 1 1 44 44 LYS CA C 44 56.267 56.267 56.239 0.028 25439 25812 1 35 . 1 1 44 44 LYS CB C 44 32.825 32.825 32.264 0.561 25439 25813 1 35 . 1 1 44 44 LYS H H 44 8.198 8.198 8.651 -0.453 25439 25814 1 35 . 1 1 45 45 SER N N 45 116.660 116.660 118.101 -1.441 25439 25815 1 35 . 1 1 45 45 SER HA H 45 4.368 4.368 4.328 0.040 25439 25816 1 35 . 1 1 45 45 SER CA C 45 58.477 58.477 59.449 -0.972 25439 25817 1 35 . 1 1 45 45 SER CB C 45 64.063 64.063 63.928 0.135 25439 25818 1 35 . 1 1 45 45 SER H H 45 8.251 8.251 8.338 -0.087 25439 25819 1 35 . 1 1 46 46 ASN N N 46 120.516 120.516 120.173 0.343 25439 25820 1 35 . 1 1 46 46 ASN HA H 46 4.361 4.361 4.171 0.190 25439 25821 1 35 . 1 1 46 46 ASN CA C 46 54.657 54.657 55.936 -1.279 25439 25822 1 35 . 1 1 46 46 ASN CB C 46 37.649 37.649 37.736 -0.087 25439 25823 1 35 . 1 1 46 46 ASN H H 46 8.498 8.498 8.506 -0.008 25439 25824 1 35 . 1 1 47 47 GLU N N 47 117.964 117.964 117.906 0.058 25439 25825 1 35 . 1 1 47 47 GLU HA H 47 3.350 3.350 3.181 0.169 25439 25826 1 35 . 1 1 47 47 GLU CA C 47 59.213 59.213 58.936 0.277 25439 25827 1 35 . 1 1 47 47 GLU CB C 47 28.998 28.998 28.864 0.134 25439 25828 1 35 . 1 1 47 47 GLU H H 47 8.016 8.016 8.236 -0.220 25439 25829 1 35 . 1 1 48 48 GLN N N 48 119.468 119.468 119.529 -0.061 25439 25830 1 35 . 1 1 48 48 GLN HA H 48 4.250 4.250 4.152 0.098 25439 25831 1 35 . 1 1 48 48 GLN CA C 48 58.529 58.529 58.512 0.017 25439 25832 1 35 . 1 1 48 48 GLN CB C 48 28.902 28.902 28.616 0.286 25439 25833 1 35 . 1 1 48 48 GLN H H 48 7.892 7.892 7.330 0.562 25439 25834 1 35 . 1 1 49 49 LEU N N 49 120.145 120.145 119.860 0.285 25439 25835 1 35 . 1 1 49 49 LEU HA H 49 4.232 4.232 3.977 0.255 25439 25836 1 35 . 1 1 49 49 LEU CA C 49 57.479 57.479 57.865 -0.386 25439 25837 1 35 . 1 1 49 49 LEU CB C 49 41.391 41.391 41.970 -0.579 25439 25838 1 35 . 1 1 49 49 LEU H H 49 7.699 7.699 7.380 0.319 25439 25839 1 35 . 1 1 50 50 TRP N N 50 119.596 119.596 116.951 2.645 25439 25840 1 35 . 1 1 50 50 TRP HA H 50 4.520 4.520 4.466 0.054 25439 25841 1 35 . 1 1 50 50 TRP CA C 50 58.353 58.353 57.453 0.900 25439 25842 1 35 . 1 1 50 50 TRP CB C 50 28.880 28.880 27.879 1.001 25439 25843 1 35 . 1 1 50 50 TRP H H 50 8.385 8.385 7.764 0.621 25439 25844 1 35 . 1 1 51 51 GLU N N 51 119.362 119.362 118.732 0.630 25439 25845 1 35 . 1 1 51 51 GLU HA H 51 4.145 4.145 4.133 0.012 25439 25846 1 35 . 1 1 51 51 GLU CA C 51 60.035 60.035 59.690 0.345 25439 25847 1 35 . 1 1 51 51 GLU CB C 51 29.675 29.675 29.114 0.561 25439 25848 1 35 . 1 1 51 51 GLU H H 51 8.223 8.223 7.854 0.369 25439 25849 1 35 . 1 1 52 52 ILE N N 52 119.018 119.018 120.208 -1.190 25439 25850 1 35 . 1 1 52 52 ILE HA H 52 3.673 3.673 3.709 -0.036 25439 25851 1 35 . 1 1 52 52 ILE CA C 52 65.511 65.511 65.167 0.344 25439 25852 1 35 . 1 1 52 52 ILE CB C 52 38.532 38.532 38.069 0.463 25439 25853 1 35 . 1 1 52 52 ILE H H 52 7.801 7.801 7.630 0.171 25439 25854 1 35 . 1 1 53 53 MET N N 53 118.133 118.133 116.291 1.842 25439 25855 1 35 . 1 1 53 53 MET HA H 53 4.452 4.452 4.037 0.415 25439 25856 1 35 . 1 1 53 53 MET CA C 53 58.216 58.216 58.430 -0.214 25439 25857 1 35 . 1 1 53 53 MET CB C 53 31.838 31.838 31.451 0.387 25439 25858 1 35 . 1 1 53 53 MET H H 53 8.411 8.411 7.509 0.902 25439 25859 1 35 . 1 1 54 54 GLN N N 54 120.855 120.855 118.468 2.387 25439 25860 1 35 . 1 1 54 54 GLN HA H 54 4.333 4.333 4.066 0.267 25439 25861 1 35 . 1 1 54 54 GLN CA C 54 59.004 59.004 58.935 0.069 25439 25862 1 35 . 1 1 54 54 GLN CB C 54 27.824 27.824 28.592 -0.768 25439 25863 1 35 . 1 1 54 54 GLN H H 54 8.860 8.860 8.101 0.759 25439 25864 1 35 . 1 1 55 55 LEU N N 55 122.788 122.788 119.354 3.434 25439 25865 1 35 . 1 1 55 55 LEU HA H 55 4.302 4.302 4.353 -0.051 25439 25866 1 35 . 1 1 55 55 LEU CA C 55 58.685 58.685 57.438 1.247 25439 25867 1 35 . 1 1 55 55 LEU CB C 55 42.695 42.695 40.864 1.831 25439 25868 1 35 . 1 1 55 55 LEU H H 55 8.298 8.298 7.891 0.407 25439 25869 1 35 . 1 1 56 56 HIS N N 56 118.426 118.426 118.194 0.232 25439 25870 1 35 . 1 1 56 56 HIS HA H 56 4.317 4.317 4.253 0.064 25439 25871 1 35 . 1 1 56 56 HIS CA C 56 60.732 60.732 60.040 0.692 25439 25872 1 35 . 1 1 56 56 HIS CB C 56 30.530 30.530 29.645 0.885 25439 25873 1 35 . 1 1 56 56 HIS H H 56 8.416 8.416 7.793 0.623 25439 25874 1 35 . 1 1 57 57 HIS N N 57 121.197 121.197 119.263 1.934 25439 25875 1 35 . 1 1 57 57 HIS HA H 57 4.318 4.318 4.521 -0.203 25439 25876 1 35 . 1 1 57 57 HIS CA C 57 60.739 60.739 58.591 2.148 25439 25877 1 35 . 1 1 57 57 HIS CB C 57 28.726 28.726 30.180 -1.454 25439 25878 1 35 . 1 1 57 57 HIS H H 57 8.608 8.608 8.016 0.592 25439 25879 1 35 . 1 1 58 58 GLN N N 58 118.739 118.739 118.619 0.120 25439 25880 1 35 . 1 1 58 58 GLN HA H 58 4.202 4.202 4.155 0.047 25439 25881 1 35 . 1 1 58 58 GLN CA C 58 59.507 59.507 59.038 0.469 25439 25882 1 35 . 1 1 58 58 GLN CB C 58 29.111 29.111 28.420 0.691 25439 25883 1 35 . 1 1 58 58 GLN H H 58 9.206 9.206 8.047 1.159 25439 25884 1 35 . 1 1 59 59 ARG N N 59 122.498 122.498 119.410 3.088 25439 25885 1 35 . 1 1 59 59 ARG HA H 59 3.437 3.437 3.912 -0.475 25439 25886 1 35 . 1 1 59 59 ARG CA C 59 60.361 60.361 58.637 1.724 25439 25887 1 35 . 1 1 59 59 ARG H H 59 8.623 8.623 8.472 0.151 25439 25888 1 35 . 1 1 60 60 SER N N 60 114.930 114.930 115.512 -0.582 25439 25889 1 35 . 1 1 60 60 SER HA H 60 4.515 4.515 4.295 0.220 25439 25890 1 35 . 1 1 60 60 SER CA C 60 64.832 64.832 62.153 2.679 25439 25891 1 35 . 1 1 60 60 SER CB C 60 63.583 63.583 63.086 0.497 25439 25892 1 35 . 1 1 60 60 SER H H 60 7.993 7.993 8.273 -0.280 25439 25893 1 35 . 1 1 61 61 ARG N N 61 124.417 124.417 122.698 1.719 25439 25894 1 35 . 1 1 61 61 ARG HA H 61 4.204 4.204 4.108 0.096 25439 25895 1 35 . 1 1 61 61 ARG CA C 61 58.852 58.852 59.121 -0.269 25439 25896 1 35 . 1 1 61 61 ARG CB C 61 29.077 29.077 29.845 -0.767 25439 25897 1 35 . 1 1 61 61 ARG H H 61 9.569 9.569 8.387 1.182 25439 25898 1 35 . 1 1 62 62 TYR N N 62 124.484 124.484 121.074 3.410 25439 25899 1 35 . 1 1 62 62 TYR HA H 62 4.676 4.676 4.329 0.347 25439 25900 1 35 . 1 1 62 62 TYR CA C 62 61.006 61.006 62.108 -1.102 25439 25901 1 35 . 1 1 62 62 TYR CB C 62 38.392 38.392 38.767 -0.375 25439 25902 1 35 . 1 1 62 62 TYR H H 62 8.622 8.622 8.253 0.369 25439 25903 1 35 . 1 1 63 63 ILE N N 63 119.789 119.789 119.105 0.684 25439 25904 1 35 . 1 1 63 63 ILE HA H 63 3.492 3.492 3.798 -0.306 25439 25905 1 35 . 1 1 63 63 ILE CA C 63 65.693 65.693 65.613 0.080 25439 25906 1 35 . 1 1 63 63 ILE CB C 63 38.023 38.023 38.247 -0.224 25439 25907 1 35 . 1 1 63 63 ILE H H 63 7.588 7.588 8.595 -1.007 25439 25908 1 35 . 1 1 64 64 TYR N N 64 120.485 120.485 121.270 -0.785 25439 25909 1 35 . 1 1 64 64 TYR HA H 64 4.577 4.577 4.318 0.259 25439 25910 1 35 . 1 1 64 64 TYR CA C 64 61.759 61.759 62.501 -0.742 25439 25911 1 35 . 1 1 64 64 TYR CB C 64 39.772 39.772 38.803 0.969 25439 25912 1 35 . 1 1 64 64 TYR H H 64 9.166 9.166 9.207 -0.041 25439 25913 1 35 . 1 1 65 65 THR N N 65 117.072 117.072 117.191 -0.119 25439 25914 1 35 . 1 1 65 65 THR HA H 65 3.562 3.562 4.050 -0.487 25439 25915 1 35 . 1 1 65 65 THR CA C 65 67.016 67.016 67.748 -0.731 25439 25916 1 35 . 1 1 65 65 THR CB C 65 68.711 68.711 68.906 -0.195 25439 25917 1 35 . 1 1 65 65 THR H H 65 8.987 8.987 8.913 0.074 25439 25918 1 35 . 1 1 66 66 LEU N N 66 122.107 122.107 120.462 1.645 25439 25919 1 35 . 1 1 66 66 LEU HA H 66 3.782 3.782 4.272 -0.490 25439 25920 1 35 . 1 1 66 66 LEU CA C 66 58.476 58.476 58.145 0.331 25439 25921 1 35 . 1 1 66 66 LEU CB C 66 43.183 43.183 40.914 2.269 25439 25922 1 35 . 1 1 66 66 LEU H H 66 8.286 8.286 7.747 0.539 25439 25923 1 35 . 1 1 67 67 TYR N N 67 115.264 115.264 119.360 -4.096 25439 25924 1 35 . 1 1 67 67 TYR HA H 67 4.344 4.344 4.067 0.277 25439 25925 1 35 . 1 1 67 67 TYR CA C 67 60.830 60.830 61.316 -0.486 25439 25926 1 35 . 1 1 67 67 TYR CB C 67 40.376 40.376 39.597 0.778 25439 25927 1 35 . 1 1 67 67 TYR H H 67 7.983 7.983 8.242 -0.259 25439 25928 1 35 . 1 1 68 68 TYR N N 68 113.945 113.945 116.324 -2.379 25439 25929 1 35 . 1 1 68 68 TYR HA H 68 3.699 3.699 4.200 -0.501 25439 25930 1 35 . 1 1 68 68 TYR CA C 68 62.030 62.030 59.807 2.223 25439 25931 1 35 . 1 1 68 68 TYR CB C 68 38.046 38.046 38.252 -0.206 25439 25932 1 35 . 1 1 68 68 TYR H H 68 8.297 8.297 8.279 0.018 25439 25933 1 35 . 1 1 69 69 LYS N N 69 114.346 114.346 118.272 -3.926 25439 25934 1 35 . 1 1 69 69 LYS HA H 69 4.564 4.564 4.374 0.190 25439 25935 1 35 . 1 1 69 69 LYS CA C 69 56.821 56.821 56.813 0.007 25439 25936 1 35 . 1 1 69 69 LYS CB C 69 31.980 31.980 33.641 -1.661 25439 25937 1 35 . 1 1 69 69 LYS H H 69 7.084 7.084 7.608 -0.524 25439 25938 1 35 . 1 1 70 70 ARG N N 70 114.676 114.676 119.904 -5.228 25439 25939 1 35 . 1 1 70 70 ARG HA H 70 4.251 4.251 4.173 0.078 25439 25940 1 35 . 1 1 70 70 ARG CA C 70 56.314 56.314 56.810 -0.496 25439 25941 1 35 . 1 1 70 70 ARG CB C 70 31.128 31.128 30.524 0.604 25439 25942 1 35 . 1 1 70 70 ARG H H 70 8.178 8.178 8.286 -0.108 25439 25943 1 35 . 1 1 71 71 LYS N N 71 115.371 115.371 115.040 0.331 25439 25944 1 35 . 1 1 71 71 LYS HA H 71 4.036 4.036 3.815 0.221 25439 25945 1 35 . 1 1 71 71 LYS CA C 71 57.121 57.121 57.308 -0.187 25439 25946 1 35 . 1 1 71 71 LYS CB C 71 28.897 28.897 29.818 -0.921 25439 25947 1 35 . 1 1 71 71 LYS H H 71 6.843 6.843 7.812 -0.969 25439 25948 1 35 . 1 1 72 72 ALA N N 72 117.701 117.701 121.465 -3.764 25439 25949 1 35 . 1 1 72 72 ALA HA H 72 4.395 4.395 4.473 -0.078 25439 25950 1 35 . 1 1 72 72 ALA CA C 72 52.597 52.597 51.709 0.888 25439 25951 1 35 . 1 1 72 72 ALA CB C 72 21.560 21.560 19.944 1.616 25439 25952 1 35 . 1 1 72 72 ALA H H 72 8.560 8.560 7.615 0.945 25439 25953 1 35 . 1 1 73 73 ILE N N 73 107.605 107.605 117.034 -9.429 25439 25954 1 35 . 1 1 73 73 ILE CB C 73 42.724 42.724 41.525 1.199 25439 25955 1 35 . 1 1 73 73 ILE H H 73 7.074 7.074 7.495 -0.421 25439 25956 1 35 . 1 1 74 74 SER N N 74 118.425 118.425 118.252 0.173 25439 25957 1 35 . 1 1 74 74 SER HA H 74 4.484 4.484 4.896 -0.412 25439 25958 1 35 . 1 1 74 74 SER CA C 74 57.082 57.082 57.111 -0.029 25439 25959 1 35 . 1 1 74 74 SER CB C 74 65.396 65.396 64.790 0.607 25439 25960 1 35 . 1 1 74 74 SER H H 74 8.797 8.797 8.519 0.278 25439 25961 1 35 . 1 1 75 75 LYS N N 75 121.891 121.891 124.886 -2.995 25439 25962 1 35 . 1 1 75 75 LYS HA H 75 3.851 3.851 4.164 -0.313 25439 25963 1 35 . 1 1 75 75 LYS CA C 75 59.624 59.624 60.002 -0.378 25439 25964 1 35 . 1 1 75 75 LYS CB C 75 32.368 32.368 32.458 -0.090 25439 25965 1 35 . 1 1 75 75 LYS H H 75 9.024 9.024 9.098 -0.074 25439 25966 1 35 . 1 1 76 76 ASP N N 76 115.908 115.908 118.684 -2.776 25439 25967 1 35 . 1 1 76 76 ASP HA H 76 4.423 4.423 4.404 0.019 25439 25968 1 35 . 1 1 76 76 ASP CA C 76 57.362 57.362 57.306 0.056 25439 25969 1 35 . 1 1 76 76 ASP CB C 76 40.391 40.391 40.223 0.168 25439 25970 1 35 . 1 1 76 76 ASP H H 76 8.161 8.161 8.507 -0.346 25439 25971 1 35 . 1 1 77 77 LEU N N 77 121.705 121.705 121.365 0.340 25439 25972 1 35 . 1 1 77 77 LEU HA H 77 4.180 4.180 4.125 0.055 25439 25973 1 35 . 1 1 77 77 LEU CA C 77 57.818 57.818 57.827 -0.009 25439 25974 1 35 . 1 1 77 77 LEU H H 77 8.345 8.345 7.747 0.598 25439 25975 1 35 . 1 1 78 78 TYR N N 78 121.511 121.511 119.877 1.634 25439 25976 1 35 . 1 1 78 78 TYR HA H 78 3.789 3.789 3.953 -0.164 25439 25977 1 35 . 1 1 78 78 TYR CA C 78 62.857 62.857 60.524 2.333 25439 25978 1 35 . 1 1 78 78 TYR CB C 78 38.369 38.369 37.665 0.704 25439 25979 1 35 . 1 1 78 78 TYR H H 78 8.598 8.598 8.621 -0.023 25439 25980 1 35 . 1 1 79 79 ASP N N 79 117.189 117.189 119.821 -2.632 25439 25981 1 35 . 1 1 79 79 ASP HA H 79 4.066 4.066 4.014 0.052 25439 25982 1 35 . 1 1 79 79 ASP CA C 79 57.219 57.219 57.778 -0.559 25439 25983 1 35 . 1 1 79 79 ASP CB C 79 40.003 40.003 40.790 -0.787 25439 25984 1 35 . 1 1 79 79 ASP H H 79 9.106 9.106 8.526 0.580 25439 25985 1 35 . 1 1 80 80 TRP N N 80 123.400 123.400 121.776 1.624 25439 25986 1 35 . 1 1 80 80 TRP HA H 80 4.160 4.160 4.087 0.073 25439 25987 1 35 . 1 1 80 80 TRP CA C 80 62.368 62.368 61.656 0.712 25439 25988 1 35 . 1 1 80 80 TRP CB C 80 29.969 29.969 29.416 0.552 25439 25989 1 35 . 1 1 80 80 TRP H H 80 7.931 7.931 8.424 -0.493 25439 25990 1 35 . 1 1 81 81 LEU N N 81 119.674 119.674 118.755 0.919 25439 25991 1 35 . 1 1 81 81 LEU HA H 81 3.971 3.971 2.627 1.344 25439 25992 1 35 . 1 1 81 81 LEU CA C 81 58.294 58.294 57.555 0.739 25439 25993 1 35 . 