data_25933 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25933 _Entry.PDB_ID 2NAA 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 25933 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ALA N N 2 124.503 124.503 121.104 3.399 25933 2 1 1 . 1 1 2 2 ALA HA H 2 4.337 4.337 4.767 -0.430 25933 3 1 1 . 1 1 2 2 ALA C C 2 177.688 177.688 176.861 0.827 25933 4 1 1 . 1 1 2 2 ALA CA C 2 52.598 52.598 53.390 -0.792 25933 5 1 1 . 1 1 2 2 ALA CB C 2 19.375 19.375 19.494 -0.119 25933 6 1 1 . 1 1 2 2 ALA H H 2 8.639 8.639 8.797 -0.158 25933 7 1 1 . 1 1 3 3 MET N N 3 120.183 120.183 116.836 3.347 25933 8 1 1 . 1 1 3 3 MET HA H 3 4.402 4.402 4.467 -0.065 25933 9 1 1 . 1 1 3 3 MET C C 3 176.072 176.072 174.707 1.365 25933 10 1 1 . 1 1 3 3 MET CA C 3 55.636 55.636 56.554 -0.918 25933 11 1 1 . 1 1 3 3 MET CB C 3 32.936 32.936 33.623 -0.687 25933 12 1 1 . 1 1 3 3 MET H H 3 8.483 8.483 7.900 0.583 25933 13 1 1 . 1 1 4 4 GLU N N 4 123.573 123.573 119.015 4.558 25933 14 1 1 . 1 1 4 4 GLU HA H 4 4.255 4.255 4.554 -0.299 25933 15 1 1 . 1 1 4 4 GLU C C 4 175.719 175.719 174.002 1.717 25933 16 1 1 . 1 1 4 4 GLU CA C 4 56.516 56.516 55.222 1.294 25933 17 1 1 . 1 1 4 4 GLU CB C 4 30.209 30.209 32.607 -2.398 25933 18 1 1 . 1 1 4 4 GLU H H 4 8.417 8.417 7.944 0.473 25933 19 1 1 . 1 1 5 5 ARG N N 5 121.879 121.879 121.687 0.192 25933 20 1 1 . 1 1 5 5 ARG HA H 5 4.327 4.327 4.694 -0.367 25933 21 1 1 . 1 1 5 5 ARG C C 5 175.991 175.991 175.278 0.713 25933 22 1 1 . 1 1 5 5 ARG CA C 5 55.879 55.879 55.907 -0.028 25933 23 1 1 . 1 1 5 5 ARG CB C 5 31.336 31.336 31.186 0.150 25933 24 1 1 . 1 1 5 5 ARG H H 5 8.099 8.099 8.595 -0.496 25933 25 1 1 . 1 1 6 6 GLU N N 6 124.508 124.508 125.794 -1.286 25933 26 1 1 . 1 1 6 6 GLU HA H 6 4.245 4.245 4.149 0.096 25933 27 1 1 . 1 1 6 6 GLU C C 6 174.941 174.941 175.885 -0.944 25933 28 1 1 . 1 1 6 6 GLU CA C 6 56.775 56.775 57.108 -0.333 25933 29 1 1 . 1 1 6 6 GLU CB C 6 30.421 30.421 30.331 0.090 25933 30 1 1 . 1 1 6 6 GLU H H 6 8.560 8.560 8.447 0.113 25933 31 1 1 . 1 1 7 7 ASP N N 7 117.067 117.067 122.149 -5.082 25933 32 1 1 . 1 1 7 7 ASP HA H 7 4.520 4.520 4.731 -0.211 25933 33 1 1 . 1 1 7 7 ASP C C 7 174.744 174.744 175.046 -0.302 25933 34 1 1 . 1 1 7 7 ASP CA C 7 53.697 53.697 54.000 -0.303 25933 35 1 1 . 1 1 7 7 ASP CB C 7 42.222 42.222 39.694 2.528 25933 36 1 1 . 1 1 7 7 ASP H H 7 8.237 8.237 8.692 -0.455 25933 37 1 1 . 1 1 8 8 GLU N N 8 116.268 116.268 119.233 -2.965 25933 38 1 1 . 1 1 8 8 GLU HA H 8 4.083 4.083 4.427 -0.344 25933 39 1 1 . 1 1 8 8 GLU C C 8 173.257 173.257 173.894 -0.637 25933 40 1 1 . 1 1 8 8 GLU CA C 8 54.382 54.382 55.199 -0.817 25933 41 1 1 . 1 1 8 8 GLU CB C 8 32.438 32.438 32.622 -0.184 25933 42 1 1 . 1 1 8 8 GLU H H 8 7.005 7.005 7.367 -0.362 25933 43 1 1 . 1 1 9 9 CYS N N 9 124.211 124.211 124.684 -0.473 25933 44 1 1 . 1 1 9 9 CYS HA H 9 4.157 4.157 4.975 -0.818 25933 45 1 1 . 1 1 9 9 CYS C C 9 178.384 178.384 175.918 2.466 25933 46 1 1 . 1 1 9 9 CYS CA C 9 57.640 57.640 57.373 0.267 25933 47 1 1 . 1 1 9 9 CYS CB C 9 31.396 31.396 26.593 4.803 25933 48 1 1 . 1 1 9 9 CYS H H 9 8.220 8.220 8.695 -0.475 25933 49 1 1 . 1 1 10 10 PHE N N 10 131.759 131.759 128.100 3.659 25933 50 1 1 . 1 1 10 10 PHE HA H 10 4.695 4.695 4.072 0.623 25933 51 1 1 . 1 1 10 10 PHE C C 10 176.194 176.194 175.888 0.306 25933 52 1 1 . 1 1 10 10 PHE CA C 10 55.935 55.935 60.743 -4.808 25933 53 1 1 . 1 1 10 10 PHE CB C 10 38.279 38.279 39.488 -1.209 25933 54 1 1 . 1 1 10 10 PHE H H 10 8.765 8.765 8.051 0.714 25933 55 1 1 . 1 1 11 11 SER N N 11 114.027 114.027 114.368 -0.341 25933 56 1 1 . 1 1 11 11 SER HA H 11 4.331 4.331 4.240 0.091 25933 57 1 1 . 1 1 11 11 SER C C 11 175.836 175.836 175.010 0.826 25933 58 1 1 . 1 1 11 11 SER CA C 11 61.956 61.956 60.912 1.044 25933 59 1 1 . 1 1 11 11 SER CB C 11 63.774 63.774 63.550 0.224 25933 60 1 1 . 1 1 11 11 SER H H 11 8.686 8.686 7.894 0.792 25933 61 1 1 . 1 1 12 12 CYS N N 12 118.224 118.224 117.126 1.098 25933 62 1 1 . 1 1 12 12 CYS HA H 12 5.121 5.121 4.683 0.438 25933 63 1 1 . 1 1 12 12 CYS C C 12 176.817 176.817 176.047 0.770 25933 64 1 1 . 1 1 12 12 CYS CA C 12 58.693 58.693 59.094 -0.401 25933 65 1 1 . 1 1 12 12 CYS CB C 12 32.837 32.837 29.900 2.937 25933 66 1 1 . 1 1 12 12 CYS H H 12 8.195 8.195 7.677 0.518 25933 67 1 1 . 1 1 13 13 GLY N N 13 114.509 114.509 108.991 5.518 25933 68 1 1 . 1 1 13 13 GLY C C 13 173.093 173.093 173.478 -0.385 25933 69 1 1 . 1 1 13 13 GLY CA C 13 46.346 46.346 45.272 1.074 25933 70 1 1 . 1 1 13 13 GLY H H 13 8.385 8.385 8.608 -0.223 25933 71 1 1 . 1 1 14 14 ASP N N 14 122.123 122.123 120.777 1.346 25933 72 1 1 . 1 1 14 14 ASP HA H 14 5.294 5.294 4.956 0.338 25933 73 1 1 . 1 1 14 14 ASP C C 14 176.111 176.111 174.707 1.404 25933 74 1 1 . 1 1 14 14 ASP CA C 14 53.304 53.304 53.593 -0.289 25933 75 1 1 . 1 1 14 14 ASP CB C 14 43.175 43.175 44.136 -0.961 25933 76 1 1 . 1 1 14 14 ASP H H 14 8.512 8.512 7.655 0.857 25933 77 1 1 . 1 1 15 15 ALA N N 15 123.765 123.765 123.127 0.638 25933 78 1 1 . 1 1 15 15 ALA HA H 15 4.679 4.679 4.455 0.224 25933 79 1 1 . 1 1 15 15 ALA C C 15 177.375 177.375 176.853 0.522 25933 80 1 1 . 1 1 15 15 ALA CA C 15 51.216 51.216 51.937 -0.721 25933 81 1 1 . 1 1 15 15 ALA CB C 15 19.842 19.842 20.652 -0.810 25933 82 1 1 . 1 1 15 15 ALA H H 15 8.538 8.538 8.421 0.117 25933 83 1 1 . 1 1 16 16 GLY N N 16 108.898 108.898 108.351 0.547 25933 84 1 1 . 1 1 16 16 GLY C C 16 172.132 172.132 172.862 -0.730 25933 85 1 1 . 1 1 16 16 GLY CA C 16 45.320 45.320 45.077 0.243 25933 86 1 1 . 1 1 16 16 GLY H H 16 8.304 8.304 8.205 0.099 25933 87 1 1 . 1 1 17 17 GLN N N 17 125.473 125.473 122.755 2.718 25933 88 1 1 . 1 1 17 17 GLN HA H 17 4.359 4.359 4.410 -0.051 25933 89 1 1 . 1 1 17 17 GLN C C 17 175.263 175.263 174.976 0.287 25933 90 1 1 . 1 1 17 17 GLN CA C 17 55.779 55.779 55.939 -0.160 25933 91 1 1 . 1 1 17 17 GLN CB C 17 27.927 27.927 28.281 -0.354 25933 92 1 1 . 1 1 17 17 GLN H H 17 8.887 8.887 8.458 0.429 25933 93 1 1 . 1 1 18 18 LEU N N 18 127.246 127.246 125.985 1.261 25933 94 1 1 . 