1 1 81 81 LEU CB C 81 41.818 41.818 41.512 0.306 25439 25994 1 35 . 1 1 81 81 LEU H H 81 8.814 8.814 8.182 0.632 25439 25995 1 35 . 1 1 82 82 ILE N N 82 118.746 118.746 118.918 -0.172 25439 25996 1 35 . 1 1 82 82 ILE HA H 82 3.861 3.861 3.861 -0.000 25439 25997 1 35 . 1 1 82 82 ILE CA C 82 62.734 62.734 63.985 -1.251 25439 25998 1 35 . 1 1 82 82 ILE CB C 82 36.236 36.236 37.917 -1.681 25439 25999 1 35 . 1 1 82 82 ILE H H 82 7.886 7.886 7.524 0.362 25439 26000 1 35 . 1 1 83 83 LYS N N 83 124.819 124.819 118.072 6.747 25439 26001 1 35 . 1 1 83 83 LYS HA H 83 3.911 3.911 4.119 -0.208 25439 26002 1 35 . 1 1 83 83 LYS CA C 83 59.643 59.643 57.314 2.329 25439 26003 1 35 . 1 1 83 83 LYS CB C 83 32.027 32.027 32.772 -0.745 25439 26004 1 35 . 1 1 83 83 LYS H H 83 8.224 8.224 7.529 0.695 25439 26005 1 35 . 1 1 84 84 GLU N N 84 115.404 115.404 117.904 -2.500 25439 26006 1 35 . 1 1 84 84 GLU HA H 84 3.841 3.841 4.229 -0.388 25439 26007 1 35 . 1 1 84 84 GLU CA C 84 55.582 55.582 55.121 0.461 25439 26008 1 35 . 1 1 84 84 GLU CB C 84 29.459 29.459 29.017 0.442 25439 26009 1 35 . 1 1 84 84 GLU H H 84 8.138 8.138 7.290 0.848 25439 26010 1 35 . 1 1 85 85 LYS N N 85 111.563 111.563 115.719 -4.156 25439 26011 1 35 . 1 1 85 85 LYS HA H 85 3.820 3.820 3.969 -0.149 25439 26012 1 35 . 1 1 85 85 LYS CA C 85 57.890 57.890 57.328 0.562 25439 26013 1 35 . 1 1 85 85 LYS CB C 85 28.005 28.005 29.170 -1.165 25439 26014 1 35 . 1 1 85 85 LYS H H 85 7.719 7.719 8.037 -0.318 25439 26015 1 35 . 1 1 86 86 TYR N N 86 116.916 116.916 118.963 -2.047 25439 26016 1 35 . 1 1 86 86 TYR HA H 86 4.137 4.137 4.400 -0.263 25439 26017 1 35 . 1 1 86 86 TYR CA C 86 61.228 61.228 59.305 1.923 25439 26018 1 35 . 1 1 86 86 TYR CB C 86 39.535 39.535 40.351 -0.816 25439 26019 1 35 . 1 1 86 86 TYR H H 86 8.521 8.521 7.936 0.585 25439 26020 1 35 . 1 1 87 87 ALA N N 87 113.715 113.715 118.385 -4.670 25439 26021 1 35 . 1 1 87 87 ALA HA H 87 4.738 4.738 4.452 0.286 25439 26022 1 35 . 1 1 87 87 ALA CA C 87 49.121 49.121 50.361 -1.240 25439 26023 1 35 . 1 1 87 87 ALA CB C 87 23.295 23.295 21.551 1.744 25439 26024 1 35 . 1 1 87 87 ALA H H 87 6.959 6.959 7.920 -0.961 25439 26025 1 35 . 1 1 88 88 ASP N N 88 119.344 119.344 118.711 0.633 25439 26026 1 35 . 1 1 88 88 ASP HA H 88 4.544 4.544 4.905 -0.361 25439 26027 1 35 . 1 1 88 88 ASP CA C 88 52.714 52.714 53.478 -0.764 25439 26028 1 35 . 1 1 88 88 ASP CB C 88 41.845 41.845 43.629 -1.784 25439 26029 1 35 . 1 1 88 88 ASP H H 88 7.870 7.870 8.512 -0.642 25439 26030 1 35 . 1 1 89 89 LYS N N 89 125.312 125.312 126.006 -0.694 25439 26031 1 35 . 1 1 89 89 LYS HA H 89 3.834 3.834 4.180 -0.346 25439 26032 1 35 . 1 1 89 89 LYS CA C 89 59.409 59.409 59.364 0.045 25439 26033 1 35 . 1 1 89 89 LYS CB C 89 32.848 32.848 32.754 0.094 25439 26034 1 35 . 1 1 89 89 LYS H H 89 8.467 8.467 8.745 -0.278 25439 26035 1 35 . 1 1 90 90 LEU N N 90 119.899 119.899 121.267 -1.368 25439 26036 1 35 . 1 1 90 90 LEU HA H 90 4.023 4.023 4.017 0.006 25439 26037 1 35 . 1 1 90 90 LEU CA C 90 57.049 57.049 58.065 -1.016 25439 26038 1 35 . 1 1 90 90 LEU CB C 90 41.099 41.099 41.692 -0.593 25439 26039 1 35 . 1 1 90 90 LEU H H 90 8.076 8.076 7.822 0.254 25439 26040 1 35 . 1 1 91 91 LEU N N 91 123.148 123.148 119.915 3.233 25439 26041 1 35 . 1 1 91 91 LEU HA H 91 3.498 3.498 3.742 -0.244 25439 26042 1 35 . 1 1 91 91 LEU CA C 91 56.971 56.971 57.797 -0.826 25439 26043 1 35 . 1 1 91 91 LEU CB C 91 41.823 41.823 41.624 0.199 25439 26044 1 35 . 1 1 91 91 LEU H H 91 7.120 7.120 7.849 -0.729 25439 26045 1 35 . 1 1 92 92 ILE N N 92 116.780 116.780 118.797 -2.017 25439 26046 1 35 . 1 1 92 92 ILE HA H 92 3.265 3.265 3.754 -0.489 25439 26047 1 35 . 1 1 92 92 ILE CA C 92 65.178 65.178 65.524 -0.346 25439 26048 1 35 . 1 1 92 92 ILE CB C 92 38.209 38.209 37.740 0.469 25439 26049 1 35 . 1 1 92 92 ILE H H 92 7.384 7.384 7.652 -0.268 25439 26050 1 35 . 1 1 93 93 ALA N N 93 117.061 117.061 122.429 -5.368 25439 26051 1 35 . 1 1 93 93 ALA HA H 93 3.930 3.930 4.000 -0.070 25439 26052 1 35 . 1 1 93 93 ALA CA C 93 54.839 54.839 55.583 -0.744 25439 26053 1 35 . 1 1 93 93 ALA CB C 93 18.125 18.125 18.093 0.032 25439 26054 1 35 . 1 1 93 93 ALA H H 93 7.437 7.437 8.793 -1.356 25439 26055 1 35 . 1 1 94 94 LYS N N 94 116.036 116.036 118.546 -2.510 25439 26056 1 35 . 1 1 94 94 LYS HA H 94 3.803 3.803 3.667 0.136 25439 26057 1 35 . 1 1 94 94 LYS CA C 94 56.945 56.945 58.468 -1.522 25439 26058 1 35 . 1 1 94 94 LYS CB C 94 31.047 31.047 31.623 -0.576 25439 26059 1 35 . 1 1 94 94 LYS H H 94 7.012 7.012 7.583 -0.571 25439 26060 1 35 . 1 1 95 95 TRP N N 95 118.700 118.700 117.087 1.613 25439 26061 1 35 . 1 1 95 95 TRP HA H 95 4.814 4.814 4.499 0.315 25439 26062 1 35 . 1 1 95 95 TRP CA C 95 57.136 57.136 59.024 -1.888 25439 26063 1 35 . 1 1 95 95 TRP CB C 95 28.171 28.171 28.968 -0.797 25439 26064 1 35 . 1 1 95 95 TRP H H 95 7.611 7.611 7.422 0.189 25439 26065 1 35 . 1 1 96 96 ARG N N 96 113.031 113.031 116.663 -3.632 25439 26066 1 35 . 1 1 96 96 ARG HA H 96 4.233 4.233 4.142 0.091 25439 26067 1 35 . 1 1 96 96 ARG CA C 96 56.234 56.234 58.352 -2.118 25439 26068 1 35 . 1 1 96 96 ARG CB C 96 30.245 30.245 30.398 -0.153 25439 26069 1 35 . 1 1 96 96 ARG H H 96 7.066 7.066 7.865 -0.799 25439 26070 1 35 . 1 1 97 97 LYS N N 97 123.252 123.252 118.789 4.463 25439 26071 1 35 . 1 1 97 97 LYS HA H 97 4.634 4.634 4.289 0.345 25439 26072 1 35 . 1 1 97 97 LYS CA C 97 54.937 54.937 57.145 -2.208 25439 26073 1 35 . 1 1 97 97 LYS CB C 97 34.166 34.166 32.848 1.318 25439 26074 1 35 . 1 1 97 97 LYS H H 97 8.467 8.467 7.954 0.513 25439 26075 1 35 . 1 1 98 98 THR N N 98 119.993 119.993 112.367 7.626 25439 26076 1 35 . 1 1 98 98 THR HA H 98 4.224 4.224 4.482 -0.258 25439 26077 1 35 . 1 1 98 98 THR CA C 98 64.670 64.670 61.954 2.716 25439 26078 1 35 . 1 1 98 98 THR CB C 98 69.200 69.200 69.248 -0.048 25439 26079 1 35 . 1 1 98 98 THR H H 98 8.329 8.329 8.268 0.061 25439 26080 1 35 . 1 1 99 99 GLY N N 99 116.645 116.645 113.375 3.270 25439 26081 1 35 . 1 1 99 99 GLY CA C 99 45.047 45.047 44.935 0.112 25439 26082 1 35 . 1 1 99 99 GLY H H 99 9.273 9.273 8.922 0.351 25439 26083 1 35 . 1 1 100 100 TYR N N 100 120.784 120.784 119.498 1.286 25439 26084 1 35 . 1 1 100 100 TYR HA H 100 4.704 4.704 4.709 -0.005 25439 26085 1 35 . 1 1 100 100 TYR CA C 100 57.697 57.697 55.831 1.865 25439 26086 1 35 . 1 1 100 100 TYR CB C 100 39.413 39.413 37.464 1.949 25439 26087 1 35 . 1 1 100 100 TYR H H 100 8.457 8.457 8.174 0.283 25439 26088 1 35 . 1 1 101 101 GLU N N 101 119.482 119.482 120.937 -1.455 25439 26089 1 35 . 1 1 101 101 GLU HA H 101 4.601 4.601 4.146 0.455 25439 26090 1 35 . 1 1 101 101 GLU CA C 101 61.207 61.207 58.783 2.424 25439 26091 1 35 . 1 1 101 101 GLU CB C 101 29.648 29.648 29.888 -0.240 25439 26092 1 35 . 1 1 101 101 GLU H H 101 9.836 9.836 8.569 1.267 25439 26093 1 35 . 1 1 102 102 LYS N N 102 115.179 115.179 120.135 -4.956 25439 26094 1 35 . 1 1 102 102 LYS HA H 102 4.295 4.295 4.533 -0.238 25439 26095 1 35 . 1 1 102 102 LYS CA C 102 54.207 54.207 55.447 -1.240 25439 26096 1 35 . 1 1 102 102 LYS CB C 102 32.489 32.489 32.992 -0.503 25439 26097 1 35 . 1 1 102 102 LYS H H 102 8.291 8.291 7.883 0.408 25439 26098 1 35 . 1 1 103 103 LEU N N 103 119.637 119.637 124.327 -4.690 25439 26099 1 35 . 1 1 103 103 LEU HA H 103 4.385 4.385 4.941 -0.556 25439 26100 1 35 . 1 1 103 103 LEU CA C 103 56.549 56.549 54.465 2.084 25439 26101 1 35 . 1 1 103 103 LEU CB C 103 43.864 43.864 44.941 -1.077 25439 26102 1 35 . 1 1 103 103 LEU H H 103 7.642 7.642 8.438 -0.796 25439 26103 1 35 . 1 1 104 104 CYS N N 104 129.651 129.651 120.664 8.987 25439 26104 1 35 . 1 1 104 104 CYS HA H 104 4.498 4.498 5.018 -0.520 25439 26105 1 35 . 1 1 104 104 CYS CA C 104 58.076 58.076 58.550 -0.473 25439 26106 1 35 . 1 1 104 104 CYS CB C 104 32.301 32.301 28.575 3.726 25439 26107 1 35 . 1 1 104 104 CYS H H 104 8.638 8.638 8.929 -0.291 25439 26108 1 35 . 1 1 105 105 CYS N N 105 120.206 120.206 118.365 1.841 25439 26109 1 35 . 1 1 105 105 CYS HA H 105 4.806 4.806 4.798 0.008 25439 26110 1 35 . 1 1 105 105 CYS CA C 105 58.271 58.271 56.931 1.340 25439 26111 1 35 . 1 1 105 105 CYS CB C 105 32.062 32.062 30.018 2.044 25439 26112 1 35 . 1 1 105 105 CYS H H 105 8.158 8.158 8.063 0.095 25439 26113 1 35 . 1 1 106 106 LEU N N 106 115.513 115.513 120.821 -5.308 25439 26114 1 35 . 1 1 106 106 LEU HA H 106 4.054 4.054 4.219 -0.165 25439 26115 1 35 . 1 1 106 106 LEU CA C 106 56.110 56.110 56.546 -0.436 25439 26116 1 35 . 1 1 106 106 LEU CB C 106 41.227 41.227 42.362 -1.135 25439 26117 1 35 . 1 1 106 106 LEU H H 106 8.466 8.466 8.180 0.286 25439 26118 1 35 . 1 1 107 107 ARG N N 107 122.711 122.711 118.666 4.045 25439 26119 1 35 . 1 1 107 107 ARG HA H 107 3.993 3.993 4.304 -0.311 25439 26120 1 35 . 1 1 107 107 ARG CA C 107 58.311 58.311 56.514 1.797 25439 26121 1 35 . 1 1 107 107 ARG CB C 107 28.965 28.965 29.558 -0.593 25439 26122 1 35 . 1 1 107 107 ARG H H 107 8.131 8.131 8.175 -0.044 25439 26123 1 35 . 1 1 108 108 CYS N N 108 119.055 119.055 117.695 1.360 25439 26124 1 35 . 1 1 108 108 CYS HA H 108 4.101 4.101 4.726 -0.625 25439 26125 1 35 . 1 1 108 108 CYS CA C 108 63.936 63.936 57.490 6.446 25439 26126 1 35 . 1 1 108 108 CYS CB C 108 30.934 30.934 27.510 3.424 25439 26127 1 35 . 1 1 108 108 CYS H H 108 8.010 8.010 7.913 0.097 25439 26128 1 35 . 1 1 109 109 ILE N N 109 107.315 107.315 113.805 -6.490 25439 26129 1 35 . 1 1 109 109 ILE HA H 109 4.684 4.684 4.468 0.216 25439 26130 1 35 . 1 1 109 109 ILE CA C 109 60.483 60.483 61.177 -0.694 25439 26131 1 35 . 1 1 109 109 ILE CB C 109 38.320 38.320 38.651 -0.331 25439 26132 1 35 . 1 1 109 109 ILE H H 109 7.105 7.105 7.523 -0.418 25439 26133 1 35 . 1 1 110 110 GLN N N 110 122.468 122.468 119.867 2.601 25439 26134 1 35 . 1 1 110 110 GLN HA H 110 4.268 4.268 4.693 -0.425 25439 26135 1 35 . 1 1 110 110 GLN CA C 110 55.981 55.981 54.780 1.201 25439 26136 1 35 . 1 1 110 110 GLN CB C 110 29.656 29.656 32.254 -2.598 25439 26137 1 35 . 1 1 110 110 GLN H H 110 7.156 7.156 7.863 -0.707 25439 26138 1 35 . 1 1 111 111 LYS N N 111 124.650 124.650 122.145 2.505 25439 26139 1 35 . 1 1 111 111 LYS HA H 111 4.246 4.246 4.353 -0.107 25439 26140 1 35 . 1 1 111 111 LYS CA C 111 56.546 56.546 56.459 0.087 25439 26141 1 35 . 1 1 111 111 LYS CB C 111 32.846 32.846 33.711 -0.865 25439 26142 1 35 . 1 1 111 111 LYS H H 111 8.522 8.522 8.725 -0.203 25439 26143 1 35 . 1 1 112 112 ASN N N 112 120.972 120.972 115.175 5.797 25439 26144 1 35 . 1 1 112 112 ASN HA H 112 4.778 4.778 4.422 0.356 25439 26145 1 35 . 1 1 112 112 ASN CA C 112 52.902 52.902 54.497 -1.595 25439 26146 1 35 . 1 1 112 112 ASN CB C 112 39.328 39.328 37.259 2.069 25439 26147 1 35 . 1 1 112 112 ASN H H 112 8.360 8.360 8.561 -0.201 25439 26148 1 35 . 1 1 113 113 GLU N N 113 121.710 121.710 116.734 4.976 25439 26149 1 35 . 1 1 113 113 GLU HA H 113 4.248 4.248 4.592 -0.344 25439 26150 1 35 . 1 1 113 113 GLU CA C 113 58.611 58.611 55.356 3.255 25439 26151 1 35 . 1 1 113 113 GLU CB C 113 29.590 29.590 32.481 -2.892 25439 26152 1 35 . 1 1 113 113 GLU H H 113 9.023 9.023 8.132 0.891 25439 26153 1 35 . 1 1 114 114 THR N N 114 112.186 112.186 114.115 -1.929 25439 26154 1 35 . 1 1 114 114 THR HA H 114 4.321 4.321 4.698 -0.377 25439 26155 1 35 . 1 1 114 114 THR CA C 114 63.161 63.161 61.093 2.068 25439 26156 1 35 . 1 1 114 114 THR CB C 114 69.481 69.481 70.544 -1.063 25439 26157 1 35 . 1 1 114 114 THR H H 114 8.112 8.112 8.651 -0.539 25439 26158 1 35 . 1 1 115 115 ASN N N 115 119.112 119.112 121.354 -2.242 25439 26159 1 35 . 1 1 115 115 ASN HA H 115 4.829 4.829 4.304 0.525 25439 26160 1 35 . 1 1 115 115 ASN CA C 115 53.110 53.110 55.751 -2.641 25439 26161 1 35 . 1 1 115 115 ASN CB C 115 38.659 38.659 37.882 0.777 25439 26162 1 35 . 1 1 115 115 ASN H H 115 8.047 8.047 9.000 -0.953 25439 26163 1 35 . 1 1 116 116 ASN N N 116 117.175 117.175 120.532 -3.357 25439 26164 1 35 . 1 1 116 116 ASN HA H 116 4.615 4.615 4.901 -0.286 25439 26165 1 35 . 1 1 116 116 ASN CA C 116 53.965 53.965 52.736 1.230 25439 26166 1 35 . 1 1 116 116 ASN CB C 116 38.173 38.173 39.956 -1.783 25439 26167 1 35 . 1 1 116 116 ASN H H 116 8.364 8.364 8.478 -0.114 25439 26168 1 35 . 1 1 117 117 GLY N N 117 107.294 107.294 109.676 -2.382 25439 26169 1 35 . 1 1 117 117 GLY CA C 117 45.882 45.882 44.577 1.305 25439 26170 1 35 . 1 1 117 117 GLY H H 117 8.264 8.264 8.406 -0.142 25439 26171 1 35 . 1 1 118 118 SER N N 118 115.475 115.475 118.498 -3.023 25439 26172 1 35 . 1 1 118 118 SER HA H 118 4.586 4.586 4.797 -0.211 25439 26173 1 35 . 1 1 118 118 SER CA C 118 57.974 57.974 57.905 0.069 25439 26174 1 35 . 1 1 118 118 SER CB C 118 64.479 64.479 62.792 1.687 25439 26175 1 35 . 1 1 118 118 SER H H 118 7.905 7.905 8.288 -0.383 25439 26176 1 35 . 1 1 119 119 THR N N 119 111.360 111.360 116.900 -5.540 25439 26177 1 35 . 1 1 119 119 THR HA H 119 4.450 4.450 4.755 -0.305 25439 26178 1 35 . 1 1 119 119 THR CA C 119 61.215 61.215 60.712 0.503 25439 26179 1 35 . 1 1 119 119 THR CB C 119 70.569 70.569 71.635 -1.066 25439 26180 1 35 . 1 1 119 119 THR H H 119 8.044 8.044 7.758 0.286 25439 26181 1 35 . 1 1 120 120 CYS N N 120 122.708 122.708 120.954 1.754 25439 26182 1 35 . 1 1 120 120 CYS HA H 120 4.255 4.255 4.795 -0.540 25439 26183 1 35 . 1 1 120 120 CYS CA C 120 61.469 61.469 57.838 3.631 25439 26184 1 35 . 1 1 120 120 CYS CB C 120 30.892 30.892 28.956 1.936 25439 26185 1 35 . 1 1 120 120 CYS H H 120 8.045 8.045 8.536 -0.491 25439 26186 1 35 . 1 1 121 121 ILE N N 121 132.463 132.463 123.449 9.014 25439 26187 1 35 . 1 1 121 121 ILE HA H 121 4.025 4.025 3.907 0.118 25439 26188 1 35 . 1 1 121 121 ILE CA C 121 63.353 63.353 63.166 0.187 25439 26189 1 35 . 1 1 121 121 ILE CB C 121 38.222 38.222 38.392 -0.169 25439 26190 1 35 . 1 1 121 121 ILE H H 121 8.237 8.237 8.422 -0.185 25439 26191 1 35 . 1 1 122 122 CYS N N 122 123.931 123.931 118.194 5.737 25439 26192 1 35 . 1 1 122 122 CYS HA H 122 4.233 4.233 3.499 0.734 25439 26193 1 35 . 1 1 122 122 CYS CA C 122 60.230 60.230 60.545 -0.315 25439 26194 1 35 . 1 1 122 122 CYS CB C 122 30.602 30.602 25.638 4.964 25439 26195 1 35 . 1 1 122 122 CYS H H 122 9.355 9.355 7.651 1.704 25439 26196 1 35 . 1 1 123 123 ARG N N 123 119.561 119.561 121.154 -1.593 25439 26197 1 35 . 1 1 123 123 ARG HA H 123 4.150 4.150 4.372 -0.222 25439 26198 1 35 . 1 1 123 123 ARG CA C 123 53.177 53.177 58.151 -4.974 25439 26199 1 35 . 1 1 123 123 ARG CB C 123 27.961 27.961 30.240 -2.279 25439 26200 1 35 . 1 1 123 123 ARG H H 123 7.677 7.677 7.839 -0.162 25439 26201 1 35 . 1 1 124 124 VAL N N 124 122.794 122.794 122.291 0.503 25439 26202 1 35 . 1 1 124 124 VAL HA H 124 4.081 4.081 4.025 0.056 25439 26203 1 35 . 1 1 124 124 VAL CA C 124 60.647 60.647 59.957 0.690 25439 26204 1 35 . 1 1 124 124 VAL CB C 124 32.857 32.857 30.450 2.407 25439 26205 1 35 . 1 1 124 124 VAL H H 124 7.578 7.578 7.596 -0.018 25439 26206 1 35 . 1 1 125 125 PRO HA H 125 4.263 4.263 4.525 -0.262 25439 26207 1 35 . 1 1 125 125 PRO CA C 125 63.268 63.268 62.406 0.862 25439 26208 1 35 . 1 1 125 125 PRO CB C 125 32.379 32.379 32.851 -0.472 25439 26209 1 35 . 1 1 126 126 ARG N N 126 128.350 128.350 120.876 7.474 25439 26210 1 35 . 1 1 126 126 ARG HA H 126 3.912 3.912 4.090 -0.178 25439 26211 1 35 . 1 1 126 126 ARG CA C 126 59.653 59.653 59.005 0.648 25439 26212 1 35 . 1 1 126 126 ARG CB C 126 29.339 29.339 29.378 -0.039 25439 26213 1 35 . 1 1 126 126 ARG H H 126 9.534 9.534 8.795 0.739 25439 26214 1 35 . 1 1 127 127 ALA N N 127 119.169 119.169 121.883 -2.714 25439 26215 1 35 . 1 1 127 127 ALA HA H 127 4.192 4.192 4.108 0.084 25439 26216 1 35 . 1 1 127 127 ALA CA C 127 55.227 55.227 54.961 0.266 25439 26217 1 35 . 1 1 127 127 ALA CB C 127 18.363 18.363 18.000 0.363 25439 26218 1 35 . 1 1 127 127 ALA H H 127 9.263 9.263 8.453 0.810 25439 26219 1 35 . 1 1 128 128 GLN N N 128 117.345 117.345 118.502 -1.157 25439 26220 1 35 . 1 1 128 128 GLN HA H 128 4.209 4.209 4.084 0.125 25439 26221 1 35 . 1 1 128 128 GLN CA C 128 58.506 58.506 58.931 -0.425 25439 26222 1 35 . 1 1 128 128 GLN CB C 128 28.220 28.220 28.346 -0.126 25439 26223 1 35 . 1 1 128 128 GLN H H 128 7.448 7.448 8.424 -0.976 25439 26224 1 35 . 1 1 129 129 LEU N N 129 120.561 120.561 120.284 0.277 25439 26225 1 35 . 1 1 129 129 LEU HA H 129 4.088 4.088 3.947 0.141 25439 26226 1 35 . 1 1 129 129 LEU CA C 129 57.952 57.952 57.893 0.059 25439 26227 1 35 . 1 1 129 129 LEU CB C 129 41.817 41.817 41.779 0.038 25439 26228 1 35 . 1 1 129 129 LEU H H 129 7.622 7.622 7.583 0.039 25439 26229 1 35 . 1 1 130 130 GLU N N 130 119.122 119.122 118.819 0.303 25439 26230 1 35 . 1 1 130 130 GLU HA H 130 3.956 3.956 3.959 -0.003 25439 26231 1 35 . 1 1 130 130 GLU CA C 130 59.353 59.353 59.985 -0.632 25439 26232 1 35 . 1 1 130 130 GLU CB C 130 29.337 29.337 29.237 0.100 25439 26233 1 35 . 1 1 130 130 GLU H H 130 8.656 8.656 8.438 0.218 25439 26234 1 35 . 1 1 131 131 GLU N N 131 121.469 121.469 119.534 1.935 25439 26235 1 35 . 1 1 131 131 GLU HA H 131 4.163 4.163 4.056 0.107 25439 26236 1 35 . 1 1 131 131 GLU CA C 131 59.288 59.288 59.430 -0.142 25439 26237 1 35 . 1 1 131 131 GLU CB C 131 29.422 29.422 29.309 0.113 25439 26238 1 35 . 1 1 131 131 GLU H H 131 7.922 7.922 7.899 0.023 25439 26239 1 35 . 1 1 132 132 GLU N N 132 119.241 119.241 119.915 -0.674 25439 26240 1 35 . 1 1 132 132 GLU HA H 132 3.998 3.998 4.031 -0.033 25439 26241 1 35 . 1 1 132 132 GLU CA C 132 59.327 59.327 59.171 0.156 25439 26242 1 35 . 1 1 132 132 GLU CB C 132 29.421 29.421 29.633 -0.211 25439 26243 1 35 . 1 1 132 132 GLU H H 132 8.099 8.099 7.682 0.417 25439 26244 1 35 . 1 1 133 133 ALA N N 133 121.302 121.302 121.897 -0.595 25439 26245 1 35 . 1 1 133 133 ALA HA H 133 4.053 4.053 4.111 -0.058 25439 26246 1 35 . 1 1 133 133 ALA CA C 133 54.973 54.973 55.042 -0.069 25439 26247 1 35 . 1 1 133 133 ALA CB C 133 18.154 18.154 18.380 -0.226 25439 26248 1 35 . 1 1 133 133 ALA H H 133 7.795 7.795 7.897 -0.102 25439 26249 1 35 . 1 1 134 134 ARG N N 134 118.757 118.757 118.500 0.257 25439 26250 1 35 . 1 1 134 134 ARG HA H 134 4.143 4.143 4.075 0.068 25439 26251 1 35 . 1 1 134 134 ARG CA C 134 59.438 59.438 59.155 0.283 25439 26252 1 35 . 1 1 134 134 ARG CB C 134 30.148 30.148 30.217 -0.069 25439 26253 1 35 . 1 1 134 134 ARG H H 134 8.145 8.145 8.106 0.039 25439 26254 1 35 . 1 1 135 135 LYS N N 135 119.496 119.496 119.196 0.300 25439 26255 1 35 . 1 1 135 135 LYS HA H 135 4.073 4.073 4.198 -0.125 25439 26256 1 35 . 1 1 135 135 LYS CA C 135 59.327 59.327 58.613 0.714 25439 26257 1 35 . 1 1 135 135 LYS CB C 135 32.539 32.539 32.643 -0.104 25439 26258 1 35 . 1 1 135 135 LYS H H 135 8.036 8.036 7.604 0.432 25439 26259 1 35 . 1 1 136 136 LYS N N 136 116.645 116.645 117.974 -1.329 25439 26260 1 35 . 1 1 136 136 LYS HA H 136 4.362 4.362 4.438 -0.076 25439 26261 1 35 . 1 1 136 136 LYS CA C 136 56.575 56.575 55.493 1.082 25439 26262 1 35 . 1 1 136 136 LYS CB C 136 33.629 33.629 32.444 1.185 25439 26263 1 35 . 1 1 136 136 LYS H H 136 7.682 7.682 7.508 0.174 25439 26264 1 35 . 1 1 137 137 GLY N N 137 109.349 109.349 109.372 -0.023 25439 26265 1 35 . 1 1 137 137 GLY CA C 137 46.358 46.358 46.245 0.113 25439 26266 1 35 . 1 1 137 137 GLY H H 137 8.064 8.064 7.834 0.230 25439 26267 1 35 . 1 1 138 138 THR N N 138 112.870 112.870 113.642 -0.772 25439 26268 1 35 . 1 1 138 138 THR HA H 138 4.735 4.735 4.693 0.042 25439 26269 1 35 . 1 1 138 138 THR CA C 138 59.308 59.308 60.404 -1.097 25439 26270 1 35 . 1 1 138 138 THR CB C 138 70.755 70.755 70.872 -0.117 25439 26271 1 35 . 1 1 138 138 THR H H 138 8.111 8.111 8.102 0.009 25439 26272 1 35 . 1 1 139 139 GLN N N 139 118.177 118.177 119.854 -1.677 25439 26273 1 35 . 1 1 139 139 GLN HA H 139 4.609 4.609 4.601 0.008 25439 26274 1 35 . 1 1 139 139 GLN CA C 139 54.435 54.435 54.993 -0.558 25439 26275 1 35 . 1 1 139 139 GLN CB C 139 30.777 30.777 31.659 -0.882 25439 26276 1 35 . 1 1 139 139 GLN H H 139 8.227 8.227 8.242 -0.015 25439 26277 1 35 . 1 1 140 140 VAL N N 140 123.601 123.601 119.311 4.290 25439 26278 1 35 . 1 1 140 140 VAL HA H 140 3.790 3.790 4.523 -0.733 25439 26279 1 35 . 1 1 140 140 VAL CA C 140 63.934 63.934 61.865 2.069 25439 26280 1 35 . 1 1 140 140 VAL CB C 140 32.154 32.154 34.094 -1.940 25439 26281 1 35 . 1 1 140 140 VAL H H 140 8.839 8.839 8.610 0.229 25439 26282 1 35 . 1 1 141 141 SER HA H 141 4.524 4.524 4.708 -0.184 25439 26283 1 35 . 1 1 141 141 SER CA C 141 57.841 57.841 58.048 -0.207 25439 26284 1 35 . 1 1 141 141 SER CB C 141 64.174 64.174 64.138 0.036 25439 26285 1 35 . 1 1 142 142 PHE N N 142 123.726 123.726 126.139 -2.413 25439 26286 1 35 . 1 1 142 142 PHE HA H 142 4.458 4.458 4.893 -0.435 25439 26287 1 35 . 1 1 142 142 PHE CA C 142 58.673 58.673 57.761 0.912 25439 26288 1 35 . 1 1 142 142 PHE CB C 142 40.055 40.055 41.005 -0.950 25439 26289 1 35 . 1 1 142 142 PHE H H 142 7.534 7.534 8.459 -0.925 25439 26290 1 35 . 1 1 143 143 HIS N N 143 126.548 126.548 120.199 6.349 25439 26291 1 35 . 1 1 143 143 HIS HA H 143 4.336 4.336 4.521 -0.185 25439 26292 1 35 . 1 1 143 143 HIS CA C 143 56.837 56.837 55.577 1.260 25439 26293 1 35 . 1 1 143 143 HIS CB C 143 31.949 31.949 31.307 0.642 25439 26294 1 35 . 1 1 143 143 HIS H H 143 8.308 8.308 7.178 1.130 25439 26295 1 35 . 1 1 144 144 GLN N N 144 115.094 115.094 115.701 -0.607 25439 26296 1 35 . 1 1 144 144 GLN HA H 144 4.433 4.433 4.632 -0.199 25439 26297 1 35 . 1 1 144 144 GLN CA C 144 54.210 54.210 53.420 0.790 25439 26298 1 35 . 1 1 144 144 GLN CB C 144 32.925 32.925 31.885 1.040 25439 26299 1 35 . 1 1 144 144 GLN H H 144 7.203 7.203 6.837 0.366 25439 26300 1 35 . 1 1 145 145 CYS N N 145 123.088 123.088 118.682 4.406 25439 26301 1 35 . 1 1 145 145 CYS HA H 145 4.961 4.961 4.891 0.070 25439 26302 1 35 . 1 1 145 145 CYS CA C 145 57.978 57.978 56.858 1.119 25439 26303 1 35 . 1 1 145 145 CYS CB C 145 33.555 33.555 30.180 3.375 25439 26304 1 35 . 1 1 145 145 CYS H H 145 8.668 8.668 8.522 0.146 25439 26305 1 35 . 1 1 146 146 VAL N N 146 113.265 113.265 121.280 -8.015 25439 26306 1 35 . 1 1 146 146 VAL HA H 146 4.238 4.238 4.165 0.073 25439 26307 1 35 . 1 1 146 146 VAL CA C 146 64.001 64.001 65.251 -1.250 25439 26308 1 35 . 1 1 146 146 VAL CB C 146 32.157 32.157 32.183 -0.026 25439 26309 1 35 . 1 1 146 146 VAL H H 146 8.198 8.198 8.476 -0.278 25439 26310 1 35 . 1 1 147 147 HIS N N 147 120.556 120.556 117.927 2.629 25439 26311 1 35 . 1 1 147 147 HIS HA H 147 4.604 4.604 4.311 0.293 25439 26312 1 35 . 1 1 147 147 HIS CA C 147 58.708 58.708 58.339 0.369 25439 26313 1 35 . 1 1 147 147 HIS CB C 147 32.204 32.204 29.253 2.951 25439 26314 1 35 . 1 1 147 147 HIS H H 147 7.151 7.151 8.414 -1.263 25439 26315 1 35 . 1 1 148 148 CYS N N 148 112.110 112.110 112.006 0.104 25439 26316 1 35 . 1 1 148 148 CYS HA H 148 4.889 4.889 4.636 0.253 25439 26317 1 35 . 1 1 148 148 CYS CA C 148 57.952 57.952 55.734 2.218 25439 26318 1 35 . 1 1 148 148 CYS CB C 148 32.956 32.956 30.077 2.879 25439 26319 1 35 . 1 1 148 148 CYS H H 148 7.413 7.413 7.164 0.249 25439 26320 1 35 . 1 1 149 149 GLY N N 149 112.797 112.797 108.211 4.586 25439 26321 1 35 . 1 1 149 149 GLY CA C 149 45.327 45.327 44.358 0.969 25439 26322 1 35 . 1 1 149 149 GLY H H 149 6.949 6.949 8.255 -1.306 25439 26323 1 35 . 1 1 150 150 CYS N N 150 127.277 127.277 120.171 7.106 25439 26324 1 35 . 1 1 150 150 CYS HA H 150 3.932 3.932 4.559 -0.627 25439 26325 1 35 . 1 1 150 150 CYS CA C 150 61.362 61.362 57.157 4.205 25439 26326 1 35 . 1 1 150 150 CYS CB C 150 30.632 30.632 29.515 1.117 25439 26327 1 35 . 1 1 150 150 CYS H H 150 8.240 8.240 7.138 1.102 25439 26328 1 35 . 1 1 151 151 ARG N N 151 125.476 125.476 127.371 -1.895 25439 26329 1 35 . 1 1 151 151 ARG HA H 151 4.775 4.775 4.322 0.453 25439 26330 1 35 . 1 1 151 151 ARG CA C 151 56.164 56.164 54.896 1.268 25439 26331 1 35 . 1 1 151 151 ARG CB C 151 30.354 30.354 29.102 1.252 25439 26332 1 35 . 1 1 151 151 ARG H H 151 8.492 8.492 8.607 -0.115 25439 26333 1 35 . 1 1 152 152 GLY N N 152 117.275 117.275 108.444 8.831 25439 26334 1 35 . 1 1 152 152 GLY CA C 152 45.523 45.523 45.378 0.145 25439 26335 1 35 . 1 1 152 152 GLY H H 152 9.812 9.812 7.802 2.010 25439 26336 1 35 . 1 1 153 153 CYS N N 153 126.187 126.187 118.776 7.411 25439 26337 1 35 . 1 1 153 153 CYS HA H 153 4.842 4.842 4.806 0.036 25439 26338 1 35 . 1 1 153 153 CYS CA C 153 57.130 57.130 55.754 1.376 25439 26339 1 35 . 1 1 153 153 CYS CB C 153 31.368 31.368 27.923 3.445 25439 26340 1 35 . 1 1 153 153 CYS H H 153 8.930 8.930 8.188 0.742 25439 26341 1 35 . 1 1 154 154 ALA N N 154 125.869 125.869 126.464 -0.595 25439 26342 1 35 . 1 1 154 154 ALA HA H 154 4.159 4.159 5.013 -0.854 25439 26343 1 35 . 1 1 154 154 ALA CA C 154 53.187 53.187 51.313 1.874 25439 26344 1 35 . 1 1 154 154 ALA CB C 154 18.937 18.937 21.079 -2.142 25439 26345 1 35 . 