1 1 18 18 LEU HA H 18 4.714 4.714 5.204 -0.490 25933 95 1 1 . 1 1 18 18 LEU C C 18 177.078 177.078 176.262 0.816 25933 96 1 1 . 1 1 18 18 LEU CA C 18 53.755 53.755 53.371 0.384 25933 97 1 1 . 1 1 18 18 LEU CB C 18 44.191 44.191 43.853 0.338 25933 98 1 1 . 1 1 18 18 LEU H H 18 8.322 8.322 8.039 0.283 25933 99 1 1 . 1 1 19 19 VAL N N 19 121.280 121.280 123.341 -2.061 25933 100 1 1 . 1 1 19 19 VAL HA H 19 4.547 4.547 4.438 0.109 25933 101 1 1 . 1 1 19 19 VAL C C 19 175.238 175.238 174.204 1.034 25933 102 1 1 . 1 1 19 19 VAL CA C 19 59.975 59.975 59.913 0.062 25933 103 1 1 . 1 1 19 19 VAL CB C 19 33.809 33.809 34.649 -0.840 25933 104 1 1 . 1 1 19 19 VAL H H 19 9.789 9.789 9.185 0.604 25933 105 1 1 . 1 1 20 20 SER N N 20 118.562 118.562 123.138 -4.576 25933 106 1 1 . 1 1 20 20 SER HA H 20 5.062 5.062 4.751 0.311 25933 107 1 1 . 1 1 20 20 SER C C 20 174.439 174.439 173.885 0.554 25933 108 1 1 . 1 1 20 20 SER CA C 20 57.132 57.132 57.533 -0.401 25933 109 1 1 . 1 1 20 20 SER CB C 20 64.811 64.811 64.572 0.239 25933 110 1 1 . 1 1 20 20 SER H H 20 8.638 8.638 8.491 0.147 25933 111 1 1 . 1 1 21 21 CYS N N 21 125.432 125.432 124.971 0.461 25933 112 1 1 . 1 1 21 21 CYS HA H 21 4.311 4.311 4.655 -0.344 25933 113 1 1 . 1 1 21 21 CYS CA C 21 61.656 61.656 59.314 2.342 25933 114 1 1 . 1 1 21 21 CYS CB C 21 31.029 31.029 27.883 3.147 25933 115 1 1 . 1 1 21 21 CYS H H 21 8.132 8.132 8.460 -0.328 25933 116 1 1 . 1 1 22 22 LYS N N 22 125.587 125.587 124.936 0.651 25933 117 1 1 . 1 1 22 22 LYS HA H 22 4.648 4.648 4.532 0.116 25933 118 1 1 . 1 1 22 22 LYS C C 22 177.460 177.460 175.459 2.001 25933 119 1 1 . 1 1 22 22 LYS H H 22 8.294 8.294 8.504 -0.210 25933 120 1 1 . 1 1 23 23 LYS N N 23 130.703 130.703 121.034 9.669 25933 121 1 1 . 1 1 23 23 LYS HA H 23 4.385 4.385 4.838 -0.453 25933 122 1 1 . 1 1 23 23 LYS CA C 23 55.222 55.222 52.491 2.731 25933 123 1 1 . 1 1 23 23 LYS CB C 23 33.949 33.949 35.210 -1.261 25933 124 1 1 . 1 1 23 23 LYS H H 23 9.496 9.496 7.868 1.628 25933 125 1 1 . 1 1 24 24 PRO HA H 24 4.198 4.198 4.340 -0.142 25933 126 1 1 . 1 1 24 24 PRO C C 24 177.835 177.835 177.446 0.389 25933 127 1 1 . 1 1 24 24 PRO CA C 24 64.454 64.454 64.067 0.387 25933 128 1 1 . 1 1 24 24 PRO CB C 24 31.420 31.420 31.825 -0.405 25933 129 1 1 . 1 1 25 25 GLY N N 25 114.246 114.246 111.667 2.579 25933 130 1 1 . 1 1 25 25 GLY C C 25 173.630 173.630 173.776 -0.146 25933 131 1 1 . 1 1 25 25 GLY CA C 25 45.200 45.200 44.778 0.422 25933 132 1 1 . 1 1 25 25 GLY H H 25 8.823 8.823 8.544 0.279 25933 133 1 1 . 1 1 26 26 CYS N N 26 126.002 126.002 121.228 4.774 25933 134 1 1 . 1 1 26 26 CYS HA H 26 5.014 5.014 4.980 0.034 25933 135 1 1 . 1 1 26 26 CYS CA C 26 56.747 56.747 55.985 0.762 25933 136 1 1 . 1 1 26 26 CYS CB C 26 32.711 32.711 29.079 3.632 25933 137 1 1 . 1 1 26 26 CYS H H 26 8.076 8.076 7.775 0.301 25933 138 1 1 . 1 1 27 27 PRO HA H 27 4.802 4.802 4.963 -0.161 25933 139 1 1 . 1 1 27 27 PRO C C 27 175.970 175.970 175.872 0.098 25933 140 1 1 . 1 1 27 27 PRO CA C 27 63.334 63.334 62.806 0.527 25933 141 1 1 . 1 1 27 27 PRO CB C 27 32.920 32.920 32.030 0.890 25933 142 1 1 . 1 1 28 28 LYS N N 28 121.413 121.413 119.746 1.667 25933 143 1 1 . 1 1 28 28 LYS HA H 28 3.889 3.889 4.273 -0.384 25933 144 1 1 . 1 1 28 28 LYS C C 28 175.961 175.961 174.789 1.172 25933 145 1 1 . 1 1 28 28 LYS CA C 28 55.327 55.327 56.100 -0.773 25933 146 1 1 . 1 1 28 28 LYS CB C 28 32.132 32.132 33.761 -1.629 25933 147 1 1 . 1 1 28 28 LYS H H 28 8.353 8.353 7.414 0.939 25933 148 1 1 . 1 1 29 29 VAL N N 29 115.183 115.183 118.441 -3.258 25933 149 1 1 . 1 1 29 29 VAL HA H 29 5.286 5.286 4.384 0.902 25933 150 1 1 . 1 1 29 29 VAL C C 29 174.480 174.480 173.206 1.274 25933 151 1 1 . 1 1 29 29 VAL CA C 29 58.616 58.616 60.152 -1.536 25933 152 1 1 . 1 1 29 29 VAL CB C 29 35.526 35.526 35.836 -0.310 25933 153 1 1 . 1 1 29 29 VAL H H 29 8.346 8.346 7.948 0.398 25933 154 1 1 . 1 1 30 30 TYR N N 30 114.639 114.639 119.945 -5.306 25933 155 1 1 . 1 1 30 30 TYR HA H 30 5.821 5.821 4.704 1.117 25933 156 1 1 . 1 1 30 30 TYR C C 30 177.221 177.221 174.291 2.930 25933 157 1 1 . 1 1 30 30 TYR CA C 30 56.989 56.989 56.233 0.756 25933 158 1 1 . 1 1 30 30 TYR CB C 30 45.110 45.110 42.477 2.633 25933 159 1 1 . 1 1 30 30 TYR H H 30 8.792 8.792 8.692 0.100 25933 160 1 1 . 1 1 31 31 HIS N N 31 121.470 121.470 118.820 2.650 25933 161 1 1 . 1 1 31 31 HIS HA H 31 4.890 4.890 5.159 -0.269 25933 162 1 1 . 1 1 31 31 HIS C C 31 177.595 177.595 176.091 1.504 25933 163 1 1 . 1 1 31 31 HIS CA C 31 58.141 58.141 55.128 3.013 25933 164 1 1 . 1 1 31 31 HIS CB C 31 30.737 30.737 31.043 -0.306 25933 165 1 1 . 1 1 31 31 HIS H H 31 9.164 9.164 8.300 0.864 25933 166 1 1 . 1 1 32 32 ALA N N 32 129.786 129.786 127.375 2.411 25933 167 1 1 . 1 1 32 32 ALA HA H 32 3.829 3.829 3.883 -0.054 25933 168 1 1 . 1 1 32 32 ALA C C 32 180.494 180.494 178.264 2.230 25933 169 1 1 . 1 1 32 32 ALA CA C 32 56.044 56.044 55.522 0.522 25933 170 1 1 . 1 1 32 32 ALA CB C 32 17.179 17.179 18.816 -1.637 25933 171 1 1 . 1 1 32 32 ALA H H 32 9.768 9.768 8.802 0.966 25933 172 1 1 . 1 1 33 33 ASP N N 33 114.332 114.332 118.015 -3.683 25933 173 1 1 . 1 1 33 33 ASP HA H 33 4.521 4.521 4.365 0.156 25933 174 1 1 . 1 1 33 33 ASP C C 33 179.006 179.006 178.583 0.423 25933 175 1 1 . 1 1 33 33 ASP CA C 33 56.541 56.541 57.603 -1.062 25933 176 1 1 . 1 1 33 33 ASP CB C 33 40.316 40.316 40.800 -0.484 25933 177 1 1 . 1 1 33 33 ASP H H 33 8.832 8.832 8.607 0.225 25933 178 1 1 . 1 1 34 34 CYS N N 34 119.035 119.035 115.884 3.151 25933 179 1 1 . 1 1 34 34 CYS HA H 34 4.224 4.224 4.528 -0.304 25933 180 1 1 . 1 1 34 34 CYS C C 34 175.978 175.978 176.518 -0.540 25933 181 1 1 . 1 1 34 34 CYS CA C 34 63.491 63.491 59.370 4.120 25933 182 1 1 . 1 1 34 34 CYS CB C 34 28.925 28.925 26.619 2.306 25933 183 1 1 . 1 1 34 34 CYS H H 34 7.364 7.364 8.498 -1.134 25933 184 1 1 . 1 1 35 35 LEU N N 35 118.363 118.363 120.115 -1.752 25933 185 1 1 . 1 1 35 35 LEU HA H 35 4.404 4.404 4.390 0.014 25933 186 1 1 . 1 1 35 35 LEU C C 35 176.327 176.327 176.624 -0.297 25933 187 1 1 . 