1 1 154 154 ALA H H 154 8.616 8.616 8.519 0.097 25439 26346 1 35 . 1 1 155 155 SER N N 155 116.724 116.724 118.411 -1.687 25439 26347 1 35 . 1 1 155 155 SER HA H 155 4.283 4.283 4.409 -0.126 25439 26348 1 35 . 1 1 155 155 SER CA C 155 60.136 60.136 59.726 0.410 25439 26349 1 35 . 1 1 155 155 SER CB C 155 63.575 63.575 64.114 -0.539 25439 26350 1 35 . 1 1 155 155 SER H H 155 9.358 9.358 8.734 0.624 25439 26351 1 35 . 1 1 156 156 THR N N 156 111.893 111.893 115.236 -3.343 25439 26352 1 35 . 1 1 156 156 THR HA H 156 4.358 4.358 4.078 0.280 25439 26353 1 35 . 1 1 156 156 THR CA C 156 61.264 61.264 63.938 -2.674 25439 26354 1 35 . 1 1 156 156 THR CB C 156 69.999 69.999 68.982 1.017 25439 26355 1 35 . 1 1 156 156 THR H H 156 7.638 7.638 8.193 -0.555 25439 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 150 3.259 -0.288 3.257 25439 2 1 1 "Average Difference" HA 163 0.331 0.050 0.328 25439 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25439 4 1 1 "Average Difference" CA 156 1.392 -0.279 1.368 25439 5 1 1 "Average Difference" CB 148 1.240 -0.139 1.237 25439 6 1 1 "Average Difference" HN 150 0.586 -0.100 0.580 25439 7 1 2 "Average Difference" N 150 3.244 -0.499 3.216 25439 8 1 2 "Average Difference" HA 163 0.320 0.044 0.318 25439 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25439 10 1 2 "Average Difference" CA 156 1.343 -0.261 1.322 25439 11 1 2 "Average Difference" CB 148 1.188 -0.149 1.182 25439 12 1 2 "Average Difference" HN 150 0.579 -0.100 0.572 25439 13 1 3 "Average Difference" N 150 3.317 -0.165 3.324 25439 14 1 3 "Average Difference" HA 163 0.308 0.029 0.308 25439 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25439 16 1 3 "Average Difference" CA 156 1.368 -0.281 1.343 25439 17 1 3 "Average Difference" CB 148 1.273 -0.169 1.266 25439 18 1 3 "Average Difference" HN 150 0.601 -0.118 0.591 25439 19 1 4 "Average Difference" N 150 3.286 -0.253 3.287 25439 20 1 4 "Average Difference" HA 163 0.339 0.042 0.337 25439 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25439 22 1 4 "Average Difference" CA 156 1.348 -0.279 1.323 25439 23 1 4 "Average Difference" CB 148 1.250 -0.153 1.245 25439 24 1 4 "Average Difference" HN 150 0.586 -0.119 0.576 25439 25 1 5 "Average Difference" N 150 3.428 -0.336 3.423 25439 26 1 5 "Average Difference" HA 163 0.338 0.032 0.337 25439 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25439 28 1 5 "Average Difference" CA 156 1.292 -0.210 1.279 25439 29 1 5 "Average Difference" CB 148 1.190 -0.151 1.184 25439 30 1 5 "Average Difference" HN 150 0.586 -0.090 0.581 25439 31 1 6 "Average Difference" N 150 3.269 -0.412 3.254 25439 32 1 6 "Average Difference" HA 163 0.326 0.033 0.325 25439 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25439 34 1 6 "Average Difference" CA 156 1.380 -0.246 1.362 25439 35 1 6 "Average Difference" CB 148 1.226 -0.173 1.218 25439 36 1 6 "Average Difference" HN 150 0.600 -0.115 0.591 25439 37 1 7 "Average Difference" N 150 3.303 -0.375 3.292 25439 38 1 7 "Average Difference" HA 163 0.322 0.032 0.322 25439 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25439 40 1 7 "Average Difference" CA 156 1.371 -0.272 1.348 25439 41 1 7 "Average Difference" CB 148 1.265 -0.147 1.260 25439 42 1 7 "Average Difference" HN 150 0.590 -0.104 0.583 25439 43 1 8 "Average Difference" N 150 3.311 -0.262 3.311 25439 44 1 8 "Average Difference" HA 163 0.329 0.038 0.328 25439 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25439 46 1 8 "Average Difference" CA 156 1.409 -0.228 1.395 25439 47 1 8 "Average Difference" CB 148 1.236 -0.151 1.231 25439 48 1 8 "Average Difference" HN 150 0.583 -0.097 0.577 25439 49 1 9 "Average Difference" N 150 3.460 -0.181 3.467 25439 50 1 9 "Average Difference" HA 163 0.330 0.035 0.329 25439 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25439 52 1 9 "Average Difference" CA 156 1.306 -0.232 1.289 25439 53 1 9 "Average Difference" CB 148 1.200 -0.168 1.193 25439 54 1 9 "Average Difference" HN 150 0.577 -0.067 0.575 25439 55 1 10 "Average Difference" N 150 3.350 -0.484 3.327 25439 56 1 10 "Average Difference" HA 163 0.331 0.023 0.332 25439 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25439 58 1 10 "Average Difference" CA 156 1.345 -0.255 1.325 25439 59 1 10 "Average Difference" CB 148 1.190 -0.180 1.181 25439 60 1 10 "Average Difference" HN 150 0.577 -0.103 0.570 25439 61 1 11 "Average Difference" N 150 3.411 -0.376 3.401 25439 62 1 11 "Average Difference" HA 163 0.325 0.028 0.325 25439 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25439 64 1 11 "Average Difference" CA 156 1.403 -0.222 1.390 25439 65 1 11 "Average Difference" CB 148 1.198 -0.189 1.187 25439 66 1 11 "Average Difference" HN 150 0.570 -0.103 0.563 25439 67 1 12 "Average Difference" N 150 3.356 -0.537 3.324 25439 68 1 12 "Average Difference" HA 163 0.325 0.028 0.325 25439 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25439 70 1 12 "Average Difference" CA 156 1.309 -0.218 1.295 25439 71 1 12 "Average Difference" CB 148 1.269 -0.136 1.266 25439 72 1 12 "Average Difference" HN 150 0.584 -0.121 0.573 25439 73 1 13 "Average Difference" N 150 3.299 -0.360 3.290 25439 74 1 13 "Average Difference" HA 163 0.332 0.025 0.332 25439 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25439 76 1 13 "Average Difference" CA 156 1.362 -0.283 1.336 25439 77 1 13 "Average Difference" CB 148 1.244 -0.151 1.239 25439 78 1 13 "Average Difference" HN 150 0.588 -0.091 0.583 25439 79 1 14 "Average Difference" N 150 3.204 -0.384 3.192 25439 80 1 14 "Average Difference" HA 163 0.334 0.049 0.331 25439 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25439 82 1 14 "Average Difference" CA 156 1.376 -0.237 1.360 25439 83 1 14 "Average Difference" CB 148 1.245 -0.183 1.236 25439 84 1 14 "Average Difference" HN 150 0.594 -0.110 0.586 25439 85 1 15 "Average Difference" N 150 3.334 -0.296 3.332 25439 86 1 15 "Average Difference" HA 163 0.318 0.019 0.319 25439 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25439 88 1 15 "Average Difference" CA 156 1.363 -0.250 1.345 25439 89 1 15 "Average Difference" CB 148 1.263 -0.207 1.250 25439 90 1 15 "Average Difference" HN 150 0.596 -0.110 0.588 25439 91 1 16 "Average Difference" N 150 3.382 -0.337 3.377 25439 92 1 16 "Average Difference" HA 163 0.316 0.012 0.317 25439 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25439 94 1 16 "Average Difference" CA 156 1.395 -0.232 1.380 25439 95 1 16 "Average Difference" CB 148 1.212 -0.201 1.200 25439 96 1 16 "Average Difference" HN 150 0.586 -0.099 0.580 25439 97 1 17 "Average Difference" N 150 3.149 -0.232 3.151 25439 98 1 17 "Average Difference" HA 163 0.310 0.028 0.310 25439 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25439 100 1 17 "Average Difference" CA 156 1.372 -0.278 1.348 25439 101 1 17 "Average Difference" CB 148 1.213 -0.178 1.204 25439 102 1 17 "Average Difference" HN 150 0.612 -0.128 0.600 25439 103 1 18 "Average Difference" N 150 3.464 -0.476 3.443 25439 104 1 18 "Average Difference" HA 163 0.328 0.037 0.327 25439 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25439 106 1 18 "Average Difference" CA 156 1.404 -0.251 1.386 25439 107 1 18 "Average Difference" CB 148 1.218 -0.174 1.209 25439 108 1 18 "Average Difference" HN 150 0.574 -0.100 0.567 25439 109 1 19 "Average Difference" N 150 3.335 -0.416 3.320 25439 110 1 19 "Average Difference" HA 163 0.335 0.032 0.335 25439 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25439 112 1 19 "Average Difference" CA 156 1.352 -0.229 1.336 25439 113 1 19 "Average Difference" CB 148 1.280 -0.158 1.275 25439 114 1 19 "Average Difference" HN 150 0.567 -0.085 0.562 25439 115 1 20 "Average Difference" N 150 3.223 -0.390 3.210 25439 116 1 20 "Average Difference" HA 163 0.341 0.043 0.339 25439 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25439 118 1 20 "Average Difference" CA 156 1.378 -0.254 1.359 25439 119 1 20 "Average Difference" CB 148 1.194 -0.155 1.188 25439 120 1 20 "Average Difference" HN 150 0.596 -0.115 0.586 25439 121 1 21 "Average Difference" N 150 3.335 -0.346 3.328 25439 122 1 21 "Average Difference" HA 163 0.319 0.032 0.318 25439 123 1 21 "Average Difference" C 0 0.000 0.000 0.000 25439 124 1 21 "Average Difference" CA 156 1.350 -0.273 1.326 25439 125 1 21 "Average Difference" CB 148 1.292 -0.236 1.274 25439 126 1 21 "Average Difference" HN 150 0.602 -0.146 0.586 25439 127 1 22 "Average Difference" N 150 3.427 -0.552 3.393 25439 128 1 22 "Average Difference" HA 163 0.317 0.010 0.318 25439 129 1 22 "Average Difference" C 0 0.000 0.000 0.000 25439 130 1 22 "Average Difference" CA 156 1.368 -0.192 1.359 25439 131 1 22 "Average Difference" CB 148 1.242 -0.220 1.226 25439 132 1 22 "Average Difference" HN 150 0.585 -0.084 0.581 25439 133 1 23 "Average Difference" N 150 3.348 -0.405 3.334 25439 134 1 23 "Average Difference" HA 163 0.316 0.010 0.317 25439 135 1 23 "Average Difference" C 0 0.000 0.000 0.000 25439 136 1 23 "Average Difference" CA 156 1.294 -0.243 1.276 25439 137 1 23 "Average Difference" CB 148 1.264 -0.219 1.250 25439 138 1 23 "Average Difference" HN 150 0.587 -0.118 0.577 25439 139 1 24 "Average Difference" N 150 3.515 -0.255 3.517 25439 140 1 24 "Average Difference" HA 163 0.338 0.035 0.338 25439 141 1 24 "Average Difference" C 0 0.000 0.000 0.000 25439 142 1 24 "Average Difference" CA 156 1.428 -0.268 1.407 25439 143 1 24 "Average Difference" CB 148 1.219 -0.202 1.206 25439 144 1 24 "Average Difference" HN 150 0.564 -0.114 0.554 25439 145 1 25 "Average Difference" N 150 3.270 -0.399 3.257 25439 146 1 25 "Average Difference" HA 163 0.341 0.021 0.342 25439 147 1 25 "Average Difference" C 0 0.000 0.000 0.000 25439 148 1 25 "Average Difference" CA 156 1.324 -0.270 1.300 25439 149 1 25 "Average Difference" CB 148 1.216 -0.166 1.209 25439 150 1 25 "Average Difference" HN 150 0.596 -0.112 0.588 25439 151 1 26 "Average Difference" N 150 3.358 -0.394 3.346 25439 152 1 26 "Average Difference" HA 163 0.337 0.054 0.334 25439 153 1 26 "Average Difference" C 0 0.000 0.000 0.000 25439 154 1 26 "Average Difference" CA 156 1.414 -0.242 1.398 25439 155 1 26 "Average Difference" CB 148 1.211 -0.168 1.204 25439 156 1 26 "Average Difference" HN 150 0.586 -0.103 0.579 25439 157 1 27 "Average Difference" N 150 3.291 -0.309 3.287 25439 158 1 27 "Average Difference" HA 163 0.344 0.026 0.344 25439 159 1 27 "Average Difference" C 0 0.000 0.000 0.000 25439 160 1 27 "Average Difference" CA 156 1.343 -0.276 1.318 25439 161 1 27 "Average Difference" CB 148 1.202 -0.191 1.190 25439 162 1 27 "Average Difference" HN 150 0.559 -0.113 0.549 25439 163 1 28 "Average Difference" N 150 3.262 -0.284 3.261 25439 164 1 28 "Average Difference" HA 163 0.319 0.002 0.320 25439 165 1 28 "Average Difference" C 0 0.000 0.000 0.000 25439 166 1 28 "Average Difference" CA 156 1.341 -0.210 1.329 25439 167 1 28 "Average Difference" CB 148 1.251 -0.238 1.232 25439 168 1 28 "Average Difference" HN 150 0.579 -0.123 0.567 25439 169 1 29 "Average Difference" N 150 3.296 -0.213 3.300 25439 170 1 29 "Average Difference" HA 163 0.326 0.028 0.326 25439 171 1 29 "Average Difference" C 0 0.000 0.000 0.000 25439 172 1 29 "Average Difference" CA 156 1.359 -0.214 1.346 25439 173 1 29 "Average Difference" CB 148 1.210 -0.168 1.202 25439 174 1 29 "Average Difference" HN 150 0.586 -0.090 0.581 25439 175 1 30 "Average Difference" N 150 3.315 -0.410 3.300 25439 176 1 30 "Average Difference" HA 163 0.322 0.019 0.323 25439 177 1 30 "Average Difference" C 0 0.000 0.000 0.000 25439 178 1 30 "Average Difference" CA 156 1.386 -0.285 1.361 25439 179 1 30 "Average Difference" CB 148 1.271 -0.185 1.262 25439 180 1 30 "Average Difference" HN 150 0.549 -0.088 0.544 25439 181 1 31 "Average Difference" N 150 3.082 -0.137 3.089 25439 182 1 31 "Average Difference" HA 163 0.325 0.041 0.323 25439 183 1 31 "Average Difference" C 0 0.000 0.000 0.000 25439 184 1 31 "Average Difference" CA 156 1.410 -0.267 1.389 25439 185 1 31 "Average Difference" CB 148 1.233 -0.133 1.230 25439 186 1 31 "Average Difference" HN 150 0.590 -0.105 0.582 25439 187 1 32 "Average Difference" N 150 3.194 -0.475 3.169 25439 188 1 32 "Average Difference" HA 163 0.328 0.027 0.328 25439 189 1 32 "Average Difference" C 0 0.000 0.000 0.000 25439 190 1 32 "Average Difference" CA 156 1.325 -0.272 1.301 25439 191 1 32 "Average Difference" CB 148 1.172 -0.168 1.164 25439 192 1 32 "Average Difference" HN 150 0.585 -0.099 0.578 25439 193 1 33 "Average Difference" N 150 3.286 -0.282 3.285 25439 194 1 33 "Average Difference" HA 163 0.317 0.010 0.318 25439 195 1 33 "Average Difference" C 0 0.000 0.000 0.000 25439 196 1 33 "Average Difference" CA 156 1.361 -0.241 1.344 25439 197 1 33 "Average Difference" CB 148 1.271 -0.257 1.249 25439 198 1 33 "Average Difference" HN 150 0.578 -0.055 0.577 25439 199 1 34 "Average Difference" N 150 3.350 -0.262 3.351 25439 200 1 34 "Average Difference" HA 163 0.329 0.031 0.328 25439 201 1 34 "Average Difference" C 0 0.000 0.000 0.000 25439 202 1 34 "Average Difference" CA 156 1.313 -0.213 1.300 25439 203 1 34 "Average Difference" CB 148 1.254 -0.169 1.247 25439 204 1 34 "Average Difference" HN 150 0.581 -0.089 0.576 25439 205 1 35 "Average Difference" N 150 3.306 -0.287 3.304 25439 206 1 35 "Average Difference" HA 163 0.336 0.037 0.334 25439 207 1 35 "Average Difference" C 0 0.000 0.000 0.000 25439 208 1 35 "Average Difference" CA 156 1.386 -0.274 1.363 25439 209 1 35 "Average Difference" CB 148 1.231 -0.169 1.223 25439 210 1 35 "Average Difference" HN 150 0.598 -0.074 0.595 25439 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 25439 _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 0 0 GLY CA C 0 43.750 43.750 44.928 -1.178 25439 2 1 . 1 1 1 1 SER N N 1 117.201 117.201 116.933 0.268 25439 3 1 . 1 1 1 1 SER HA H 1 4.809 4.809 4.735 0.074 25439 4 1 . 1 1 1 1 SER CA C 1 56.525 56.525 56.549 -0.024 25439 5 1 . 1 1 1 1 SER CB C 1 63.385 63.385 64.280 -0.895 25439 6 1 . 1 1 1 1 SER H H 1 8.381 8.381 8.250 0.131 25439 7 1 . 1 1 2 2 PRO HA H 2 4.468 4.468 4.541 -0.073 25439 8 1 . 1 1 2 2 PRO CA C 2 63.292 63.292 63.078 0.214 25439 9 1 . 1 1 2 2 PRO CB C 2 32.174 32.174 32.089 0.085 25439 10 1 . 1 1 3 3 ARG N N 3 121.649 121.649 121.909 -0.260 25439 11 1 . 1 1 3 3 ARG HA H 3 4.324 4.324 4.591 -0.267 25439 12 1 . 1 1 3 3 ARG CA C 3 56.226 56.226 55.789 0.437 25439 13 1 . 1 1 3 3 ARG CB C 3 30.732 30.732 31.083 -0.351 25439 14 1 . 1 1 3 3 ARG H H 3 8.428 8.428 8.386 0.042 25439 15 1 . 1 1 4 4 ILE N N 4 122.500 122.500 121.474 1.026 25439 16 1 . 1 1 4 4 ILE HA H 4 4.181 4.181 4.370 -0.189 25439 17 1 . 1 1 4 4 ILE CA C 4 60.943 60.943 61.053 -0.110 25439 18 1 . 1 1 4 4 ILE CB C 4 38.751 38.751 39.264 -0.513 25439 19 1 . 1 1 4 4 ILE H H 4 8.165 8.165 8.243 -0.078 25439 20 1 . 1 1 5 5 LYS N N 5 126.237 126.237 124.660 1.577 25439 21 1 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.617 -0.215 25439 22 1 . 1 1 5 5 LYS CA C 5 56.422 56.422 56.060 0.362 25439 23 1 . 1 1 5 5 LYS CB C 5 33.130 33.130 33.661 -0.531 25439 24 1 . 1 1 5 5 LYS H H 5 8.500 8.500 8.360 0.140 25439 25 1 . 1 1 6 6 THR N N 6 116.495 116.495 115.450 1.045 25439 26 1 . 1 1 6 6 THR HA H 6 4.323 4.323 4.538 -0.215 25439 27 1 . 1 1 6 6 THR CA C 6 61.918 61.918 61.828 0.090 25439 28 1 . 1 1 6 6 THR CB C 6 69.963 69.963 69.704 0.259 25439 29 1 . 1 1 6 6 THR H H 6 8.194 8.194 8.271 -0.077 25439 30 1 . 1 1 7 7 ARG N N 7 124.128 124.128 123.031 1.097 25439 31 1 . 1 1 7 7 ARG HA H 7 4.396 4.396 4.579 -0.183 25439 32 1 . 1 1 7 7 ARG CA C 7 56.128 56.128 55.879 0.249 25439 33 1 . 1 1 7 7 ARG CB C 7 30.953 30.953 31.427 -0.474 25439 34 1 . 1 1 7 7 ARG H H 7 8.458 8.458 8.426 0.032 25439 35 1 . 1 1 8 8 ARG N N 8 123.384 123.384 122.135 1.249 25439 36 1 . 1 1 8 8 ARG HA H 8 4.424 4.424 4.578 -0.154 25439 37 1 . 1 1 8 8 ARG CA C 8 56.011 56.011 55.960 0.051 25439 38 1 . 1 1 8 8 ARG CB C 8 31.058 31.058 31.199 -0.141 25439 39 1 . 1 1 8 8 ARG H H 8 8.526 8.526 8.548 -0.022 25439 40 1 . 1 1 9 9 SER N N 9 118.446 118.446 116.308 2.138 25439 41 1 . 1 1 9 9 SER HA H 9 4.473 4.473 4.647 -0.174 25439 42 1 . 1 1 9 9 SER CA C 9 58.568 58.568 58.158 0.410 25439 43 1 . 1 1 9 9 SER CB C 9 63.986 63.986 64.155 -0.169 25439 44 1 . 1 1 9 9 SER H H 9 8.450 8.450 8.368 0.082 25439 45 1 . 1 1 10 10 LYS N N 10 124.117 124.117 123.287 0.830 25439 46 1 . 1 1 10 10 LYS HA H 10 4.673 4.673 4.770 -0.097 25439 47 1 . 1 1 10 10 LYS CA C 10 54.412 54.412 54.028 0.384 25439 48 1 . 1 1 10 10 LYS CB C 10 32.693 32.693 33.337 -0.644 25439 49 1 . 1 1 10 10 LYS H H 10 8.426 8.426 8.422 0.004 25439 50 1 . 1 1 11 11 PRO HA H 11 4.360 4.360 4.492 -0.132 25439 51 1 . 1 1 11 11 PRO CA C 11 62.861 62.861 62.561 0.300 25439 52 1 . 1 1 11 11 PRO CB C 11 32.106 32.106 32.430 -0.324 25439 53 1 . 1 1 12 12 ALA N N 12 124.420 124.420 122.199 2.221 25439 54 1 . 1 1 12 12 ALA HA H 12 2.889 2.889 3.028 -0.139 25439 55 1 . 1 1 12 12 ALA CA C 12 49.735 49.735 49.652 0.083 25439 56 1 . 1 1 12 12 ALA CB C 12 18.066 18.066 16.970 1.096 25439 57 1 . 1 1 12 12 ALA H H 12 7.890 7.890 7.768 0.122 25439 58 1 . 1 1 13 13 PRO HA H 13 4.207 4.207 4.430 -0.223 25439 59 1 . 1 1 13 13 PRO CA C 13 62.111 62.111 61.840 0.271 25439 60 1 . 1 1 13 13 PRO CB C 13 32.582 32.582 32.233 0.349 25439 61 1 . 1 1 14 14 ASP N N 14 119.535 119.535 120.492 -0.957 25439 62 1 . 1 1 14 14 ASP HA H 14 4.379 4.379 4.286 0.093 25439 63 1 . 1 1 14 14 ASP CA C 14 56.427 56.427 57.230 -0.803 25439 64 1 . 1 1 14 14 ASP CB C 14 41.177 41.177 40.453 0.724 25439 65 1 . 1 1 14 14 ASP H H 14 8.206 8.206 8.636 -0.430 25439 66 1 . 1 1 15 15 GLY N N 15 113.273 113.273 107.952 5.321 25439 67 1 . 1 1 15 15 GLY CA C 15 45.146 45.146 46.606 -1.460 25439 68 1 . 1 1 15 15 GLY H H 15 8.723 8.723 8.410 0.313 25439 69 1 . 1 1 16 16 PHE N N 16 123.113 123.113 122.682 0.431 25439 70 1 . 1 1 16 16 PHE HA H 16 4.125 4.125 4.267 -0.142 25439 71 1 . 1 1 16 16 PHE CA C 16 60.715 60.715 59.447 1.268 25439 72 1 . 1 1 16 16 PHE CB C 16 39.639 39.639 39.083 0.556 25439 73 1 . 1 1 16 16 PHE H H 16 8.127 8.127 8.276 -0.149 25439 74 1 . 1 1 17 17 GLU N N 17 115.695 115.695 119.393 -3.698 25439 75 1 . 1 1 17 17 GLU HA H 17 3.768 3.768 3.822 -0.054 25439 76 1 . 1 1 17 17 GLU CA C 17 59.234 59.234 59.425 -0.191 25439 77 1 . 1 1 17 17 GLU CB C 17 28.495 28.495 29.266 -0.771 25439 78 1 . 1 1 17 17 GLU H H 17 9.088 9.088 8.195 0.893 25439 79 1 . 1 1 18 18 LYS N N 18 115.887 115.887 117.515 -1.628 25439 80 1 . 1 1 18 18 LYS HA H 18 4.165 4.165 4.071 0.094 25439 81 1 . 1 1 18 18 LYS CA C 18 58.249 58.249 58.766 -0.517 25439 82 1 . 1 1 18 18 LYS CB C 18 32.725 32.725 32.840 -0.115 25439 83 1 . 1 1 18 18 LYS H H 18 7.285 7.285 7.799 -0.514 25439 84 1 . 1 1 19 19 ILE N N 19 110.277 110.277 110.835 -0.558 25439 85 1 . 1 1 19 19 ILE HA H 19 4.722 4.722 4.704 0.018 25439 86 1 . 1 1 19 19 ILE CA C 19 61.093 61.093 59.846 1.247 25439 87 1 . 1 1 19 19 ILE CB C 19 39.139 39.139 38.131 1.008 25439 88 1 . 1 1 19 19 ILE H H 19 7.031 7.031 7.506 -0.475 25439 89 1 . 1 1 20 20 LYS N N 20 124.540 124.540 122.637 1.903 25439 90 1 . 1 1 20 20 LYS HA H 20 3.603 3.603 3.763 -0.160 25439 91 1 . 1 1 20 20 LYS CA C 20 60.917 60.917 59.872 1.045 25439 92 1 . 1 1 20 20 LYS CB C 20 30.210 30.210 30.556 -0.346 25439 93 1 . 1 1 20 20 LYS H H 20 7.666 7.666 7.473 0.193 25439 94 1 . 1 1 21 21 PRO HA H 21 4.292 4.292 4.566 -0.274 25439 95 1 . 1 1 21 21 PRO CA C 21 66.990 66.990 65.242 1.748 25439 96 1 . 1 1 21 21 PRO CB C 21 30.779 30.779 31.513 -0.734 25439 97 1 . 1 1 22 22 THR N N 22 114.917 114.917 115.356 -0.439 25439 98 1 . 1 1 22 22 THR HA H 22 3.866 3.866 4.061 -0.195 25439 99 1 . 1 1 22 22 THR CA C 22 66.575 66.575 66.633 -0.058 25439 100 1 . 1 1 22 22 THR CB C 22 68.731 68.731 68.322 0.409 25439 101 1 . 1 1 22 22 THR H H 22 7.331 7.331 8.342 -1.011 25439 102 1 . 1 1 23 23 LEU N N 23 120.152 120.152 120.313 -0.161 25439 103 1 . 1 1 23 23 LEU HA H 23 4.397 4.397 4.012 0.385 25439 104 1 . 1 1 23 23 LEU CA C 23 58.740 58.740 57.819 0.921 25439 105 1 . 1 1 23 23 LEU CB C 23 40.489 40.489 41.832 -1.343 25439 106 1 . 1 1 23 23 LEU H H 23 7.991 7.991 7.579 0.412 25439 107 1 . 1 1 24 24 THR N N 24 119.365 119.365 115.090 4.275 25439 108 1 . 1 1 24 24 THR HA H 24 4.095 4.095 3.949 0.146 25439 109 1 . 1 1 24 24 THR CA C 24 66.834 66.834 66.598 0.236 25439 110 1 . 1 1 24 24 THR CB C 24 68.614 68.614 68.231 0.383 25439 111 1 . 1 1 24 24 THR H H 24 9.175 9.175 7.550 1.625 25439 112 1 . 1 1 25 25 ASP N N 25 122.865 122.865 121.664 1.201 25439 113 1 . 1 1 25 25 ASP HA H 25 4.483 4.483 4.365 0.118 25439 114 1 . 1 1 25 25 ASP CA C 25 58.158 58.158 57.300 0.858 25439 115 1 . 1 1 25 25 ASP CB C 25 40.329 40.329 40.574 -0.245 25439 116 1 . 1 1 25 25 ASP H H 25 7.714 7.714 7.757 -0.043 25439 117 1 . 1 1 26 26 PHE N N 26 116.182 116.182 118.610 -2.428 25439 118 1 . 1 1 26 26 PHE HA H 26 4.457 4.457 4.146 0.311 25439 119 1 . 1 1 26 26 PHE CA C 26 62.531 62.531 61.836 0.695 25439 120 1 . 1 1 26 26 PHE CB C 26 39.468 39.468 38.857 0.611 25439 121 1 . 1 1 26 26 PHE H H 26 7.816 7.816 7.862 -0.046 25439 122 1 . 1 1 27 27 GLU N N 27 120.107 120.107 118.855 1.252 25439 123 1 . 1 1 27 27 GLU HA H 27 4.113 4.113 4.037 0.076 25439 124 1 . 1 1 27 27 GLU CA C 27 59.852 59.852 59.640 0.212 25439 125 1 . 1 1 27 27 GLU CB C 27 29.692 29.692 29.209 0.483 25439 126 1 . 1 1 27 27 GLU H H 27 8.068 8.068 7.950 0.118 25439 127 1 . 1 1 28 28 ILE N N 28 121.494 121.494 119.548 1.946 25439 128 1 . 1 1 28 28 ILE HA H 28 3.718 3.718 3.794 -0.076 25439 129 1 . 1 1 28 28 ILE CA C 28 65.002 65.002 64.628 0.374 25439 130 1 . 1 1 28 28 ILE CB C 28 38.023 38.023 37.839 0.183 25439 131 1 . 1 1 28 28 ILE H H 28 8.531 8.531 7.607 0.924 25439 132 1 . 1 1 29 29 GLN N N 29 118.941 118.941 120.001 -1.060 25439 133 1 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.081 0.099 25439 134 1 . 1 1 29 29 GLN CA C 29 59.507 59.507 58.873 0.634 25439 135 1 . 1 1 29 29 GLN CB C 29 29.783 29.783 28.608 1.175 25439 136 1 . 1 1 29 29 GLN H H 29 8.117 8.117 7.514 0.603 25439 137 1 . 1 1 30 30 LEU N N 30 121.724 121.724 120.762 0.962 25439 138 1 . 1 1 30 30 LEU HA H 30 4.032 4.032 4.052 -0.020 25439 139 1 . 1 1 30 30 LEU CA C 30 58.333 58.333 58.120 0.213 25439 140 1 . 1 1 30 30 LEU CB C 30 42.339 42.339 41.986 0.353 25439 141 1 . 1 1 30 30 LEU H H 30 8.677 8.677 8.693 -0.016 25439 142 1 . 1 1 31 31 ARG N N 31 120.629 120.629 119.146 1.483 25439 143 1 . 1 1 31 31 ARG HA H 31 4.105 4.105 3.971 0.134 25439 144 1 . 1 1 31 31 ARG CA C 31 59.340 59.340 59.903 -0.563 25439 145 1 . 1 1 31 31 ARG CB C 31 30.044 30.044 29.629 0.415 25439 146 1 . 1 1 31 31 ARG H H 31 8.227 8.227 8.339 -0.112 25439 147 1 . 1 1 32 32 ASP N N 32 120.233 120.233 120.286 -0.053 25439 148 1 . 1 1 32 32 ASP HA H 32 4.484 4.484 4.390 0.094 25439 149 1 . 1 1 32 32 ASP CA C 32 57.199 57.199 57.727 -0.528 25439 150 1 . 1 1 32 32 ASP CB C 32 40.202 40.202 40.466 -0.264 25439 151 1 . 1 1 32 32 ASP H H 32 8.407 8.407 7.740 0.667 25439 152 1 . 1 1 33 33 ALA N N 33 121.939 121.939 122.343 -0.404 25439 153 1 . 1 1 33 33 ALA HA H 33 4.321 4.321 3.982 0.339 25439 154 1 . 1 1 33 33 ALA CA C 33 54.207 54.207 55.120 -0.913 25439 155 1 . 1 1 33 33 ALA CB C 33 18.738 18.738 18.407 0.331 25439 156 1 . 1 1 33 33 ALA H H 33 8.057 8.057 7.505 0.552 25439 157 1 . 1 1 34 34 GLN N N 34 114.736 114.736 117.383 -2.647 25439 158 1 . 1 1 34 34 GLN HA H 34 4.248 4.248 4.036 0.212 25439 159 1 . 1 1 34 34 GLN CA C 34 56.567 56.567 58.875 -2.308 25439 160 1 . 1 1 34 34 GLN CB C 34 29.743 29.743 28.704 1.039 25439 161 1 . 1 1 34 34 GLN H H 34 7.746 7.746 8.398 -0.652 25439 162 1 . 1 1 35 35 LYS N N 35 120.534 120.534 118.317 2.217 25439 163 1 . 1 1 35 35 LYS HA H 35 4.232 4.232 4.249 -0.017 25439 164 1 . 1 1 35 35 LYS CA C 35 57.427 57.427 58.159 -0.733 25439 165 1 . 1 1 35 35 LYS CB C 35 32.887 32.887 32.555 0.332 25439 166 1 . 1 1 35 35 LYS H H 35 7.570 7.570 7.952 -0.382 25439 167 1 . 1 1 36 36 ASP N N 36 120.943 120.943 120.574 0.369 25439 168 1 . 1 1 36 36 ASP HA H 36 4.595 4.595 4.387 0.208 25439 169 1 . 1 1 36 36 ASP CA C 36 54.983 54.983 57.105 -2.122 25439 170 1 . 1 1 36 36 ASP CB C 36 41.129 41.129 40.713 0.416 25439 171 1 . 1 1 36 36 ASP H H 36 8.375 8.375 8.354 0.021 25439 172 1 . 1 1 37 37 LYS N N 37 122.598 122.598 118.271 4.327 25439 173 1 . 1 1 37 37 LYS HA H 37 4.365 4.365 4.052 0.313 25439 174 1 . 1 1 37 37 LYS CA C 37 56.725 56.725 58.257 -1.532 25439 175 1 . 1 1 37 37 LYS CB C 37 32.823 32.823 32.783 0.040 25439 176 1 . 1 1 37 37 LYS H H 37 8.446 8.446 7.658 0.788 25439 177 1 . 1 1 38 38 SER N N 38 115.849 115.849 112.676 3.173 25439 178 1 . 1 1 38 38 SER HA H 38 4.423 4.423 4.378 0.045 25439 179 1 . 