1 1 35 35 LEU CA C 35 53.966 53.966 54.572 -0.606 25933 188 1 1 . 1 1 35 35 LEU CB C 35 42.982 42.982 41.922 1.060 25933 189 1 1 . 1 1 35 35 LEU H H 35 7.135 7.135 7.590 -0.455 25933 190 1 1 . 1 1 36 36 ASN N N 36 116.501 116.501 116.627 -0.126 25933 191 1 1 . 1 1 36 36 ASN HA H 36 4.461 4.461 4.376 0.085 25933 192 1 1 . 1 1 36 36 ASN C C 36 175.075 175.075 175.071 0.004 25933 193 1 1 . 1 1 36 36 ASN CA C 36 54.055 54.055 53.696 0.359 25933 194 1 1 . 1 1 36 36 ASN CB C 36 37.552 37.552 37.773 -0.221 25933 195 1 1 . 1 1 36 36 ASN H H 36 7.974 7.974 7.764 0.210 25933 196 1 1 . 1 1 37 37 LEU N N 37 119.139 119.139 120.586 -1.447 25933 197 1 1 . 1 1 37 37 LEU HA H 37 4.472 4.472 4.486 -0.014 25933 198 1 1 . 1 1 37 37 LEU C C 37 178.114 178.114 177.084 1.030 25933 199 1 1 . 1 1 37 37 LEU CA C 37 54.421 54.421 54.557 -0.136 25933 200 1 1 . 1 1 37 37 LEU CB C 37 42.937 42.937 39.757 3.180 25933 201 1 1 . 1 1 37 37 LEU H H 37 7.953 7.953 8.442 -0.489 25933 202 1 1 . 1 1 38 38 THR N N 38 113.698 113.698 116.261 -2.563 25933 203 1 1 . 1 1 38 38 THR HA H 38 4.224 4.224 4.120 0.104 25933 204 1 1 . 1 1 38 38 THR C C 38 174.325 174.325 174.905 -0.580 25933 205 1 1 . 1 1 38 38 THR CA C 38 62.608 62.608 64.398 -1.790 25933 206 1 1 . 1 1 38 38 THR CB C 38 69.163 69.163 69.070 0.093 25933 207 1 1 . 1 1 38 38 THR H H 38 8.465 8.465 7.750 0.715 25933 208 1 1 . 1 1 39 39 LYS N N 39 120.070 120.070 122.593 -2.523 25933 209 1 1 . 1 1 39 39 LYS HA H 39 4.383 4.383 4.232 0.151 25933 210 1 1 . 1 1 39 39 LYS C C 39 175.570 175.570 175.327 0.243 25933 211 1 1 . 1 1 39 39 LYS CA C 39 54.864 54.864 55.865 -1.001 25933 212 1 1 . 1 1 39 39 LYS CB C 39 34.079 34.079 33.383 0.695 25933 213 1 1 . 1 1 39 39 LYS H H 39 7.595 7.595 8.097 -0.502 25933 214 1 1 . 1 1 40 40 ARG N N 40 123.383 123.383 126.327 -2.944 25933 215 1 1 . 1 1 40 40 ARG HA H 40 4.163 4.163 4.490 -0.327 25933 216 1 1 . 1 1 40 40 ARG CA C 40 54.474 54.474 54.494 -0.020 25933 217 1 1 . 1 1 40 40 ARG CB C 40 29.745 29.745 30.111 -0.366 25933 218 1 1 . 1 1 40 40 ARG H H 40 8.372 8.372 8.458 -0.086 25933 219 1 1 . 1 1 41 41 PRO HA H 41 4.081 4.081 4.395 -0.314 25933 220 1 1 . 1 1 41 41 PRO C C 41 176.215 176.215 175.447 0.768 25933 221 1 1 . 1 1 41 41 PRO CA C 41 63.151 63.151 63.190 -0.038 25933 222 1 1 . 1 1 41 41 PRO CB C 41 32.154 32.154 32.346 -0.192 25933 223 1 1 . 1 1 42 42 ALA N N 42 126.233 126.233 125.456 0.777 25933 224 1 1 . 1 1 42 42 ALA HA H 42 4.447 4.447 4.514 -0.067 25933 225 1 1 . 1 1 42 42 ALA C C 42 177.947 177.947 177.305 0.642 25933 226 1 1 . 1 1 42 42 ALA CA C 42 51.741 51.741 51.584 0.157 25933 227 1 1 . 1 1 42 42 ALA CB C 42 20.295 20.295 20.080 0.215 25933 228 1 1 . 1 1 42 42 ALA H H 42 8.368 8.368 8.167 0.201 25933 229 1 1 . 1 1 43 43 GLY N N 43 108.071 108.071 111.355 -3.284 25933 230 1 1 . 1 1 43 43 GLY C C 43 174.630 174.630 174.174 0.456 25933 231 1 1 . 1 1 43 43 GLY CA C 43 45.871 45.871 44.773 1.099 25933 232 1 1 . 1 1 43 43 GLY H H 43 8.499 8.499 8.309 0.190 25933 233 1 1 . 1 1 44 44 LYS N N 44 123.859 123.859 124.190 -0.331 25933 234 1 1 . 1 1 44 44 LYS HA H 44 4.325 4.325 4.300 0.025 25933 235 1 1 . 1 1 44 44 LYS CA C 44 56.012 56.012 56.275 -0.263 25933 236 1 1 . 1 1 44 44 LYS CB C 44 31.307 31.307 32.300 -0.993 25933 237 1 1 . 1 1 44 44 LYS H H 44 8.485 8.485 8.398 0.087 25933 238 1 1 . 1 1 45 45 TRP N N 45 124.364 124.364 127.835 -3.471 25933 239 1 1 . 1 1 45 45 TRP HA H 45 4.317 4.317 4.815 -0.498 25933 240 1 1 . 1 1 45 45 TRP CA C 45 58.972 58.972 56.522 2.450 25933 241 1 1 . 1 1 45 45 TRP CB C 45 29.468 29.468 31.694 -2.226 25933 242 1 1 . 1 1 45 45 TRP H H 45 7.419 7.419 8.589 -1.170 25933 243 1 1 . 1 1 46 46 GLU N N 46 124.890 124.890 127.311 -2.421 25933 244 1 1 . 1 1 46 46 GLU HA H 46 4.623 4.623 4.365 0.258 25933 245 1 1 . 1 1 46 46 GLU CA C 46 53.864 53.864 54.364 -0.500 25933 246 1 1 . 1 1 46 46 GLU H H 46 7.623 7.623 8.151 -0.528 25933 247 1 1 . 1 1 47 47 CYS N N 47 130.384 130.384 122.291 8.093 25933 248 1 1 . 1 1 47 47 CYS HA H 47 4.623 4.623 3.723 0.900 25933 249 1 1 . 1 1 47 47 CYS H H 47 9.574 9.574 7.815 1.759 25933 250 1 1 . 1 1 48 48 PRO HA H 48 4.704 4.704 4.257 0.447 25933 251 1 1 . 1 1 48 48 PRO C C 48 177.973 177.973 177.486 0.487 25933 252 1 1 . 1 1 48 48 PRO CA C 48 64.380 64.380 64.334 0.046 25933 253 1 1 . 1 1 48 48 PRO CB C 48 31.545 31.545 31.496 0.049 25933 254 1 1 . 1 1 49 49 TRP N N 49 124.314 124.314 120.330 3.984 25933 255 1 1 . 1 1 49 49 TRP HA H 49 5.248 5.248 4.752 0.496 25933 256 1 1 . 1 1 49 49 TRP C C 49 179.054 179.054 175.097 3.957 25933 257 1 1 . 1 1 49 49 TRP CA C 49 56.304 56.304 57.187 -0.883 25933 258 1 1 . 1 1 49 49 TRP CB C 49 31.375 31.375 28.273 3.102 25933 259 1 1 . 1 1 49 49 TRP H H 49 8.504 8.504 7.833 0.671 25933 260 1 1 . 1 1 50 50 HIS N N 50 110.531 110.531 113.091 -2.560 25933 261 1 1 . 1 1 50 50 HIS HA H 50 4.479 4.479 4.933 -0.454 25933 262 1 1 . 1 1 50 50 HIS C C 50 175.070 175.070 174.968 0.102 25933 263 1 1 . 1 1 50 50 HIS CA C 50 56.068 56.068 54.859 1.209 25933 264 1 1 . 1 1 50 50 HIS CB C 50 28.267 28.267 30.475 -2.208 25933 265 1 1 . 1 1 50 50 HIS H H 50 7.178 7.178 7.494 -0.316 25933 266 1 1 . 1 1 51 51 GLN N N 51 118.176 118.176 118.523 -0.347 25933 267 1 1 . 1 1 51 51 GLN HA H 51 4.638 4.638 5.007 -0.369 25933 268 1 1 . 1 1 51 51 GLN C C 51 172.785 172.785 174.940 -2.155 25933 269 1 1 . 1 1 51 51 GLN CA C 51 54.266 54.266 53.480 0.786 25933 270 1 1 . 1 1 51 51 GLN CB C 51 30.779 30.779 31.051 -0.272 25933 271 1 1 . 1 1 51 51 GLN H H 51 7.243 7.243 7.649 -0.406 25933 272 1 1 . 1 1 52 52 CYS N N 52 123.532 123.532 125.845 -2.313 25933 273 1 1 . 1 1 52 52 CYS HA H 52 4.049 4.049 4.516 -0.467 25933 274 1 1 . 1 1 52 52 CYS C C 52 177.807 177.807 176.522 1.285 25933 275 1 1 . 1 1 52 52 CYS CA C 52 58.257 58.257 59.336 -1.079 25933 276 1 1 . 1 1 52 52 CYS CB C 52 31.165 31.165 27.761 3.404 25933 277 1 1 . 1 1 52 52 CYS H H 52 9.344 9.344 9.267 0.077 25933 278 1 1 . 1 1 53 53 ASP N N 53 134.328 134.328 129.519 4.809 25933 279 1 1 . 