1 1 38 38 SER CA C 38 59.193 59.193 58.638 0.555 25439 180 1 . 1 1 38 38 SER CB C 38 63.744 63.744 63.259 0.485 25439 181 1 . 1 1 38 38 SER H H 38 8.392 8.392 7.754 0.638 25439 182 1 . 1 1 39 39 SER N N 39 117.258 117.258 116.091 1.167 25439 183 1 . 1 1 39 39 SER HA H 39 4.445 4.445 4.481 -0.036 25439 184 1 . 1 1 39 39 SER CA C 39 58.933 58.933 59.111 -0.178 25439 185 1 . 1 1 39 39 SER CB C 39 63.711 63.711 63.941 -0.230 25439 186 1 . 1 1 39 39 SER H H 39 8.283 8.283 8.181 0.102 25439 187 1 . 1 1 40 40 LYS N N 40 122.427 122.427 122.578 -0.151 25439 188 1 . 1 1 40 40 LYS HA H 40 4.321 4.321 4.294 0.027 25439 189 1 . 1 1 40 40 LYS CA C 40 56.847 56.847 56.418 0.429 25439 190 1 . 1 1 40 40 LYS CB C 40 32.764 32.764 32.454 0.310 25439 191 1 . 1 1 40 40 LYS H H 40 8.263 8.263 8.266 -0.003 25439 192 1 . 1 1 41 41 LEU N N 41 121.281 121.281 121.968 -0.687 25439 193 1 . 1 1 41 41 LEU HA H 41 4.308 4.308 4.453 -0.145 25439 194 1 . 1 1 41 41 LEU CA C 41 55.335 55.335 55.354 -0.019 25439 195 1 . 1 1 41 41 LEU CB C 41 42.212 42.212 42.503 -0.291 25439 196 1 . 1 1 41 41 LEU H H 41 8.068 8.068 8.288 -0.220 25439 197 1 . 1 1 42 42 ALA N N 42 123.964 123.964 124.156 -0.192 25439 198 1 . 1 1 42 42 ALA HA H 42 4.274 4.274 4.457 -0.183 25439 199 1 . 1 1 42 42 ALA CA C 42 52.851 52.851 52.175 0.676 25439 200 1 . 1 1 42 42 ALA CB C 42 19.135 19.135 19.505 -0.370 25439 201 1 . 1 1 42 42 ALA H H 42 8.111 8.111 8.274 -0.163 25439 202 1 . 1 1 43 43 ALA N N 43 122.146 122.146 122.362 -0.216 25439 203 1 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.497 -0.200 25439 204 1 . 1 1 43 43 ALA CA C 43 52.727 52.727 51.683 1.044 25439 205 1 . 1 1 43 43 ALA CB C 43 19.318 19.318 19.915 -0.597 25439 206 1 . 1 1 43 43 ALA H H 43 8.101 8.101 7.863 0.238 25439 207 1 . 1 1 44 44 LYS N N 44 119.454 119.454 120.204 -0.750 25439 208 1 . 1 1 44 44 LYS HA H 44 4.349 4.349 3.982 0.367 25439 209 1 . 1 1 44 44 LYS CA C 44 56.267 56.267 56.740 -0.473 25439 210 1 . 1 1 44 44 LYS CB C 44 32.825 32.825 31.552 1.273 25439 211 1 . 1 1 44 44 LYS H H 44 8.198 8.198 8.479 -0.281 25439 212 1 . 1 1 45 45 SER N N 45 116.660 116.660 114.933 1.727 25439 213 1 . 1 1 45 45 SER HA H 45 4.368 4.368 4.386 -0.018 25439 214 1 . 1 1 45 45 SER CA C 45 58.477 58.477 59.374 -0.897 25439 215 1 . 1 1 45 45 SER CB C 45 64.063 64.063 64.043 0.020 25439 216 1 . 1 1 45 45 SER H H 45 8.251 8.251 8.311 -0.060 25439 217 1 . 1 1 46 46 ASN N N 46 120.516 120.516 120.112 0.404 25439 218 1 . 1 1 46 46 ASN HA H 46 4.361 4.361 4.207 0.154 25439 219 1 . 1 1 46 46 ASN CA C 46 54.657 54.657 56.035 -1.378 25439 220 1 . 1 1 46 46 ASN CB C 46 37.649 37.649 37.842 -0.193 25439 221 1 . 1 1 46 46 ASN H H 46 8.498 8.498 8.523 -0.025 25439 222 1 . 1 1 47 47 GLU N N 47 117.964 117.964 117.605 0.359 25439 223 1 . 1 1 47 47 GLU HA H 47 3.350 3.350 3.011 0.339 25439 224 1 . 1 1 47 47 GLU CA C 47 59.213 59.213 59.062 0.151 25439 225 1 . 1 1 47 47 GLU CB C 47 28.998 28.998 28.909 0.089 25439 226 1 . 1 1 47 47 GLU H H 47 8.016 8.016 8.230 -0.214 25439 227 1 . 1 1 48 48 GLN N N 48 119.468 119.468 119.223 0.245 25439 228 1 . 1 1 48 48 GLN HA H 48 4.250 4.250 4.065 0.185 25439 229 1 . 1 1 48 48 GLN CA C 48 58.529 58.529 58.431 0.098 25439 230 1 . 1 1 48 48 GLN CB C 48 28.902 28.902 28.177 0.725 25439 231 1 . 1 1 48 48 GLN H H 48 7.892 7.892 7.455 0.437 25439 232 1 . 1 1 49 49 LEU N N 49 120.145 120.145 119.896 0.249 25439 233 1 . 1 1 49 49 LEU HA H 49 4.232 4.232 3.991 0.241 25439 234 1 . 1 1 49 49 LEU CA C 49 57.479 57.479 57.736 -0.257 25439 235 1 . 1 1 49 49 LEU CB C 49 41.391 41.391 41.676 -0.285 25439 236 1 . 1 1 49 49 LEU H H 49 7.699 7.699 7.633 0.066 25439 237 1 . 1 1 50 50 TRP N N 50 119.596 119.596 118.007 1.589 25439 238 1 . 1 1 50 50 TRP HA H 50 4.520 4.520 4.446 0.074 25439 239 1 . 1 1 50 50 TRP CA C 50 58.353 58.353 57.793 0.560 25439 240 1 . 1 1 50 50 TRP CB C 50 28.880 28.880 28.008 0.872 25439 241 1 . 1 1 50 50 TRP H H 50 8.385 8.385 7.735 0.650 25439 242 1 . 1 1 51 51 GLU N N 51 119.362 119.362 118.972 0.390 25439 243 1 . 1 1 51 51 GLU HA H 51 4.145 4.145 4.150 -0.005 25439 244 1 . 1 1 51 51 GLU CA C 51 60.035 60.035 59.489 0.546 25439 245 1 . 1 1 51 51 GLU CB C 51 29.675 29.675 29.284 0.391 25439 246 1 . 1 1 51 51 GLU H H 51 8.223 8.223 7.827 0.396 25439 247 1 . 1 1 52 52 ILE N N 52 119.018 119.018 119.707 -0.689 25439 248 1 . 1 1 52 52 ILE HA H 52 3.673 3.673 3.728 -0.055 25439 249 1 . 1 1 52 52 ILE CA C 52 65.511 65.511 65.207 0.304 25439 250 1 . 1 1 52 52 ILE CB C 52 38.532 38.532 38.094 0.438 25439 251 1 . 1 1 52 52 ILE H H 52 7.801 7.801 7.501 0.300 25439 252 1 . 1 1 53 53 MET N N 53 118.133 118.133 117.148 0.985 25439 253 1 . 1 1 53 53 MET HA H 53 4.452 4.452 4.090 0.362 25439 254 1 . 1 1 53 53 MET CA C 53 58.216 58.216 58.560 -0.344 25439 255 1 . 1 1 53 53 MET CB C 53 31.838 31.838 31.830 0.008 25439 256 1 . 1 1 53 53 MET H H 53 8.411 8.411 7.796 0.615 25439 257 1 . 1 1 54 54 GLN N N 54 120.855 120.855 119.018 1.837 25439 258 1 . 1 1 54 54 GLN HA H 54 4.333 4.333 4.013 0.320 25439 259 1 . 1 1 54 54 GLN CA C 54 59.004 59.004 58.693 0.311 25439 260 1 . 1 1 54 54 GLN CB C 54 27.824 27.824 28.811 -0.987 25439 261 1 . 1 1 54 54 GLN H H 54 8.860 8.860 8.337 0.523 25439 262 1 . 1 1 55 55 LEU N N 55 122.788 122.788 119.794 2.994 25439 263 1 . 1 1 55 55 LEU HA H 55 4.302 4.302 4.191 0.111 25439 264 1 . 1 1 55 55 LEU CA C 55 58.685 58.685 57.910 0.775 25439 265 1 . 1 1 55 55 LEU CB C 55 42.695 42.695 41.664 1.031 25439 266 1 . 1 1 55 55 LEU H H 55 8.298 8.298 8.050 0.248 25439 267 1 . 1 1 56 56 HIS N N 56 118.426 118.426 118.051 0.375 25439 268 1 . 1 1 56 56 HIS HA H 56 4.317 4.317 4.206 0.111 25439 269 1 . 1 1 56 56 HIS CA C 56 60.732 60.732 60.198 0.534 25439 270 1 . 1 1 56 56 HIS CB C 56 30.530 30.530 29.651 0.879 25439 271 1 . 1 1 56 56 HIS H H 56 8.416 8.416 7.853 0.563 25439 272 1 . 1 1 57 57 HIS N N 57 121.197 121.197 119.422 1.775 25439 273 1 . 1 1 57 57 HIS HA H 57 4.318 4.318 4.546 -0.228 25439 274 1 . 1 1 57 57 HIS CA C 57 60.739 60.739 58.846 1.892 25439 275 1 . 1 1 57 57 HIS CB C 57 28.726 28.726 30.169 -1.443 25439 276 1 . 1 1 57 57 HIS H H 57 8.608 8.608 8.193 0.415 25439 277 1 . 1 1 58 58 GLN N N 58 118.739 118.739 118.810 -0.071 25439 278 1 . 1 1 58 58 GLN HA H 58 4.202 4.202 4.158 0.044 25439 279 1 . 1 1 58 58 GLN CA C 58 59.507 59.507 59.455 0.052 25439 280 1 . 1 1 58 58 GLN CB C 58 29.111 29.111 28.663 0.448 25439 281 1 . 1 1 58 58 GLN H H 58 9.206 9.206 8.258 0.948 25439 282 1 . 1 1 59 59 ARG N N 59 122.498 122.498 120.024 2.474 25439 283 1 . 1 1 59 59 ARG HA H 59 3.437 3.437 3.763 -0.326 25439 284 1 . 1 1 59 59 ARG CA C 59 60.361 60.361 59.225 1.136 25439 285 1 . 1 1 59 59 ARG H H 59 8.623 8.623 8.315 0.308 25439 286 1 . 1 1 60 60 SER N N 60 114.930 114.930 115.349 -0.419 25439 287 1 . 1 1 60 60 SER HA H 60 4.515 4.515 4.258 0.257 25439 288 1 . 1 1 60 60 SER CA C 60 64.832 64.832 61.793 3.039 25439 289 1 . 1 1 60 60 SER CB C 60 63.583 63.583 63.068 0.515 25439 290 1 . 1 1 60 60 SER H H 60 7.993 7.993 8.479 -0.486 25439 291 1 . 1 1 61 61 ARG N N 61 124.417 124.417 122.633 1.784 25439 292 1 . 1 1 61 61 ARG HA H 61 4.204 4.204 4.110 0.094 25439 293 1 . 1 1 61 61 ARG CA C 61 58.852 58.852 59.547 -0.695 25439 294 1 . 1 1 61 61 ARG CB C 61 29.077 29.077 30.143 -1.066 25439 295 1 . 1 1 61 61 ARG H H 61 9.569 9.569 8.570 0.999 25439 296 1 . 1 1 62 62 TYR N N 62 124.484 124.484 121.077 3.407 25439 297 1 . 1 1 62 62 TYR HA H 62 4.676 4.676 4.290 0.386 25439 298 1 . 1 1 62 62 TYR CA C 62 61.006 61.006 62.056 -1.050 25439 299 1 . 1 1 62 62 TYR CB C 62 38.392 38.392 38.699 -0.307 25439 300 1 . 1 1 62 62 TYR H H 62 8.622 8.622 8.314 0.308 25439 301 1 . 1 1 63 63 ILE N N 63 119.789 119.789 119.083 0.706 25439 302 1 . 1 1 63 63 ILE HA H 63 3.492 3.492 3.764 -0.272 25439 303 1 . 1 1 63 63 ILE CA C 63 65.693 65.693 65.599 0.094 25439 304 1 . 1 1 63 63 ILE CB C 63 38.023 38.023 38.263 -0.240 25439 305 1 . 1 1 63 63 ILE H H 63 7.588 7.588 8.310 -0.722 25439 306 1 . 1 1 64 64 TYR N N 64 120.485 120.485 121.176 -0.691 25439 307 1 . 1 1 64 64 TYR HA H 64 4.577 4.577 4.309 0.268 25439 308 1 . 1 1 64 64 TYR CA C 64 61.759 61.759 62.328 -0.569 25439 309 1 . 1 1 64 64 TYR CB C 64 39.772 39.772 38.528 1.243 25439 310 1 . 1 1 64 64 TYR H H 64 9.166 9.166 9.206 -0.040 25439 311 1 . 1 1 65 65 THR N N 65 117.072 117.072 116.888 0.184 25439 312 1 . 1 1 65 65 THR HA H 65 3.562 3.562 4.026 -0.464 25439 313 1 . 1 1 65 65 THR CA C 65 67.016 67.016 67.244 -0.227 25439 314 1 . 1 1 65 65 THR CB C 65 68.711 68.711 68.855 -0.144 25439 315 1 . 1 1 65 65 THR H H 65 8.987 8.987 8.678 0.309 25439 316 1 . 1 1 66 66 LEU N N 66 122.107 122.107 120.885 1.222 25439 317 1 . 1 1 66 66 LEU HA H 66 3.782 3.782 4.274 -0.492 25439 318 1 . 1 1 66 66 LEU CA C 66 58.476 58.476 58.100 0.376 25439 319 1 . 1 1 66 66 LEU CB C 66 43.183 43.183 40.970 2.214 25439 320 1 . 1 1 66 66 LEU H H 66 8.286 8.286 7.670 0.616 25439 321 1 . 1 1 67 67 TYR N N 67 115.264 115.264 119.330 -4.066 25439 322 1 . 1 1 67 67 TYR HA H 67 4.344 4.344 4.078 0.266 25439 323 1 . 1 1 67 67 TYR CA C 67 60.830 60.830 61.501 -0.671 25439 324 1 . 1 1 67 67 TYR CB C 67 40.376 40.376 39.480 0.896 25439 325 1 . 1 1 67 67 TYR H H 67 7.983 7.983 8.293 -0.310 25439 326 1 . 1 1 68 68 TYR N N 68 113.945 113.945 116.117 -2.172 25439 327 1 . 1 1 68 68 TYR HA H 68 3.699 3.699 4.236 -0.537 25439 328 1 . 1 1 68 68 TYR CA C 68 62.030 62.030 60.139 1.891 25439 329 1 . 1 1 68 68 TYR CB C 68 38.046 38.046 38.640 -0.594 25439 330 1 . 1 1 68 68 TYR H H 68 8.297 8.297 7.956 0.341 25439 331 1 . 1 1 69 69 LYS N N 69 114.346 114.346 118.251 -3.905 25439 332 1 . 1 1 69 69 LYS HA H 69 4.564 4.564 4.426 0.138 25439 333 1 . 1 1 69 69 LYS CA C 69 56.821 56.821 56.853 -0.032 25439 334 1 . 1 1 69 69 LYS CB C 69 31.980 31.980 33.523 -1.543 25439 335 1 . 1 1 69 69 LYS H H 69 7.084 7.084 7.523 -0.439 25439 336 1 . 1 1 70 70 ARG N N 70 114.676 114.676 119.259 -4.583 25439 337 1 . 1 1 70 70 ARG HA H 70 4.251 4.251 4.135 0.116 25439 338 1 . 1 1 70 70 ARG CA C 70 56.314 56.314 57.082 -0.768 25439 339 1 . 1 1 70 70 ARG CB C 70 31.128 31.128 30.668 0.460 25439 340 1 . 1 1 70 70 ARG H H 70 8.178 8.178 8.079 0.099 25439 341 1 . 1 1 71 71 LYS N N 71 115.371 115.371 115.627 -0.256 25439 342 1 . 1 1 71 71 LYS HA H 71 4.036 4.036 3.776 0.260 25439 343 1 . 1 1 71 71 LYS CA C 71 57.121 57.121 57.124 -0.003 25439 344 1 . 1 1 71 71 LYS CB C 71 28.897 28.897 30.228 -1.331 25439 345 1 . 1 1 71 71 LYS H H 71 6.843 6.843 7.810 -0.967 25439 346 1 . 1 1 72 72 ALA N N 72 117.701 117.701 121.142 -3.441 25439 347 1 . 1 1 72 72 ALA HA H 72 4.395 4.395 4.441 -0.046 25439 348 1 . 1 1 72 72 ALA CA C 72 52.597 52.597 51.900 0.697 25439 349 1 . 1 1 72 72 ALA CB C 72 21.560 21.560 19.867 1.693 25439 350 1 . 1 1 72 72 ALA H H 72 8.560 8.560 7.658 0.902 25439 351 1 . 1 1 73 73 ILE N N 73 107.605 107.605 117.334 -9.729 25439 352 1 . 1 1 73 73 ILE CB C 73 42.724 42.724 41.260 1.464 25439 353 1 . 1 1 73 73 ILE H H 73 7.074 7.074 7.447 -0.373 25439 354 1 . 1 1 74 74 SER N N 74 118.425 118.425 118.243 0.182 25439 355 1 . 1 1 74 74 SER HA H 74 4.484 4.484 4.876 -0.392 25439 356 1 . 1 1 74 74 SER CA C 74 57.082 57.082 56.928 0.154 25439 357 1 . 1 1 74 74 SER CB C 74 65.396 65.396 65.090 0.307 25439 358 1 . 1 1 74 74 SER H H 74 8.797 8.797 8.426 0.371 25439 359 1 . 1 1 75 75 LYS N N 75 121.891 121.891 125.301 -3.410 25439 360 1 . 1 1 75 75 LYS HA H 75 3.851 3.851 4.212 -0.361 25439 361 1 . 1 1 75 75 LYS CA C 75 59.624 59.624 59.977 -0.353 25439 362 1 . 1 1 75 75 LYS CB C 75 32.368 32.368 32.487 -0.119 25439 363 1 . 1 1 75 75 LYS H H 75 9.024 9.024 9.144 -0.120 25439 364 1 . 1 1 76 76 ASP N N 76 115.908 115.908 118.934 -3.026 25439 365 1 . 1 1 76 76 ASP HA H 76 4.423 4.423 4.405 0.018 25439 366 1 . 1 1 76 76 ASP CA C 76 57.362 57.362 57.595 -0.233 25439 367 1 . 1 1 76 76 ASP CB C 76 40.391 40.391 40.331 0.060 25439 368 1 . 1 1 76 76 ASP H H 76 8.161 8.161 8.338 -0.177 25439 369 1 . 1 1 77 77 LEU N N 77 121.705 121.705 121.267 0.438 25439 370 1 . 1 1 77 77 LEU HA H 77 4.180 4.180 4.122 0.058 25439 371 1 . 1 1 77 77 LEU CA C 77 57.818 57.818 57.828 -0.010 25439 372 1 . 1 1 77 77 LEU H H 77 8.345 8.345 7.682 0.663 25439 373 1 . 1 1 78 78 TYR N N 78 121.511 121.511 119.907 1.604 25439 374 1 . 1 1 78 78 TYR HA H 78 3.789 3.789 3.993 -0.204 25439 375 1 . 1 1 78 78 TYR CA C 78 62.857 62.857 60.627 2.230 25439 376 1 . 1 1 78 78 TYR CB C 78 38.369 38.369 37.764 0.605 25439 377 1 . 1 1 78 78 TYR H H 78 8.598 8.598 8.624 -0.026 25439 378 1 . 1 1 79 79 ASP N N 79 117.189 117.189 119.746 -2.557 25439 379 1 . 1 1 79 79 ASP HA H 79 4.066 4.066 4.019 0.047 25439 380 1 . 1 1 79 79 ASP CA C 79 57.219 57.219 57.302 -0.083 25439 381 1 . 1 1 79 79 ASP CB C 79 40.003 40.003 40.669 -0.666 25439 382 1 . 1 1 79 79 ASP H H 79 9.106 9.106 8.569 0.537 25439 383 1 . 1 1 80 80 TRP N N 80 123.400 123.400 122.165 1.235 25439 384 1 . 1 1 80 80 TRP HA H 80 4.160 4.160 4.124 0.036 25439 385 1 . 1 1 80 80 TRP CA C 80 62.368 62.368 61.737 0.631 25439 386 1 . 1 1 80 80 TRP CB C 80 29.969 29.969 29.372 0.597 25439 387 1 . 1 1 80 80 TRP H H 80 7.931 7.931 8.401 -0.470 25439 388 1 . 1 1 81 81 LEU N N 81 119.674 119.674 118.788 0.886 25439 389 1 . 1 1 81 81 LEU HA H 81 3.971 3.971 2.681 1.290 25439 390 1 . 1 1 81 81 LEU CA C 81 58.294 58.294 57.627 0.666 25439 391 1 . 1 1 81 81 LEU CB C 81 41.818 41.818 41.555 0.263 25439 392 1 . 1 1 81 81 LEU H H 81 8.814 8.814 8.018 0.796 25439 393 1 . 1 1 82 82 ILE N N 82 118.746 118.746 118.621 0.125 25439 394 1 . 1 1 82 82 ILE HA H 82 3.861 3.861 3.800 0.061 25439 395 1 . 1 1 82 82 ILE CA C 82 62.734 62.734 63.549 -0.815 25439 396 1 . 1 1 82 82 ILE CB C 82 36.236 36.236 37.006 -0.770 25439 397 1 . 1 1 82 82 ILE H H 82 7.886 7.886 7.568 0.318 25439 398 1 . 1 1 83 83 LYS N N 83 124.819 124.819 118.899 5.920 25439 399 1 . 1 1 83 83 LYS HA H 83 3.911 3.911 4.110 -0.199 25439 400 1 . 1 1 83 83 LYS CA C 83 59.643 59.643 57.767 1.876 25439 401 1 . 1 1 83 83 LYS CB C 83 32.027 32.027 32.690 -0.663 25439 402 1 . 1 1 83 83 LYS H H 83 8.224 8.224 7.714 0.510 25439 403 1 . 1 1 84 84 GLU N N 84 115.404 115.404 118.038 -2.634 25439 404 1 . 1 1 84 84 GLU HA H 84 3.841 3.841 4.291 -0.450 25439 405 1 . 1 1 84 84 GLU CA C 84 55.582 55.582 54.914 0.668 25439 406 1 . 1 1 84 84 GLU CB C 84 29.459 29.459 28.737 0.722 25439 407 1 . 1 1 84 84 GLU H H 84 8.138 8.138 7.263 0.875 25439 408 1 . 1 1 85 85 LYS N N 85 111.563 111.563 118.371 -6.808 25439 409 1 . 1 1 85 85 LYS HA H 85 3.820 3.820 3.988 -0.168 25439 410 1 . 1 1 85 85 LYS CA C 85 57.890 57.890 57.206 0.684 25439 411 1 . 1 1 85 85 LYS CB C 85 28.005 28.005 30.565 -2.560 25439 412 1 . 1 1 85 85 LYS H H 85 7.719 7.719 7.857 -0.138 25439 413 1 . 1 1 86 86 TYR N N 86 116.916 116.916 118.847 -1.931 25439 414 1 . 1 1 86 86 TYR HA H 86 4.137 4.137 4.428 -0.291 25439 415 1 . 1 1 86 86 TYR CA C 86 61.228 61.228 58.764 2.464 25439 416 1 . 1 1 86 86 TYR CB C 86 39.535 39.535 40.649 -1.114 25439 417 1 . 1 1 86 86 TYR H H 86 8.521 8.521 8.038 0.483 25439 418 1 . 1 1 87 87 ALA N N 87 113.715 113.715 118.902 -5.187 25439 419 1 . 1 1 87 87 ALA HA H 87 4.738 4.738 4.360 0.378 25439 420 1 . 1 1 87 87 ALA CA C 87 49.121 49.121 50.553 -1.432 25439 421 1 . 1 1 87 87 ALA CB C 87 23.295 23.295 21.685 1.610 25439 422 1 . 1 1 87 87 ALA H H 87 6.959 6.959 7.695 -0.736 25439 423 1 . 1 1 88 88 ASP N N 88 119.344 119.344 119.811 -0.467 25439 424 1 . 1 1 88 88 ASP HA H 88 4.544 4.544 4.916 -0.372 25439 425 1 . 1 1 88 88 ASP CA C 88 52.714 52.714 53.077 -0.363 25439 426 1 . 1 1 88 88 ASP CB C 88 41.845 41.845 42.648 -0.803 25439 427 1 . 1 1 88 88 ASP H H 88 7.870 7.870 8.610 -0.740 25439 428 1 . 1 1 89 89 LYS N N 89 125.312 125.312 126.313 -1.001 25439 429 1 . 1 1 89 89 LYS HA H 89 3.834 3.834 4.091 -0.257 25439 430 1 . 1 1 89 89 LYS CA C 89 59.409 59.409 59.613 -0.204 25439 431 1 . 1 1 89 89 LYS CB C 89 32.848 32.848 32.539 0.309 25439 432 1 . 1 1 89 89 LYS H H 89 8.467 8.467 8.764 -0.297 25439 433 1 . 1 1 90 90 LEU N N 90 119.899 119.899 120.538 -0.639 25439 434 1 . 1 1 90 90 LEU HA H 90 4.023 4.023 4.020 0.003 25439 435 1 . 1 1 90 90 LEU CA C 90 57.049 57.049 57.943 -0.894 25439 436 1 . 1 1 90 90 LEU CB C 90 41.099 41.099 41.654 -0.555 25439 437 1 . 1 1 90 90 LEU H H 90 8.076 8.076 7.957 0.119 25439 438 1 . 1 1 91 91 LEU N N 91 123.148 123.148 120.247 2.901 25439 439 1 . 1 1 91 91 LEU HA H 91 3.498 3.498 3.733 -0.235 25439 440 1 . 1 1 91 91 LEU CA C 91 56.971 56.971 57.754 -0.783 25439 441 1 . 1 1 91 91 LEU CB C 91 41.823 41.823 41.583 0.240 25439 442 1 . 1 1 91 91 LEU H H 91 7.120 7.120 7.814 -0.694 25439 443 1 . 1 1 92 92 ILE N N 92 116.780 116.780 118.664 -1.884 25439 444 1 . 1 1 92 92 ILE HA H 92 3.265 3.265 3.743 -0.478 25439 445 1 . 1 1 92 92 ILE CA C 92 65.178 65.178 65.375 -0.197 25439 446 1 . 1 1 92 92 ILE CB C 92 38.209 38.209 37.665 0.544 25439 447 1 . 1 1 92 92 ILE H H 92 7.384 7.384 7.892 -0.508 25439 448 1 . 1 1 93 93 ALA N N 93 117.061 117.061 122.372 -5.311 25439 449 1 . 1 1 93 93 ALA HA H 93 3.930 3.930 4.029 -0.099 25439 450 1 . 1 1 93 93 ALA CA C 93 54.839 54.839 55.451 -0.612 25439 451 1 . 1 1 93 93 ALA CB C 93 18.125 18.125 18.140 -0.015 25439 452 1 . 1 1 93 93 ALA H H 93 7.437 7.437 8.580 -1.143 25439 453 1 . 1 1 94 94 LYS N N 94 116.036 116.036 118.881 -2.845 25439 454 1 . 1 1 94 94 LYS HA H 94 3.803 3.803 3.614 0.189 25439 455 1 . 1 1 94 94 LYS CA C 94 56.945 56.945 58.716 -1.771 25439 456 1 . 1 1 94 94 LYS CB C 94 31.047 31.047 31.651 -0.603 25439 457 1 . 1 1 94 94 LYS H H 94 7.012 7.012 7.669 -0.657 25439 458 1 . 1 1 95 95 TRP N N 95 118.700 118.700 116.746 1.954 25439 459 1 . 1 1 95 95 TRP HA H 95 4.814 4.814 4.520 0.294 25439 460 1 . 1 1 95 95 TRP CA C 95 57.136 57.136 59.305 -2.169 25439 461 1 . 1 1 95 95 TRP CB C 95 28.171 28.171 29.035 -0.864 25439 462 1 . 1 1 95 95 TRP H H 95 7.611 7.611 7.536 0.075 25439 463 1 . 1 1 96 96 ARG N N 96 113.031 113.031 116.450 -3.419 25439 464 1 . 1 1 96 96 ARG HA H 96 4.233 4.233 4.292 -0.059 25439 465 1 . 1 1 96 96 ARG CA C 96 56.234 56.234 57.667 -1.433 25439 466 1 . 1 1 96 96 ARG CB C 96 30.245 30.245 30.562 -0.316 25439 467 1 . 1 1 96 96 ARG H H 96 7.066 7.066 7.516 -0.450 25439 468 1 . 1 1 97 97 LYS N N 97 123.252 123.252 119.408 3.844 25439 469 1 . 1 1 97 97 LYS HA H 97 4.634 4.634 4.300 0.334 25439 470 1 . 1 1 97 97 LYS CA C 97 54.937 54.937 57.002 -2.065 25439 471 1 . 1 1 97 97 LYS CB C 97 34.166 34.166 32.928 1.238 25439 472 1 . 1 1 97 97 LYS H H 97 8.467 8.467 8.084 0.383 25439 473 1 . 1 1 98 98 THR N N 98 119.993 119.993 113.800 6.193 25439 474 1 . 1 1 98 98 THR HA H 98 4.224 4.224 4.461 -0.237 25439 475 1 . 1 1 98 98 THR CA C 98 64.670 64.670 62.069 2.601 25439 476 1 . 1 1 98 98 THR CB C 98 69.200 69.200 69.369 -0.169 25439 477 1 . 1 1 98 98 THR H H 98 8.329 8.329 8.215 0.114 25439 478 1 . 1 1 99 99 GLY N N 99 116.645 116.645 113.600 3.045 25439 479 1 . 1 1 99 99 GLY CA C 99 45.047 45.047 44.944 0.103 25439 480 1 . 1 1 99 99 GLY H H 99 9.273 9.273 8.758 0.515 25439 481 1 . 1 1 100 100 TYR N N 100 120.784 120.784 120.673 0.111 25439 482 1 . 1 1 100 100 TYR HA H 100 4.704 4.704 4.700 0.004 25439 483 1 . 1 1 100 100 TYR CA C 100 57.697 57.697 56.112 1.585 25439 484 1 . 1 1 100 100 TYR CB C 100 39.413 39.413 36.799 2.614 25439 485 1 . 1 1 100 100 TYR H H 100 8.457 8.457 8.120 0.337 25439 486 1 . 1 1 101 101 GLU N N 101 119.482 119.482 121.674 -2.192 25439 487 1 . 1 1 101 101 GLU HA H 101 4.601 4.601 4.377 0.224 25439 488 1 . 1 1 101 101 GLU CA C 101 61.207 61.207 57.871 3.336 25439 489 1 . 1 1 101 101 GLU CB C 101 29.648 29.648 30.343 -0.695 25439 490 1 . 1 1 101 101 GLU H H 101 9.836 9.836 8.320 1.516 25439 491 1 . 1 1 102 102 LYS N N 102 115.179 115.179 120.508 -5.329 25439 492 1 . 1 1 102 102 LYS HA H 102 4.295 4.295 4.631 -0.336 25439 493 1 . 1 1 102 102 LYS CA C 102 54.207 54.207 55.402 -1.195 25439 494 1 . 1 1 102 102 LYS CB C 102 32.489 32.489 32.646 -0.157 25439 495 1 . 1 1 102 102 LYS H H 102 8.291 8.291 8.000 0.291 25439 496 1 . 1 1 103 103 LEU N N 103 119.637 119.637 120.549 -0.912 25439 497 1 . 1 1 103 103 LEU HA H 103 4.385 4.385 4.947 -0.562 25439 498 1 . 1 1 103 103 LEU CA C 103 56.549 56.549 54.157 2.392 25439 499 1 . 1 1 103 103 LEU CB C 103 43.864 43.864 44.527 -0.663 25439 500 1 . 1 1 103 103 LEU H H 103 7.642 7.642 8.079 -0.437 25439 501 1 . 1 1 104 104 CYS N N 104 129.651 129.651 118.618 11.033 25439 502 1 . 1 1 104 104 CYS HA H 104 4.498 4.498 5.074 -0.576 25439 503 1 . 1 1 104 104 CYS CA C 104 58.076 58.076 58.484 -0.408 25439 504 1 . 1 1 104 104 CYS CB C 104 32.301 32.301 28.235 4.066 25439 505 1 . 1 1 104 104 CYS H H 104 8.638 8.638 8.905 -0.267 25439 506 1 . 1 1 105 105 CYS N N 105 120.206 120.206 118.150 2.056 25439 507 1 . 1 1 105 105 CYS HA H 105 4.806 4.806 4.793 0.013 25439 508 1 . 1 1 105 105 CYS CA C 105 58.271 58.271 56.991 1.280 25439 509 1 . 1 1 105 105 CYS CB C 105 32.062 32.062 30.080 1.982 25439 510 1 . 1 1 105 105 CYS H H 105 8.158 8.158 7.976 0.182 25439 511 1 . 1 1 106 106 LEU N N 106 115.513 115.513 120.983 -5.470 25439 512 1 . 1 1 106 106 LEU HA H 106 4.054 4.054 4.236 -0.182 25439 513 1 . 1 1 106 106 LEU CA C 106 56.110 56.110 56.649 -0.539 25439 514 1 . 1 1 106 106 LEU CB C 106 41.227 41.227 42.314 -1.087 25439 515 1 . 1 1 106 106 LEU H H 106 8.466 8.466 8.224 0.242 25439 516 1 . 1 1 107 107 ARG N N 107 122.711 122.711 118.758 3.953 25439 517 1 . 1 1 107 107 ARG HA H 107 3.993 3.993 4.336 -0.343 25439 518 1 . 1 1 107 107 ARG CA C 107 58.311 58.311 56.345 1.966 25439 519 1 . 1 1 107 107 ARG CB C 107 28.965 28.965 29.352 -0.387 25439 520 1 . 1 1 107 107 ARG H H 107 8.131 8.131 8.139 -0.008 25439 521 1 . 1 1 108 108 CYS N N 108 119.055 119.055 118.039 1.016 25439 522 1 . 1 1 108 108 CYS HA H 108 4.101 4.101 4.721 -0.620 25439 523 1 . 1 1 108 108 CYS CA C 108 63.936 63.936 57.905 6.031 25439 524 1 . 1 1 108 108 CYS CB C 108 30.934 30.934 27.530 3.404 25439 525 1 . 1 1 108 108 CYS H H 108 8.010 8.010 8.011 -0.001 25439 526 1 . 1 1 109 109 ILE N N 109 107.315 107.315 113.884 -6.569 25439 527 1 . 1 1 109 109 ILE HA H 109 4.684 4.684 4.392 0.292 25439 528 1 . 1 1 109 109 ILE CA C 109 60.483 60.483 61.338 -0.855 25439 529 1 . 1 1 109 109 ILE CB C 109 38.320 38.320 38.774 -0.454 25439 530 1 . 1 1 109 109 ILE H H 109 7.105 7.105 7.565 -0.460 25439 531 1 . 1 1 110 110 GLN N N 110 122.468 122.468 120.511 1.957 25439 532 1 . 1 1 110 110 GLN HA H 110 4.268 4.268 4.522 -0.254 25439 533 1 . 1 1 110 110 GLN CA C 110 55.981 55.981 55.233 0.748 25439 534 1 . 1 1 110 110 GLN CB C 110 29.656 29.656 30.431 -0.775 25439 535 1 . 1 1 110 110 GLN H H 110 7.156 7.156 8.057 -0.901 25439 536 1 . 1 1 111 111 LYS N N 111 124.650 124.650 122.216 2.434 25439 537 1 . 1 1 111 111 LYS HA H 111 4.246 4.246 4.606 -0.360 25439 538 1 . 1 1 111 111 LYS CA C 111 56.546 56.546 55.812 0.734 25439 539 1 . 1 1 111 111 LYS CB C 111 32.846 32.846 34.205 -1.359 25439 540 1 . 1 1 111 111 LYS H H 111 8.522 8.522 8.420 0.102 25439 541 1 . 1 1 112 112 ASN N N 112 120.972 120.972 117.371 3.601 25439 542 1 . 1 1 112 112 ASN HA H 112 4.778 4.778 4.725 0.053 25439 543 1 . 1 1 112 112 ASN CA C 112 52.902 52.902 53.663 -0.761 25439 544 1 . 1 1 112 112 ASN CB C 112 39.328 39.328 39.710 -0.382 25439 545 1 . 1 1 112 112 ASN H H 112 8.360 8.360 8.498 -0.138 25439 546 1 . 1 1 113 113 GLU N N 113 121.710 121.710 119.828 1.882 25439 547 1 . 1 1 113 113 GLU HA H 113 4.248 4.248 4.532 -0.284 25439 548 1 . 1 1 113 113 GLU CA C 113 58.611 58.611 56.178 2.433 25439 549 1 . 1 1 113 113 GLU CB C 113 29.590 29.590 30.638 -1.048 25439 550 1 . 1 1 113 113 GLU H H 113 9.023 9.023 8.469 0.554 25439 551 1 . 1 1 114 114 THR N N 114 112.186 112.186 114.518 -2.332 25439 552 1 . 1 1 114 114 THR HA H 114 4.321 4.321 4.501 -0.180 25439 553 1 . 1 1 114 114 THR CA C 114 63.161 63.161 61.999 1.162 25439 554 1 . 1 1 114 114 THR CB C 114 69.481 69.481 69.529 -0.048 25439 555 1 . 1 1 114 114 THR H H 114 8.112 8.112 8.242 -0.130 25439 556 1 . 1 1 115 115 ASN N N 115 119.112 119.112 119.585 -0.473 25439 557 1 . 1 1 115 115 ASN HA H 115 4.829 4.829 4.767 0.062 25439 558 1 . 1 1 115 115 ASN CA C 115 53.110 53.110 53.301 -0.191 25439 559 1 . 1 1 115 115 ASN CB C 115 38.659 38.659 39.497 -0.838 25439 560 1 . 1 1 115 115 ASN H H 115 8.047 8.047 8.411 -0.364 25439 561 1 . 1 1 116 116 ASN N N 116 117.175 117.175 118.564 -1.389 25439 562 1 . 1 1 116 116 ASN HA H 116 4.615 4.615 4.806 -0.191 25439 563 1 . 1 1 116 116 ASN CA C 116 53.965 53.965 53.065 0.900 25439 564 1 . 1 1 116 116 ASN CB C 116 38.173 38.173 39.085 -0.911 25439 565 1 . 1 1 116 116 ASN H H 116 8.364 8.364 8.386 -0.022 25439 566 1 . 1 1 117 117 GLY N N 117 107.294 107.294 108.945 -1.651 25439 567 1 . 