1 1 53 53 ASP HA H 53 4.190 4.190 4.406 -0.216 25933 280 1 1 . 1 1 53 53 ASP C C 53 176.732 176.732 176.544 0.188 25933 281 1 1 . 1 1 53 53 ASP CA C 53 57.384 57.384 57.017 0.367 25933 282 1 1 . 1 1 53 53 ASP CB C 53 41.122 41.122 41.046 0.076 25933 283 1 1 . 1 1 53 53 ASP H H 53 9.185 9.185 8.884 0.301 25933 284 1 1 . 1 1 54 54 VAL N N 54 119.653 119.653 119.914 -0.261 25933 285 1 1 . 1 1 54 54 VAL HA H 54 3.877 3.877 3.991 -0.114 25933 286 1 1 . 1 1 54 54 VAL C C 54 177.243 177.243 176.894 0.349 25933 287 1 1 . 1 1 54 54 VAL CA C 54 65.092 65.092 64.715 0.377 25933 288 1 1 . 1 1 54 54 VAL CB C 54 33.012 33.012 32.497 0.515 25933 289 1 1 . 1 1 54 54 VAL H H 54 8.796 8.796 7.998 0.798 25933 290 1 1 . 1 1 55 55 CYS N N 55 115.992 115.992 114.483 1.509 25933 291 1 1 . 1 1 55 55 CYS HA H 55 5.112 5.112 5.042 0.070 25933 292 1 1 . 1 1 55 55 CYS C C 55 176.818 176.818 176.097 0.721 25933 293 1 1 . 1 1 55 55 CYS CA C 55 58.337 58.337 57.283 1.054 25933 294 1 1 . 1 1 55 55 CYS CB C 55 34.324 34.324 29.955 4.369 25933 295 1 1 . 1 1 55 55 CYS H H 55 7.604 7.604 7.900 -0.296 25933 296 1 1 . 1 1 56 56 GLY N N 56 114.227 114.227 110.933 3.294 25933 297 1 1 . 1 1 56 56 GLY C C 56 173.824 173.824 174.558 -0.734 25933 298 1 1 . 1 1 56 56 GLY CA C 56 46.409 46.409 45.800 0.609 25933 299 1 1 . 1 1 56 56 GLY H H 56 8.548 8.548 8.668 -0.120 25933 300 1 1 . 1 1 57 57 LYS N N 57 122.126 122.126 120.592 1.534 25933 301 1 1 . 1 1 57 57 LYS HA H 57 4.412 4.412 4.405 0.007 25933 302 1 1 . 1 1 57 57 LYS C C 57 175.055 175.055 175.820 -0.765 25933 303 1 1 . 1 1 57 57 LYS CA C 57 56.717 56.717 55.584 1.133 25933 304 1 1 . 1 1 57 57 LYS CB C 57 33.143 33.143 33.519 -0.376 25933 305 1 1 . 1 1 57 57 LYS H H 57 8.314 8.314 7.401 0.913 25933 306 1 1 . 1 1 58 58 GLU N N 58 120.782 120.782 119.834 0.948 25933 307 1 1 . 1 1 58 58 GLU HA H 58 4.153 4.153 4.450 -0.297 25933 308 1 1 . 1 1 58 58 GLU C C 58 176.662 176.662 176.303 0.359 25933 309 1 1 . 1 1 58 58 GLU CA C 58 57.913 57.913 56.883 1.030 25933 310 1 1 . 1 1 58 58 GLU CB C 58 29.825 29.825 30.379 -0.554 25933 311 1 1 . 1 1 58 58 GLU H H 58 8.502 8.502 8.604 -0.102 25933 312 1 1 . 1 1 59 59 ALA N N 59 127.052 127.052 128.745 -1.693 25933 313 1 1 . 1 1 59 59 ALA HA H 59 3.402 3.402 4.314 -0.912 25933 314 1 1 . 1 1 59 59 ALA C C 59 175.529 175.529 175.991 -0.462 25933 315 1 1 . 1 1 59 59 ALA CA C 59 52.238 52.238 51.923 0.314 25933 316 1 1 . 1 1 59 59 ALA CB C 59 19.006 19.006 19.702 -0.696 25933 317 1 1 . 1 1 59 59 ALA H H 59 7.812 7.812 8.653 -0.841 25933 318 1 1 . 1 1 60 60 ALA N N 60 122.703 122.703 124.546 -1.843 25933 319 1 1 . 1 1 60 60 ALA HA H 60 4.473 4.473 4.356 0.117 25933 320 1 1 . 1 1 60 60 ALA C C 60 176.087 176.087 176.876 -0.789 25933 321 1 1 . 1 1 60 60 ALA CA C 60 51.930 51.930 51.943 -0.013 25933 322 1 1 . 1 1 60 60 ALA CB C 60 23.146 23.146 20.947 2.199 25933 323 1 1 . 1 1 60 60 ALA H H 60 8.356 8.356 8.447 -0.091 25933 324 1 1 . 1 1 61 61 SER N N 61 114.279 114.279 114.254 0.025 25933 325 1 1 . 1 1 61 61 SER HA H 61 4.637 4.637 4.266 0.371 25933 326 1 1 . 1 1 61 61 SER C C 61 171.865 171.865 172.870 -1.005 25933 327 1 1 . 1 1 61 61 SER CA C 61 58.060 58.060 56.622 1.438 25933 328 1 1 . 1 1 61 61 SER CB C 61 66.719 66.719 65.162 1.557 25933 329 1 1 . 1 1 61 61 SER H H 61 7.427 7.427 7.701 -0.274 25933 330 1 1 . 1 1 62 62 PHE N N 62 123.075 123.075 119.491 3.584 25933 331 1 1 . 1 1 62 62 PHE HA H 62 4.342 4.342 4.572 -0.230 25933 332 1 1 . 1 1 62 62 PHE C C 62 174.547 174.547 175.608 -1.061 25933 333 1 1 . 1 1 62 62 PHE CA C 62 57.701 57.701 56.079 1.622 25933 334 1 1 . 1 1 62 62 PHE CB C 62 41.207 41.207 40.299 0.908 25933 335 1 1 . 1 1 62 62 PHE H H 62 8.193 8.193 7.947 0.246 25933 336 1 1 . 1 1 63 63 CYS N N 63 126.326 126.326 125.741 0.585 25933 337 1 1 . 1 1 63 63 CYS HA H 63 4.297 4.297 4.486 -0.189 25933 338 1 1 . 1 1 63 63 CYS C C 63 176.289 176.289 176.396 -0.107 25933 339 1 1 . 1 1 63 63 CYS CA C 63 61.098 61.098 59.438 1.660 25933 340 1 1 . 1 1 63 63 CYS CB C 63 29.621 29.621 28.518 1.103 25933 341 1 1 . 1 1 63 63 CYS H H 63 9.106 9.106 9.154 -0.048 25933 342 1 1 . 1 1 64 64 GLU N N 64 124.601 124.601 129.252 -4.651 25933 343 1 1 . 1 1 64 64 GLU HA H 64 4.887 4.887 4.819 0.068 25933 344 1 1 . 1 1 64 64 GLU C C 64 177.682 177.682 176.390 1.292 25933 345 1 1 . 1 1 64 64 GLU CA C 64 58.619 58.619 57.270 1.349 25933 346 1 1 . 1 1 64 64 GLU CB C 64 30.567 30.567 29.905 0.662 25933 347 1 1 . 1 1 64 64 GLU H H 64 8.911 8.911 9.127 -0.216 25933 348 1 1 . 1 1 65 65 MET N N 65 121.669 121.669 116.146 5.523 25933 349 1 1 . 1 1 65 65 MET HA H 65 4.536 4.536 4.590 -0.054 25933 350 1 1 . 1 1 65 65 MET C C 65 173.906 173.906 175.121 -1.215 25933 351 1 1 . 1 1 65 65 MET CA C 65 56.157 56.157 54.973 1.184 25933 352 1 1 . 1 1 65 65 MET CB C 65 33.770 33.770 34.683 -0.913 25933 353 1 1 . 1 1 65 65 MET H H 65 9.972 9.972 7.902 2.070 25933 354 1 1 . 1 1 66 66 CYS N N 66 127.827 127.827 114.855 12.972 25933 355 1 1 . 1 1 66 66 CYS HA H 66 3.424 3.424 4.771 -1.347 25933 356 1 1 . 1 1 66 66 CYS CA C 66 57.581 57.581 56.701 0.880 25933 357 1 1 . 1 1 66 66 CYS CB C 66 29.900 29.900 29.246 0.654 25933 358 1 1 . 1 1 66 66 CYS H H 66 8.286 8.286 7.820 0.466 25933 359 1 1 . 1 1 67 67 PRO HA H 67 4.660 4.660 4.638 0.022 25933 360 1 1 . 1 1 67 67 PRO C C 67 176.387 176.387 176.181 0.206 25933 361 1 1 . 1 1 67 67 PRO CA C 67 64.462 64.462 63.528 0.934 25933 362 1 1 . 1 1 67 67 PRO CB C 67 31.018 31.018 31.616 -0.598 25933 363 1 1 . 1 1 68 68 SER N N 68 122.983 122.983 117.327 5.656 25933 364 1 1 . 1 1 68 68 SER HA H 68 5.148 5.148 4.441 0.707 25933 365 1 1 . 1 1 68 68 SER C C 68 173.421 173.421 173.652 -0.231 25933 366 1 1 . 1 1 68 68 SER CA C 68 59.799 59.799 57.979 1.820 25933 367 1 1 . 1 1 68 68 SER CB C 68 64.047 64.047 62.963 1.084 25933 368 1 1 . 1 1 68 68 SER H H 68 8.864 8.864 7.678 1.186 25933 369 1 1 . 1 1 69 69 SER N N 69 115.147 115.147 120.966 -5.819 25933 370 1 1 . 1 1 69 69 SER HA H 69 4.443 4.443 4.398 0.045 25933 371 1 1 . 