1 1 117 117 GLY CA C 117 45.882 45.882 44.938 0.944 25439 568 1 . 1 1 117 117 GLY H H 117 8.264 8.264 8.311 -0.047 25439 569 1 . 1 1 118 118 SER N N 118 115.475 115.475 117.338 -1.863 25439 570 1 . 1 1 118 118 SER HA H 118 4.586 4.586 4.708 -0.122 25439 571 1 . 1 1 118 118 SER CA C 118 57.974 57.974 57.755 0.219 25439 572 1 . 1 1 118 118 SER CB C 118 64.479 64.479 64.709 -0.230 25439 573 1 . 1 1 118 118 SER H H 118 7.905 7.905 8.360 -0.455 25439 574 1 . 1 1 119 119 THR N N 119 111.360 111.360 116.229 -4.869 25439 575 1 . 1 1 119 119 THR HA H 119 4.450 4.450 4.603 -0.153 25439 576 1 . 1 1 119 119 THR CA C 119 61.215 61.215 61.182 0.033 25439 577 1 . 1 1 119 119 THR CB C 119 70.569 70.569 70.854 -0.286 25439 578 1 . 1 1 119 119 THR H H 119 8.044 8.044 8.013 0.031 25439 579 1 . 1 1 120 120 CYS N N 120 122.708 122.708 121.391 1.317 25439 580 1 . 1 1 120 120 CYS HA H 120 4.255 4.255 4.684 -0.429 25439 581 1 . 1 1 120 120 CYS CA C 120 61.469 61.469 58.110 3.359 25439 582 1 . 1 1 120 120 CYS CB C 120 30.892 30.892 28.998 1.894 25439 583 1 . 1 1 120 120 CYS H H 120 8.045 8.045 8.489 -0.444 25439 584 1 . 1 1 121 121 ILE N N 121 132.463 132.463 123.905 8.558 25439 585 1 . 1 1 121 121 ILE HA H 121 4.025 4.025 3.831 0.194 25439 586 1 . 1 1 121 121 ILE CA C 121 63.353 63.353 63.128 0.225 25439 587 1 . 1 1 121 121 ILE CB C 121 38.222 38.222 37.708 0.514 25439 588 1 . 1 1 121 121 ILE H H 121 8.237 8.237 8.437 -0.200 25439 589 1 . 1 1 122 122 CYS N N 122 123.931 123.931 117.852 6.079 25439 590 1 . 1 1 122 122 CYS HA H 122 4.233 4.233 4.002 0.231 25439 591 1 . 1 1 122 122 CYS CA C 122 60.230 60.230 60.433 -0.203 25439 592 1 . 1 1 122 122 CYS CB C 122 30.602 30.602 25.889 4.713 25439 593 1 . 1 1 122 122 CYS H H 122 9.355 9.355 7.549 1.806 25439 594 1 . 1 1 123 123 ARG N N 123 119.561 119.561 121.122 -1.561 25439 595 1 . 1 1 123 123 ARG HA H 123 4.150 4.150 4.322 -0.172 25439 596 1 . 1 1 123 123 ARG CA C 123 53.177 53.177 58.140 -4.963 25439 597 1 . 1 1 123 123 ARG CB C 123 27.961 27.961 30.420 -2.459 25439 598 1 . 1 1 123 123 ARG H H 123 7.677 7.677 7.702 -0.025 25439 599 1 . 1 1 124 124 VAL N N 124 122.794 122.794 121.113 1.681 25439 600 1 . 1 1 124 124 VAL HA H 124 4.081 4.081 4.089 -0.008 25439 601 1 . 1 1 124 124 VAL CA C 124 60.647 60.647 60.549 0.097 25439 602 1 . 1 1 124 124 VAL CB C 124 32.857 32.857 31.326 1.531 25439 603 1 . 1 1 124 124 VAL H H 124 7.578 7.578 7.409 0.169 25439 604 1 . 1 1 125 125 PRO HA H 125 4.263 4.263 4.530 -0.267 25439 605 1 . 1 1 125 125 PRO CA C 125 63.268 63.268 62.347 0.921 25439 606 1 . 1 1 125 125 PRO CB C 125 32.379 32.379 32.839 -0.460 25439 607 1 . 1 1 126 126 ARG N N 126 128.350 128.350 119.926 8.424 25439 608 1 . 1 1 126 126 ARG HA H 126 3.912 3.912 4.054 -0.142 25439 609 1 . 1 1 126 126 ARG CA C 126 59.653 59.653 59.289 0.364 25439 610 1 . 1 1 126 126 ARG CB C 126 29.339 29.339 29.482 -0.143 25439 611 1 . 1 1 126 126 ARG H H 126 9.534 9.534 8.801 0.733 25439 612 1 . 1 1 127 127 ALA N N 127 119.169 119.169 121.641 -2.472 25439 613 1 . 1 1 127 127 ALA HA H 127 4.192 4.192 4.106 0.086 25439 614 1 . 1 1 127 127 ALA CA C 127 55.227 55.227 55.109 0.118 25439 615 1 . 1 1 127 127 ALA CB C 127 18.363 18.363 17.990 0.373 25439 616 1 . 1 1 127 127 ALA H H 127 9.263 9.263 8.422 0.841 25439 617 1 . 1 1 128 128 GLN N N 128 117.345 117.345 118.281 -0.936 25439 618 1 . 1 1 128 128 GLN HA H 128 4.209 4.209 4.095 0.114 25439 619 1 . 1 1 128 128 GLN CA C 128 58.506 58.506 58.675 -0.169 25439 620 1 . 1 1 128 128 GLN CB C 128 28.220 28.220 28.271 -0.051 25439 621 1 . 1 1 128 128 GLN H H 128 7.448 7.448 8.316 -0.868 25439 622 1 . 1 1 129 129 LEU N N 129 120.561 120.561 120.437 0.124 25439 623 1 . 1 1 129 129 LEU HA H 129 4.088 4.088 4.017 0.071 25439 624 1 . 1 1 129 129 LEU CA C 129 57.952 57.952 57.890 0.062 25439 625 1 . 1 1 129 129 LEU CB C 129 41.817 41.817 41.871 -0.054 25439 626 1 . 1 1 129 129 LEU H H 129 7.622 7.622 7.557 0.065 25439 627 1 . 1 1 130 130 GLU N N 130 119.122 119.122 118.696 0.426 25439 628 1 . 1 1 130 130 GLU HA H 130 3.956 3.956 3.906 0.050 25439 629 1 . 1 1 130 130 GLU CA C 130 59.353 59.353 59.851 -0.498 25439 630 1 . 1 1 130 130 GLU CB C 130 29.337 29.337 29.300 0.037 25439 631 1 . 1 1 130 130 GLU H H 130 8.656 8.656 8.545 0.111 25439 632 1 . 1 1 131 131 GLU N N 131 121.469 121.469 119.175 2.294 25439 633 1 . 1 1 131 131 GLU HA H 131 4.163 4.163 4.004 0.159 25439 634 1 . 1 1 131 131 GLU CA C 131 59.288 59.288 59.634 -0.346 25439 635 1 . 1 1 131 131 GLU CB C 131 29.422 29.422 29.459 -0.037 25439 636 1 . 1 1 131 131 GLU H H 131 7.922 7.922 7.813 0.109 25439 637 1 . 1 1 132 132 GLU N N 132 119.241 119.241 119.189 0.052 25439 638 1 . 1 1 132 132 GLU HA H 132 3.998 3.998 4.021 -0.023 25439 639 1 . 1 1 132 132 GLU CA C 132 59.327 59.327 59.275 0.052 25439 640 1 . 1 1 132 132 GLU CB C 132 29.421 29.421 29.306 0.115 25439 641 1 . 1 1 132 132 GLU H H 132 8.099 8.099 7.609 0.490 25439 642 1 . 1 1 133 133 ALA N N 133 121.302 121.302 121.811 -0.509 25439 643 1 . 1 1 133 133 ALA HA H 133 4.053 4.053 4.040 0.013 25439 644 1 . 1 1 133 133 ALA CA C 133 54.973 54.973 55.142 -0.169 25439 645 1 . 1 1 133 133 ALA CB C 133 18.154 18.154 18.288 -0.134 25439 646 1 . 1 1 133 133 ALA H H 133 7.795 7.795 7.601 0.194 25439 647 1 . 1 1 134 134 ARG N N 134 118.757 118.757 118.068 0.689 25439 648 1 . 1 1 134 134 ARG HA H 134 4.143 4.143 4.050 0.093 25439 649 1 . 1 1 134 134 ARG CA C 134 59.438 59.438 58.997 0.441 25439 650 1 . 1 1 134 134 ARG CB C 134 30.148 30.148 30.053 0.095 25439 651 1 . 1 1 134 134 ARG H H 134 8.145 8.145 7.910 0.235 25439 652 1 . 1 1 135 135 LYS N N 135 119.496 119.496 119.100 0.396 25439 653 1 . 1 1 135 135 LYS HA H 135 4.073 4.073 4.179 -0.106 25439 654 1 . 1 1 135 135 LYS CA C 135 59.327 59.327 58.541 0.786 25439 655 1 . 1 1 135 135 LYS CB C 135 32.539 32.539 32.562 -0.023 25439 656 1 . 1 1 135 135 LYS H H 135 8.036 8.036 7.696 0.340 25439 657 1 . 1 1 136 136 LYS N N 136 116.645 116.645 117.472 -0.827 25439 658 1 . 1 1 136 136 LYS HA H 136 4.362 4.362 4.391 -0.029 25439 659 1 . 1 1 136 136 LYS CA C 136 56.575 56.575 55.649 0.926 25439 660 1 . 1 1 136 136 LYS CB C 136 33.629 33.629 32.629 1.000 25439 661 1 . 1 1 136 136 LYS H H 136 7.682 7.682 7.710 -0.028 25439 662 1 . 1 1 137 137 GLY N N 137 109.349 109.349 108.822 0.527 25439 663 1 . 1 1 137 137 GLY CA C 137 46.358 46.358 45.986 0.372 25439 664 1 . 1 1 137 137 GLY H H 137 8.064 8.064 7.846 0.218 25439 665 1 . 1 1 138 138 THR N N 138 112.870 112.870 113.360 -0.490 25439 666 1 . 1 1 138 138 THR HA H 138 4.735 4.735 4.636 0.099 25439 667 1 . 1 1 138 138 THR CA C 138 59.308 59.308 60.520 -1.212 25439 668 1 . 1 1 138 138 THR CB C 138 70.755 70.755 70.625 0.130 25439 669 1 . 1 1 138 138 THR H H 138 8.111 8.111 8.066 0.045 25439 670 1 . 1 1 139 139 GLN N N 139 118.177 118.177 119.610 -1.433 25439 671 1 . 1 1 139 139 GLN HA H 139 4.609 4.609 4.621 -0.012 25439 672 1 . 1 1 139 139 GLN CA C 139 54.435 54.435 55.127 -0.692 25439 673 1 . 1 1 139 139 GLN CB C 139 30.777 30.777 31.080 -0.303 25439 674 1 . 1 1 139 139 GLN H H 139 8.227 8.227 8.324 -0.097 25439 675 1 . 1 1 140 140 VAL N N 140 123.601 123.601 120.290 3.311 25439 676 1 . 1 1 140 140 VAL HA H 140 3.790 3.790 4.440 -0.650 25439 677 1 . 1 1 140 140 VAL CA C 140 63.934 63.934 61.501 2.433 25439 678 1 . 1 1 140 140 VAL CB C 140 32.154 32.154 34.017 -1.863 25439 679 1 . 1 1 140 140 VAL H H 140 8.839 8.839 8.306 0.533 25439 680 1 . 1 1 141 141 SER HA H 141 4.524 4.524 4.625 -0.101 25439 681 1 . 1 1 141 141 SER CA C 141 57.841 57.841 58.161 -0.320 25439 682 1 . 1 1 141 141 SER CB C 141 64.174 64.174 63.698 0.476 25439 683 1 . 1 1 142 142 PHE N N 142 123.726 123.726 125.798 -2.072 25439 684 1 . 1 1 142 142 PHE HA H 142 4.458 4.458 4.784 -0.326 25439 685 1 . 1 1 142 142 PHE CA C 142 58.673 58.673 57.884 0.789 25439 686 1 . 1 1 142 142 PHE CB C 142 40.055 40.055 41.115 -1.060 25439 687 1 . 1 1 142 142 PHE H H 142 7.534 7.534 8.259 -0.725 25439 688 1 . 1 1 143 143 HIS N N 143 126.548 126.548 118.917 7.631 25439 689 1 . 1 1 143 143 HIS HA H 143 4.336 4.336 4.397 -0.061 25439 690 1 . 1 1 143 143 HIS CA C 143 56.837 56.837 56.118 0.719 25439 691 1 . 1 1 143 143 HIS CB C 143 31.949 31.949 32.237 -0.288 25439 692 1 . 1 1 143 143 HIS H H 143 8.308 8.308 7.304 1.004 25439 693 1 . 1 1 144 144 GLN N N 144 115.094 115.094 116.020 -0.926 25439 694 1 . 1 1 144 144 GLN HA H 144 4.433 4.433 4.581 -0.148 25439 695 1 . 1 1 144 144 GLN CA C 144 54.210 54.210 53.342 0.868 25439 696 1 . 1 1 144 144 GLN CB C 144 32.925 32.925 31.895 1.030 25439 697 1 . 1 1 144 144 GLN H H 144 7.203 7.203 6.996 0.207 25439 698 1 . 1 1 145 145 CYS N N 145 123.088 123.088 118.603 4.485 25439 699 1 . 1 1 145 145 CYS HA H 145 4.961 4.961 5.024 -0.063 25439 700 1 . 1 1 145 145 CYS CA C 145 57.978 57.978 56.985 0.993 25439 701 1 . 1 1 145 145 CYS CB C 145 33.555 33.555 29.899 3.656 25439 702 1 . 1 1 145 145 CYS H H 145 8.668 8.668 8.513 0.155 25439 703 1 . 1 1 146 146 VAL N N 146 113.265 113.265 119.709 -6.444 25439 704 1 . 1 1 146 146 VAL HA H 146 4.238 4.238 4.201 0.037 25439 705 1 . 1 1 146 146 VAL CA C 146 64.001 64.001 65.081 -1.080 25439 706 1 . 1 1 146 146 VAL CB C 146 32.157 32.157 32.087 0.070 25439 707 1 . 1 1 146 146 VAL H H 146 8.198 8.198 8.406 -0.208 25439 708 1 . 1 1 147 147 HIS N N 147 120.556 120.556 118.510 2.046 25439 709 1 . 1 1 147 147 HIS HA H 147 4.604 4.604 4.351 0.253 25439 710 1 . 1 1 147 147 HIS CA C 147 58.708 58.708 58.394 0.314 25439 711 1 . 1 1 147 147 HIS CB C 147 32.204 32.204 29.312 2.892 25439 712 1 . 1 1 147 147 HIS H H 147 7.151 7.151 8.329 -1.178 25439 713 1 . 1 1 148 148 CYS N N 148 112.110 112.110 112.447 -0.337 25439 714 1 . 1 1 148 148 CYS HA H 148 4.889 4.889 4.685 0.204 25439 715 1 . 1 1 148 148 CYS CA C 148 57.952 57.952 55.602 2.350 25439 716 1 . 1 1 148 148 CYS CB C 148 32.956 32.956 30.210 2.746 25439 717 1 . 1 1 148 148 CYS H H 148 7.413 7.413 7.240 0.173 25439 718 1 . 1 1 149 149 GLY N N 149 112.797 112.797 108.212 4.585 25439 719 1 . 1 1 149 149 GLY CA C 149 45.327 45.327 44.387 0.940 25439 720 1 . 1 1 149 149 GLY H H 149 6.949 6.949 8.297 -1.348 25439 721 1 . 1 1 150 150 CYS N N 150 127.277 127.277 120.265 7.012 25439 722 1 . 1 1 150 150 CYS HA H 150 3.932 3.932 4.559 -0.627 25439 723 1 . 1 1 150 150 CYS CA C 150 61.362 61.362 57.197 4.165 25439 724 1 . 1 1 150 150 CYS CB C 150 30.632 30.632 29.754 0.879 25439 725 1 . 1 1 150 150 CYS H H 150 8.240 8.240 7.149 1.091 25439 726 1 . 1 1 151 151 ARG N N 151 125.476 125.476 127.080 -1.604 25439 727 1 . 1 1 151 151 ARG HA H 151 4.775 4.775 4.333 0.442 25439 728 1 . 1 1 151 151 ARG CA C 151 56.164 56.164 55.109 1.055 25439 729 1 . 1 1 151 151 ARG CB C 151 30.354 30.354 29.278 1.076 25439 730 1 . 1 1 151 151 ARG H H 151 8.492 8.492 8.639 -0.147 25439 731 1 . 1 1 152 152 GLY N N 152 117.275 117.275 108.439 8.836 25439 732 1 . 1 1 152 152 GLY CA C 152 45.523 45.523 45.412 0.111 25439 733 1 . 1 1 152 152 GLY H H 152 9.812 9.812 7.726 2.086 25439 734 1 . 1 1 153 153 CYS N N 153 126.187 126.187 118.866 7.321 25439 735 1 . 1 1 153 153 CYS HA H 153 4.842 4.842 4.812 0.030 25439 736 1 . 1 1 153 153 CYS CA C 153 57.130 57.130 55.804 1.326 25439 737 1 . 1 1 153 153 CYS CB C 153 31.368 31.368 27.976 3.392 25439 738 1 . 1 1 153 153 CYS H H 153 8.930 8.930 8.198 0.732 25439 739 1 . 1 1 154 154 ALA N N 154 125.869 125.869 126.161 -0.292 25439 740 1 . 1 1 154 154 ALA HA H 154 4.159 4.159 4.961 -0.802 25439 741 1 . 1 1 154 154 ALA CA C 154 53.187 53.187 51.474 1.714 25439 742 1 . 1 1 154 154 ALA CB C 154 18.937 18.937 21.366 -2.429 25439 743 1 . 1 1 154 154 ALA H H 154 8.616 8.616 8.391 0.225 25439 744 1 . 1 1 155 155 SER N N 155 116.724 116.724 117.819 -1.095 25439 745 1 . 1 1 155 155 SER HA H 155 4.283 4.283 4.464 -0.181 25439 746 1 . 1 1 155 155 SER CA C 155 60.136 60.136 59.779 0.357 25439 747 1 . 1 1 155 155 SER CB C 155 63.575 63.575 63.863 -0.288 25439 748 1 . 1 1 155 155 SER H H 155 9.358 9.358 8.805 0.553 25439 749 1 . 1 1 156 156 THR N N 156 111.893 111.893 115.031 -3.138 25439 750 1 . 1 1 156 156 THR HA H 156 4.358 4.358 4.220 0.138 25439 751 1 . 1 1 156 156 THR CA C 156 61.264 61.264 63.864 -2.600 25439 752 1 . 1 1 156 156 THR CB C 156 69.999 69.999 69.056 0.943 25439 753 1 . 1 1 156 156 THR H H 156 7.638 7.638 8.116 -0.478 25439 stop_ save_