1 1 69 69 SER C C 69 171.436 171.436 172.651 -1.215 25933 372 1 1 . 1 1 69 69 SER CA C 69 56.585 56.585 57.303 -0.718 25933 373 1 1 . 1 1 69 69 SER CB C 69 63.959 63.959 64.325 -0.366 25933 374 1 1 . 1 1 69 69 SER H H 69 7.874 7.874 7.931 -0.057 25933 375 1 1 . 1 1 70 70 PHE N N 70 112.477 112.477 116.206 -3.729 25933 376 1 1 . 1 1 70 70 PHE HA H 70 6.052 6.052 4.996 1.056 25933 377 1 1 . 1 1 70 70 PHE C C 70 176.905 176.905 175.992 0.913 25933 378 1 1 . 1 1 70 70 PHE CA C 70 57.026 57.026 56.689 0.337 25933 379 1 1 . 1 1 70 70 PHE CB C 70 45.774 45.774 43.294 2.480 25933 380 1 1 . 1 1 70 70 PHE H H 70 8.192 8.192 8.423 -0.231 25933 381 1 1 . 1 1 71 71 CYS N N 71 121.843 121.843 119.436 2.407 25933 382 1 1 . 1 1 71 71 CYS HA H 71 4.806 4.806 4.952 -0.146 25933 383 1 1 . 1 1 71 71 CYS C C 71 174.332 174.332 175.963 -1.631 25933 384 1 1 . 1 1 71 71 CYS CA C 71 58.618 58.618 56.868 1.750 25933 385 1 1 . 1 1 71 71 CYS CB C 71 30.249 30.249 30.218 0.031 25933 386 1 1 . 1 1 71 71 CYS H H 71 9.511 9.511 8.664 0.847 25933 387 1 1 . 1 1 72 72 LYS N N 72 118.091 118.091 118.987 -0.896 25933 388 1 1 . 1 1 72 72 LYS HA H 72 3.679 3.679 3.892 -0.213 25933 389 1 1 . 1 1 72 72 LYS C C 72 177.831 177.831 179.080 -1.249 25933 390 1 1 . 1 1 72 72 LYS CA C 72 60.445 60.445 59.695 0.750 25933 391 1 1 . 1 1 72 72 LYS CB C 72 32.277 32.277 32.019 0.258 25933 392 1 1 . 1 1 72 72 LYS H H 72 8.804 8.804 8.651 0.153 25933 393 1 1 . 1 1 73 73 GLN N N 73 118.381 118.381 116.751 1.630 25933 394 1 1 . 1 1 73 73 GLN HA H 73 4.078 4.078 4.149 -0.071 25933 395 1 1 . 1 1 73 73 GLN C C 73 177.491 177.491 177.718 -0.227 25933 396 1 1 . 1 1 73 73 GLN CA C 73 57.894 57.894 57.454 0.440 25933 397 1 1 . 1 1 73 73 GLN CB C 73 28.754 28.754 29.061 -0.307 25933 398 1 1 . 1 1 73 73 GLN H H 73 8.139 8.139 7.615 0.524 25933 399 1 1 . 1 1 74 74 HIS N N 74 117.140 117.140 115.993 1.147 25933 400 1 1 . 1 1 74 74 HIS HA H 74 5.015 5.015 4.658 0.357 25933 401 1 1 . 1 1 74 74 HIS C C 74 174.206 174.206 175.793 -1.587 25933 402 1 1 . 1 1 74 74 HIS CA C 74 57.692 57.692 56.544 1.148 25933 403 1 1 . 1 1 74 74 HIS CB C 74 32.739 32.739 29.954 2.785 25933 404 1 1 . 1 1 74 74 HIS H H 74 7.628 7.628 7.517 0.111 25933 405 1 1 . 1 1 75 75 ARG N N 75 115.977 115.977 118.206 -2.229 25933 406 1 1 . 1 1 75 75 ARG HA H 75 3.699 3.699 4.205 -0.506 25933 407 1 1 . 1 1 75 75 ARG C C 75 176.493 176.493 175.660 0.833 25933 408 1 1 . 1 1 75 75 ARG CA C 75 57.925 57.925 57.241 0.684 25933 409 1 1 . 1 1 75 75 ARG CB C 75 30.179 30.179 30.809 -0.630 25933 410 1 1 . 1 1 75 75 ARG H H 75 7.415 7.415 7.736 -0.321 25933 411 1 1 . 1 1 76 76 GLU N N 76 123.649 123.649 121.604 2.045 25933 412 1 1 . 1 1 76 76 GLU HA H 76 3.955 3.955 4.127 -0.172 25933 413 1 1 . 1 1 76 76 GLU C C 76 177.401 177.401 177.272 0.129 25933 414 1 1 . 1 1 76 76 GLU CA C 76 58.208 58.208 57.506 0.702 25933 415 1 1 . 1 1 76 76 GLU CB C 76 28.668 28.668 29.334 -0.666 25933 416 1 1 . 1 1 76 76 GLU H H 76 8.094 8.094 7.608 0.486 25933 417 1 1 . 1 1 77 77 GLY N N 77 114.787 114.787 114.288 0.499 25933 418 1 1 . 1 1 77 77 GLY C C 77 174.193 174.193 174.920 -0.727 25933 419 1 1 . 1 1 77 77 GLY CA C 77 45.502 45.502 46.356 -0.854 25933 420 1 1 . 1 1 77 77 GLY H H 77 8.831 8.831 9.084 -0.253 25933 421 1 1 . 1 1 78 78 MET N N 78 115.494 115.494 117.830 -2.336 25933 422 1 1 . 1 1 78 78 MET HA H 78 4.608 4.608 4.439 0.169 25933 423 1 1 . 1 1 78 78 MET C C 78 175.808 175.808 175.131 0.677 25933 424 1 1 . 1 1 78 78 MET CA C 78 53.865 53.865 55.234 -1.369 25933 425 1 1 . 1 1 78 78 MET CB C 78 33.146 33.146 33.575 -0.429 25933 426 1 1 . 1 1 78 78 MET H H 78 7.320 7.320 7.423 -0.103 25933 427 1 1 . 1 1 79 79 LEU N N 79 116.112 116.112 119.885 -3.773 25933 428 1 1 . 1 1 79 79 LEU HA H 79 5.083 5.083 4.631 0.452 25933 429 1 1 . 1 1 79 79 LEU C C 79 175.580 175.580 174.655 0.925 25933 430 1 1 . 1 1 79 79 LEU CA C 79 52.710 52.710 53.875 -1.165 25933 431 1 1 . 1 1 79 79 LEU CB C 79 46.268 46.268 44.991 1.277 25933 432 1 1 . 1 1 79 79 LEU H H 79 6.783 6.783 7.574 -0.791 25933 433 1 1 . 1 1 80 80 PHE N N 80 121.484 121.484 120.814 0.670 25933 434 1 1 . 1 1 80 80 PHE HA H 80 4.773 4.773 4.932 -0.159 25933 435 1 1 . 1 1 80 80 PHE C C 80 174.354 174.354 173.568 0.786 25933 436 1 1 . 1 1 80 80 PHE CA C 80 56.225 56.225 55.601 0.624 25933 437 1 1 . 1 1 80 80 PHE CB C 80 42.377 42.377 41.256 1.121 25933 438 1 1 . 1 1 80 80 PHE H H 80 9.296 9.296 8.434 0.862 25933 439 1 1 . 1 1 81 81 ILE N N 81 123.854 123.854 120.767 3.087 25933 440 1 1 . 1 1 81 81 ILE HA H 81 4.088 4.088 4.365 -0.277 25933 441 1 1 . 1 1 81 81 ILE C C 81 176.829 176.829 176.076 0.753 25933 442 1 1 . 1 1 81 81 ILE CA C 81 60.636 60.636 60.705 -0.069 25933 443 1 1 . 1 1 81 81 ILE CB C 81 37.486 37.486 37.388 0.098 25933 444 1 1 . 1 1 81 81 ILE H H 81 8.798 8.798 8.491 0.307 25933 445 1 1 . 1 1 82 82 SER N N 82 124.730 124.730 122.631 2.099 25933 446 1 1 . 1 1 82 82 SER HA H 82 4.530 4.530 4.652 -0.122 25933 447 1 1 . 1 1 82 82 SER C C 82 177.460 177.460 175.228 2.232 25933 448 1 1 . 1 1 82 82 SER CA C 82 58.180 58.180 58.176 0.004 25933 449 1 1 . 1 1 82 82 SER CB C 82 64.054 64.054 64.008 0.046 25933 450 1 1 . 1 1 82 82 SER H H 82 8.898 8.898 9.112 -0.214 25933 451 1 1 . 1 1 83 83 LYS N N 83 129.518 129.518 128.720 0.798 25933 452 1 1 . 1 1 83 83 LYS HA H 83 4.198 4.198 4.221 -0.023 25933 453 1 1 . 1 1 83 83 LYS C C 83 177.173 177.173 177.190 -0.017 25933 454 1 1 . 1 1 83 83 LYS CA C 83 57.848 57.848 58.530 -0.682 25933 455 1 1 . 1 1 83 83 LYS CB C 83 32.376 32.376 32.270 0.106 25933 456 1 1 . 1 1 83 83 LYS H H 83 9.269 9.269 8.957 0.312 25933 457 1 1 . 1 1 84 84 LEU N N 84 120.539 120.539 119.678 0.861 25933 458 1 1 . 1 1 84 84 LEU HA H 84 4.284 4.284 4.182 0.102 25933 459 1 1 . 1 1 84 84 LEU C C 84 178.443 178.443 178.339 0.104 25933 460 1 1 . 1 1 84 84 LEU CA C 84 56.827 56.827 57.047 -0.220 25933 461 1 1 . 1 1 84 84 LEU CB C 84 41.901 41.901 42.490 -0.589 25933 462 1 1 . 1 1 84 84 LEU H H 84 8.364 8.364 7.694 0.670 25933 463 1 1 . 1 1 85 85 ASP N N 85 114.333 114.333 115.386 -1.053 25933 464 1 1 . 1 1 85 85 ASP HA H 85 4.737 4.737 4.810 -0.073 25933 465 1 1 . 1 1 85 85 ASP C C 85 177.413 177.413 176.943 0.470 25933 466 1 1 . 1 1 85 85 ASP CA C 85 53.056 53.056 53.745 -0.689 25933 467 1 1 . 1 1 85 85 ASP CB C 85 42.065 42.065 42.932 -0.867 25933 468 1 1 . 1 1 85 85 ASP H H 85 7.326 7.326 7.793 -0.467 25933 469 1 1 . 1 1 86 86 GLY N N 86 108.607 108.607 109.171 -0.564 25933 470 1 1 . 1 1 86 86 GLY C C 86 174.036 174.036 174.431 -0.395 25933 471 1 1 . 1 1 86 86 GLY CA C 86 46.037 46.037 45.684 0.353 25933 472 1 1 . 1 1 86 86 GLY H H 86 7.901 7.901 8.578 -0.677 25933 473 1 1 . 1 1 87 87 ARG N N 87 120.598 120.598 119.350 1.248 25933 474 1 1 . 1 1 87 87 ARG HA H 87 4.345 4.345 4.611 -0.266 25933 475 1 1 . 1 1 87 87 ARG C C 87 175.968 175.968 176.396 -0.428 25933 476 1 1 . 1 1 87 87 ARG CA C 87 56.810 56.810 54.629 2.181 25933 477 1 1 . 1 1 87 87 ARG CB C 87 31.934 31.934 31.758 0.176 25933 478 1 1 . 1 1 87 87 ARG H H 87 7.948 7.948 7.737 0.211 25933 479 1 1 . 1 1 88 88 LEU N N 88 126.752 126.752 125.430 1.322 25933 480 1 1 . 1 1 88 88 LEU HA H 88 4.576 4.576 4.502 0.074 25933 481 1 1 . 1 1 88 88 LEU C C 88 176.060 176.060 176.396 -0.336 25933 482 1 1 . 1 1 88 88 LEU CA C 88 55.558 55.558 55.894 -0.336 25933 483 1 1 . 1 1 88 88 LEU CB C 88 42.815 42.815 42.047 0.768 25933 484 1 1 . 1 1 88 88 LEU H H 88 8.968 8.968 9.461 -0.493 25933 485 1 1 . 1 1 89 89 SER N N 89 118.859 118.859 119.859 -1.000 25933 486 1 1 . 1 1 89 89 SER HA H 89 6.146 6.146 5.143 1.003 25933 487 1 1 . 1 1 89 89 SER C C 89 174.338 174.338 173.411 0.927 25933 488 1 1 . 1 1 89 89 SER CA C 89 56.311 56.311 56.172 0.139 25933 489 1 1 . 1 1 89 89 SER CB C 89 67.072 67.072 65.559 1.513 25933 490 1 1 . 1 1 89 89 SER H H 89 9.083 9.083 9.015 0.068 25933 491 1 1 . 1 1 90 90 CYS N N 90 128.907 128.907 123.886 5.021 25933 492 1 1 . 1 1 90 90 CYS HA H 90 5.815 5.815 5.347 0.468 25933 493 1 1 . 1 1 90 90 CYS C C 90 176.386 176.386 177.098 -0.712 25933 494 1 1 . 1 1 90 90 CYS CA C 90 58.908 58.908 56.393 2.515 25933 495 1 1 . 1 1 90 90 CYS CB C 90 29.444 29.444 30.198 -0.753 25933 496 1 1 . 1 1 90 90 CYS H H 90 10.389 10.389 8.084 2.305 25933 497 1 1 . 1 1 91 91 THR N N 91 108.692 108.692 112.472 -3.780 25933 498 1 1 . 1 1 91 91 THR HA H 91 4.398 4.398 4.414 -0.016 25933 499 1 1 . 1 1 91 91 THR C C 91 175.912 175.912 175.329 0.583 25933 500 1 1 . 1 1 91 91 THR CA C 91 63.576 63.576 64.312 -0.736 25933 501 1 1 . 1 1 91 91 THR CB C 91 69.172 69.172 68.331 0.841 25933 502 1 1 . 1 1 91 91 THR H H 91 8.435 8.435 8.367 0.068 25933 503 1 1 . 1 1 92 92 GLU N N 92 123.418 123.418 119.672 3.746 25933 504 1 1 . 1 1 92 92 GLU HA H 92 4.280 4.280 4.450 -0.170 25933 505 1 1 . 1 1 92 92 GLU C C 92 175.937 175.937 176.321 -0.384 25933 506 1 1 . 1 1 92 92 GLU CA C 92 56.582 56.582 56.026 0.556 25933 507 1 1 . 1 1 92 92 GLU CB C 92 28.887 28.887 28.901 -0.014 25933 508 1 1 . 1 1 92 92 GLU H H 92 8.626 8.626 7.883 0.743 25933 509 1 1 . 1 1 93 93 HIS N N 93 117.178 117.178 118.971 -1.793 25933 510 1 1 . 1 1 93 93 HIS HA H 93 4.789 4.789 4.838 -0.049 25933 511 1 1 . 1 1 93 93 HIS C C 93 174.016 174.016 174.365 -0.349 25933 512 1 1 . 1 1 93 93 HIS CA C 93 54.275 54.275 53.988 0.287 25933 513 1 1 . 1 1 93 93 HIS CB C 93 29.373 29.373 29.089 0.284 25933 514 1 1 . 1 1 93 93 HIS H H 93 7.244 7.244 7.627 -0.383 25933 515 1 2 . 1 1 2 2 ALA N N 2 124.503 124.503 119.794 4.709 25933 516 1 2 . 1 1 2 2 ALA HA H 2 4.337 4.337 3.941 0.396 25933 517 1 2 . 1 1 2 2 ALA C C 2 177.688 177.688 176.268 1.420 25933 518 1 2 . 1 1 2 2 ALA CA C 2 52.598 52.598 53.350 -0.752 25933 519 1 2 . 1 1 2 2 ALA CB C 2 19.375 19.375 17.662 1.713 25933 520 1 2 . 1 1 2 2 ALA H H 2 8.639 8.639 9.085 -0.446 25933 521 1 2 . 1 1 3 3 MET N N 3 120.183 120.183 116.043 4.140 25933 522 1 2 . 1 1 3 3 MET HA H 3 4.402 4.402 4.670 -0.268 25933 523 1 2 . 1 1 3 3 MET C C 3 176.072 176.072 175.527 0.545 25933 524 1 2 . 1 1 3 3 MET CA C 3 55.636 55.636 55.285 0.351 25933 525 1 2 . 1 1 3 3 MET CB C 3 32.936 32.936 33.409 -0.473 25933 526 1 2 . 1 1 3 3 MET H H 3 8.483 8.483 7.894 0.589 25933 527 1 2 . 1 1 4 4 GLU N N 4 123.573 123.573 119.696 3.877 25933 528 1 2 . 1 1 4 4 GLU HA H 4 4.255 4.255 4.372 -0.117 25933 529 1 2 . 1 1 4 4 GLU C C 4 175.719 175.719 175.179 0.540 25933 530 1 2 . 1 1 4 4 GLU CA C 4 56.516 56.516 56.791 -0.275 25933 531 1 2 . 1 1 4 4 GLU CB C 4 30.209 30.209 29.666 0.543 25933 532 1 2 . 1 1 4 4 GLU H H 4 8.417 8.417 8.654 -0.237 25933 533 1 2 . 1 1 5 5 ARG N N 5 121.879 121.879 119.824 2.055 25933 534 1 2 . 1 1 5 5 ARG HA H 5 4.327 4.327 4.589 -0.262 25933 535 1 2 . 1 1 5 5 ARG C C 5 175.991 175.991 175.348 0.643 25933 536 1 2 . 1 1 5 5 ARG CA C 5 55.879 55.879 54.597 1.282 25933 537 1 2 . 1 1 5 5 ARG CB C 5 31.336 31.336 31.463 -0.127 25933 538 1 2 . 1 1 5 5 ARG H H 5 8.099 8.099 7.557 0.542 25933 539 1 2 . 1 1 6 6 GLU N N 6 124.508 124.508 124.880 -0.372 25933 540 1 2 . 1 1 6 6 GLU HA H 6 4.245 4.245 4.097 0.148 25933 541 1 2 . 1 1 6 6 GLU C C 6 174.941 174.941 175.884 -0.943 25933 542 1 2 . 1 1 6 6 GLU CA C 6 56.775 56.775 56.334 0.441 25933 543 1 2 . 1 1 6 6 GLU CB C 6 30.421 30.421 30.791 -0.370 25933 544 1 2 . 1 1 6 6 GLU H H 6 8.560 8.560 8.584 -0.024 25933 545 1 2 . 1 1 7 7 ASP N N 7 117.067 117.067 120.594 -3.527 25933 546 1 2 . 1 1 7 7 ASP HA H 7 4.520 4.520 4.704 -0.184 25933 547 1 2 . 1 1 7 7 ASP C C 7 174.744 174.744 174.433 0.311 25933 548 1 2 . 1 1 7 7 ASP CA C 7 53.697 53.697 54.195 -0.498 25933 549 1 2 . 1 1 7 7 ASP CB C 7 42.222 42.222 40.822 1.400 25933 550 1 2 . 1 1 7 7 ASP H H 7 8.237 8.237 8.557 -0.320 25933 551 1 2 . 1 1 8 8 GLU N N 8 116.268 116.268 119.122 -2.854 25933 552 1 2 . 1 1 8 8 GLU HA H 8 4.083 4.083 4.381 -0.298 25933 553 1 2 . 1 1 8 8 GLU C C 8 173.257 173.257 174.039 -0.782 25933 554 1 2 . 1 1 8 8 GLU CA C 8 54.382 54.382 55.230 -0.848 25933 555 1 2 . 1 1 8 8 GLU CB C 8 32.438 32.438 32.670 -0.232 25933 556 1 2 . 1 1 8 8 GLU H H 8 7.005 7.005 7.369 -0.364 25933 557 1 2 . 1 1 9 9 CYS N N 9 124.211 124.211 124.722 -0.511 25933 558 1 2 . 1 1 9 9 CYS HA H 9 4.157 4.157 4.727 -0.570 25933 559 1 2 . 1 1 9 9 CYS C C 9 178.384 178.384 175.762 2.622 25933 560 1 2 . 1 1 9 9 CYS CA C 9 57.640 57.640 57.880 -0.240 25933 561 1 2 . 1 1 9 9 CYS CB C 9 31.396 31.396 26.446 4.950 25933 562 1 2 . 1 1 9 9 CYS H H 9 8.220 8.220 8.788 -0.568 25933 563 1 2 . 1 1 10 10 PHE N N 10 131.759 131.759 128.161 3.598 25933 564 1 2 . 1 1 10 10 PHE HA H 10 4.695 4.695 4.107 0.588 25933 565 1 2 . 1 1 10 10 PHE C C 10 176.194 176.194 176.040 0.154 25933 566 1 2 . 1 1 10 10 PHE CA C 10 55.935 55.935 60.660 -4.726 25933 567 1 2 . 1 1 10 10 PHE CB C 10 38.279 38.279 39.616 -1.337 25933 568 1 2 . 1 1 10 10 PHE H H 10 8.765 8.765 8.206 0.559 25933 569 1 2 . 1 1 11 11 SER N N 11 114.027 114.027 114.687 -0.660 25933 570 1 2 . 1 1 11 11 SER HA H 11 4.331 4.331 4.236 0.095 25933 571 1 2 . 1 1 11 11 SER C C 11 175.836 175.836 175.070 0.766 25933 572 1 2 . 1 1 11 11 SER CA C 11 61.956 61.956 61.074 0.882 25933 573 1 2 . 1 1 11 11 SER CB C 11 63.774 63.774 63.481 0.292 25933 574 1 2 . 1 1 11 11 SER H H 11 8.686 8.686 8.184 0.502 25933 575 1 2 . 1 1 12 12 CYS N N 12 118.224 118.224 117.474 0.750 25933 576 1 2 . 1 1 12 12 CYS HA H 12 5.121 5.121 4.767 0.354 25933 577 1 2 . 1 1 12 12 CYS C C 12 176.817 176.817 175.855 0.962 25933 578 1 2 . 1 1 12 12 CYS CA C 12 58.693 58.693 59.222 -0.529 25933 579 1 2 . 1 1 12 12 CYS CB C 12 32.837 32.837 30.313 2.524 25933 580 1 2 . 1 1 12 12 CYS H H 12 8.195 8.195 7.567 0.628 25933 581 1 2 . 1 1 13 13 GLY N N 13 114.509 114.509 109.106 5.403 25933 582 1 2 . 1 1 13 13 GLY C C 13 173.093 173.093 173.473 -0.380 25933 583 1 2 . 1 1 13 13 GLY CA C 13 46.346 46.346 45.450 0.895 25933 584 1 2 . 1 1 13 13 GLY H H 13 8.385 8.385 8.561 -0.176 25933 585 1 2 . 1 1 14 14 ASP N N 14 122.123 122.123 119.959 2.164 25933 586 1 2 . 1 1 14 14 ASP HA H 14 5.294 5.294 4.897 0.397 25933 587 1 2 . 1 1 14 14 ASP C C 14 176.111 176.111 174.509 1.602 25933 588 1 2 . 1 1 14 14 ASP CA C 14 53.304 53.304 53.475 -0.171 25933 589 1 2 . 1 1 14 14 ASP CB C 14 43.175 43.175 44.767 -1.593 25933 590 1 2 . 1 1 14 14 ASP H H 14 8.512 8.512 7.842 0.670 25933 591 1 2 . 1 1 15 15 ALA N N 15 123.765 123.765 122.708 1.057 25933 592 1 2 . 1 1 15 15 ALA HA H 15 4.679 4.679 4.517 0.162 25933 593 1 2 . 1 1 15 15 ALA C C 15 177.375 177.375 176.872 0.503 25933 594 1 2 . 1 1 15 15 ALA CA C 15 51.216 51.216 51.666 -0.450 25933 595 1 2 . 1 1 15 15 ALA CB C 15 19.842 19.842 21.291 -1.449 25933 596 1 2 . 1 1 15 15 ALA H H 15 8.538 8.538 8.450 0.088 25933 597 1 2 . 1 1 16 16 GLY N N 16 108.898 108.898 108.524 0.374 25933 598 1 2 . 1 1 16 16 GLY C C 16 172.132 172.132 173.003 -0.871 25933 599 1 2 . 1 1 16 16 GLY CA C 16 45.320 45.320 45.091 0.229 25933 600 1 2 . 1 1 16 16 GLY H H 16 8.304 8.304 8.269 0.035 25933 601 1 2 . 1 1 17 17 GLN N N 17 125.473 125.473 123.477 1.996 25933 602 1 2 . 1 1 17 17 GLN HA H 17 4.359 4.359 4.452 -0.093 25933 603 1 2 . 1 1 17 17 GLN C C 17 175.263 175.263 174.864 0.399 25933 604 1 2 . 1 1 17 17 GLN CA C 17 55.779 55.779 55.783 -0.004 25933 605 1 2 . 1 1 17 17 GLN CB C 17 27.927 27.927 28.338 -0.411 25933 606 1 2 . 1 1 17 17 GLN H H 17 8.887 8.887 8.469 0.418 25933 607 1 2 . 1 1 18 18 LEU N N 18 127.246 127.246 126.297 0.949 25933 608 1 2 . 1 1 18 18 LEU HA H 18 4.714 4.714 5.189 -0.475 25933 609 1 2 . 1 1 18 18 LEU C C 18 177.078 177.078 176.187 0.891 25933 610 1 2 . 1 1 18 18 LEU CA C 18 53.755 53.755 53.372 0.383 25933 611 1 2 . 1 1 18 18 LEU CB C 18 44.191 44.191 43.913 0.278 25933 612 1 2 . 1 1 18 18 LEU H H 18 8.322 8.322 8.087 0.235 25933 613 1 2 . 1 1 19 19 VAL N N 19 121.280 121.280 123.272 -1.992 25933 614 1 2 . 1 1 19 19 VAL HA H 19 4.547 4.547 4.453 0.094 25933 615 1 2 . 1 1 19 19 VAL C C 19 175.238 175.238 174.127 1.111 25933 616 1 2 . 1 1 19 19 VAL CA C 19 59.975 59.975 59.853 0.121 25933 617 1 2 . 1 1 19 19 VAL CB C 19 33.809 33.809 34.925 -1.116 25933 618 1 2 . 1 1 19 19 VAL H H 19 9.789 9.789 9.213 0.576 25933 619 1 2 . 1 1 20 20 SER N N 20 118.562 118.562 122.992 -4.430 25933 620 1 2 . 1 1 20 20 SER HA H 20 5.062 5.062 4.738 0.324 25933 621 1 2 . 1 1 20 20 SER C C 20 174.439 174.439 174.000 0.439 25933 622 1 2 . 1 1 20 20 SER CA C 20 57.132 57.132 57.266 -0.134 25933 623 1 2 . 1 1 20 20 SER CB C 20 64.811 64.811 64.621 0.190 25933 624 1 2 . 1 1 20 20 SER H H 20 8.638 8.638 8.434 0.204 25933 625 1 2 . 1 1 21 21 CYS N N 21 125.432 125.432 124.164 1.268 25933 626 1 2 . 1 1 21 21 CYS HA H 21 4.311 4.311 4.506 -0.195 25933 627 1 2 . 1 1 21 21 CYS CA C 21 61.656 61.656 60.117 1.539 25933 628 1 2 . 1 1 21 21 CYS CB C 21 31.029 31.029 27.693 3.336 25933 629 1 2 . 1 1 21 21 CYS H H 21 8.132 8.132 8.243 -0.111 25933 630 1 2 . 1 1 22 22 LYS N N 22 125.587 125.587 125.694 -0.107 25933 631 1 2 . 1 1 22 22 LYS HA H 22 4.648 4.648 4.504 0.144 25933 632 1 2 . 1 1 22 22 LYS C C 22 177.460 177.460 175.777 1.683 25933 633 1 2 . 1 1 22 22 LYS H H 22 8.294 8.294 8.604 -0.310 25933 634 1 2 . 1 1 23 23 LYS N N 23 130.703 130.703 122.142 8.561 25933 635 1 2 . 1 1 23 23 LYS HA H 23 4.385 4.385 4.761 -0.376 25933 636 1 2 . 1 1 23 23 LYS CA C 23 55.222 55.222 53.021 2.201 25933 637 1 2 . 1 1 23 23 LYS CB C 23 33.949 33.949 34.199 -0.250 25933 638 1 2 . 1 1 23 23 LYS H H 23 9.496 9.496 8.026 1.470 25933 639 1 2 . 1 1 24 24 PRO HA H 24 4.198 4.198 4.303 -0.105 25933 640 1 2 . 1 1 24 24 PRO C C 24 177.835 177.835 177.488 0.347 25933 641 1 2 . 1 1 24 24 PRO CA C 24 64.454 64.454 64.301 0.153 25933 642 1 2 . 1 1 24 24 PRO CB C 24 31.420 31.420 31.717 -0.297 25933 643 1 2 . 1 1 25 25 GLY N N 25 114.246 114.246 111.674 2.572 25933 644 1 2 . 1 1 25 25 GLY C C 25 173.630 173.630 173.726 -0.096 25933 645 1 2 . 1 1 25 25 GLY CA C 25 45.200 45.200 44.691 0.509 25933 646 1 2 . 1 1 25 25 GLY H H 25 8.823 8.823 8.712 0.111 25933 647 1 2 . 1 1 26 26 CYS N N 26 126.002 126.002 123.069 2.933 25933 648 1 2 . 1 1 26 26 CYS HA H 26 5.014 5.014 4.981 0.033 25933 649 1 2 . 1 1 26 26 CYS CA C 26 56.747 56.747 55.494 1.253 25933 650 1 2 . 1 1 26 26 CYS CB C 26 32.711 32.711 27.476 5.235 25933 651 1 2 . 1 1 26 26 CYS H H 26 8.076 8.076 7.828 0.248 25933 652 1 2 . 1 1 27 27 PRO HA H 27 4.802 4.802 5.039 -0.237 25933 653 1 2 . 1 1 27 27 PRO C C 27 175.970 175.970 176.064 -0.094 25933 654 1 2 . 1 1 27 27 PRO CA C 27 63.334 63.334 62.850 0.484 25933 655 1 2 . 1 1 27 27 PRO CB C 27 32.920 32.920 32.158 0.762 25933 656 1 2 . 1 1 28 28 LYS N N 28 121.413 121.413 120.088 1.325 25933 657 1 2 . 1 1 28 28 LYS HA H 28 3.889 3.889 4.125 -0.236 25933 658 1 2 . 1 1 28 28 LYS C C 28 175.961 175.961 174.691 1.270 25933 659 1 2 . 1 1 28 28 LYS CA C 28 55.327 55.327 56.245 -0.918 25933 660 1 2 . 1 1 28 28 LYS CB C 28 32.132 32.132 32.970 -0.838 25933 661 1 2 . 1 1 28 28 LYS H H 28 8.353 8.353 7.419 0.934 25933 662 1 2 . 1 1 29 29 VAL N N 29 115.183 115.183 120.484 -5.301 25933 663 1 2 . 1 1 29 29 VAL HA H 29 5.286 5.286 4.410 0.876 25933 664 1 2 . 1 1 29 29 VAL C C 29 174.480 174.480 173.042 1.438 25933 665 1 2 . 1 1 29 29 VAL CA C 29 58.616 58.616 59.613 -0.997 25933 666 1 2 . 1 1 29 29 VAL CB C 29 35.526 35.526 35.335 0.191 25933 667 1 2 . 1 1 29 29 VAL H H 29 8.346 8.346 8.056 0.290 25933 668 1 2 . 1 1 30 30 TYR N N 30 114.639 114.639 120.082 -5.443 25933 669 1 2 . 1 1 30 30 TYR HA H 30 5.821 5.821 4.674 1.147 25933 670 1 2 . 1 1 30 30 TYR C C 30 177.221 177.221 174.362 2.859 25933 671 1 2 . 1 1 30 30 TYR CA C 30 56.989 56.989 56.182 0.807 25933 672 1 2 . 1 1 30 30 TYR CB C 30 45.110 45.110 42.153 2.957 25933 673 1 2 . 1 1 30 30 TYR H H 30 8.792 8.792 8.725 0.067 25933 674 1 2 . 1 1 31 31 HIS N N 31 121.470 121.470 119.062 2.408 25933 675 1 2 . 1 1 31 31 HIS HA H 31 4.890 4.890 5.178 -0.288 25933 676 1 2 . 1 1 31 31 HIS C C 31 177.595 177.595 176.201 1.394 25933 677 1 2 . 1 1 31 31 HIS CA C 31 58.141 58.141 55.177 2.964 25933 678 1 2 . 1 1 31 31 HIS CB C 31 30.737 30.737 30.777 -0.040 25933 679 1 2 . 1 1 31 31 HIS H H 31 9.164 9.164 8.304 0.860 25933 680 1 2 . 1 1 32 32 ALA N N 32 129.786 129.786 128.105 1.681 25933 681 1 2 . 1 1 32 32 ALA HA H 32 3.829 3.829 3.867 -0.038 25933 682 1 2 . 1 1 32 32 ALA C C 32 180.494 180.494 178.336 2.158 25933 683 1 2 . 1 1 32 32 ALA CA C 32 56.044 56.044 55.571 0.473 25933 684 1 2 . 1 1 32 32 ALA CB C 32 17.179 17.179 18.762 -1.583 25933 685 1 2 . 1 1 32 32 ALA H H 32 9.768 9.768 8.843 0.925 25933 686 1 2 . 1 1 33 33 ASP N N 33 114.332 114.332 118.060 -3.728 25933 687 1 2 . 1 1 33 33 ASP HA H 33 4.521 4.521 4.375 0.146 25933 688 1 2 . 1 1 33 33 ASP C C 33 179.006 179.006 178.581 0.425 25933 689 1 2 . 1 1 33 33 ASP CA C 33 56.541 56.541 57.367 -0.826 25933 690 1 2 . 1 1 33 33 ASP CB C 33 40.316 40.316 40.758 -0.442 25933 691 1 2 . 1 1 33 33 ASP H H 33 8.832 8.832 8.595 0.237 25933 692 1 2 . 1 1 34 34 CYS N N 34 119.035 119.035 115.179 3.856 25933 693 1 2 . 1 1 34 34 CYS HA H 34 4.224 4.224 4.388 -0.164 25933 694 1 2 . 1 1 34 34 CYS C C 34 175.978 175.978 176.403 -0.425 25933 695 1 2 . 1 1 34 34 CYS CA C 34 63.491 63.491 59.367 4.123 25933 696 1 2 . 1 1 34 34 CYS CB C 34 28.925 28.925 26.508 2.417 25933 697 1 2 . 1 1 34 34 CYS H H 34 7.364 7.364 8.508 -1.144 25933 698 1 2 . 1 1 35 35 LEU N N 35 118.363 118.363 120.029 -1.666 25933 699 1 2 . 1 1 35 35 LEU HA H 35 4.404 4.404 4.420 -0.016 25933 700 1 2 . 1 1 35 35 LEU C C 35 176.327 176.327 176.185 0.142 25933 701 1 2 . 1 1 35 35 LEU CA C 35 53.966 53.966 54.878 -0.912 25933 702 1 2 . 1 1 35 35 LEU CB C 35 42.982 42.982 42.111 0.871 25933 703 1 2 . 1 1 35 35 LEU H H 35 7.135 7.135 7.637 -0.502 25933 704 1 2 . 1 1 36 36 ASN N N 36 116.501 116.501 114.734 1.767 25933 705 1 2 . 1 1 36 36 ASN HA H 36 4.461 4.461 4.454 0.007 25933 706 1 2 . 1 1 36 36 ASN C C 36 175.075 175.075 174.864 0.211 25933 707 1 2 . 1 1 36 36 ASN CA C 36 54.055 54.055 54.216 -0.161 25933 708 1 2 . 1 1 36 36 ASN CB C 36 37.552 37.552 36.222 1.330 25933 709 1 2 . 1 1 36 36 ASN H H 36 7.974 7.974 7.933 0.041 25933 710 1 2 . 1 1 37 37 LEU N N 37 119.139 119.139 120.909 -1.770 25933 711 1 2 . 1 1 37 37 LEU HA H 37 4.472 4.472 4.432 0.040 25933 712 1 2 . 1 1 37 37 LEU C C 37 178.114 178.114 177.896 0.218 25933 713 1 2 . 1 1 37 37 LEU CA C 37 54.421 54.421 55.311 -0.890 25933 714 1 2 . 1 1 37 37 LEU CB C 37 42.937 42.937 39.821 3.116 25933 715 1 2 . 1 1 37 37 LEU H H 37 7.953 7.953 8.671 -0.718 25933 716 1 2 . 1 1 38 38 THR N N 38 113.698 113.698 117.545 -3.847 25933 717 1 2 . 1 1 38 38 THR HA H 38 4.224 4.224 4.124 0.100 25933 718 1 2 . 1 1 38 38 THR C C 38 174.325 174.325 174.659 -0.334 25933 719 1 2 . 1 1 38 38 THR CA C 38 62.608 62.608 64.457 -1.849 25933 720 1 2 . 1 1 38 38 THR CB C 38 69.163 69.163 69.111 0.053 25933 721 1 2 . 1 1 38 38 THR H H 38 8.465 8.465 7.977 0.488 25933 722 1 2 . 1 1 39 39 LYS N N 39 120.070 120.070 122.133 -2.063 25933 723 1 2 . 1 1 39 39 LYS HA H 39 4.383 4.383 4.450 -0.067 25933 724 1 2 . 1 1 39 39 LYS C C 39 175.570 175.570 175.170 0.400 25933 725 1 2 . 1 1 39 39 LYS CA C 39 54.864 54.864 55.289 -0.425 25933 726 1 2 . 1 1 39 39 LYS CB C 39 34.079 34.079 33.251 0.828 25933 727 1 2 . 1 1 39 39 LYS H H 39 7.595 7.595 8.090 -0.495 25933 728 1 2 . 1 1 40 40 ARG N N 40 123.383 123.383 125.575 -2.192 25933 729 1 2 . 1 1 40 40 ARG HA H 40 4.163 4.163 4.396 -0.233 25933 730 1 2 . 1 1 40 40 ARG CA C 40 54.474 54.474 54.211 0.263 25933 731 1 2 . 1 1 40 40 ARG CB C 40 29.745 29.745 29.374 0.371 25933 732 1 2 . 1 1 40 40 ARG H H 40 8.372 8.372 8.397 -0.025 25933 733 1 2 . 1 1 41 41 PRO HA H 41 4.081 4.081 4.518 -0.437 25933 734 1 2 . 1 1 41 41 PRO C C 41 176.215 176.215 175.718 0.497 25933 735 1 2 . 1 1 41 41 PRO CA C 41 63.151 63.151 62.713 0.438 25933 736 1 2 . 1 1 41 41 PRO CB C 41 32.154 32.154 32.224 -0.070 25933 737 1 2 . 1 1 42 42 ALA N N 42 126.233 126.233 124.207 2.026 25933 738 1 2 . 1 1 42 42 ALA HA H 42 4.447 4.447 4.563 -0.116 25933 739 1 2 . 1 1 42 42 ALA C C 42 177.947 177.947 177.385 0.562 25933 740 1 2 . 1 1 42 42 ALA CA C 42 51.741 51.741 51.555 0.186 25933 741 1 2 . 1 1 42 42 ALA CB C 42 20.295 20.295 20.661 -0.366 25933 742 1 2 . 1 1 42 42 ALA H H 42 8.368 8.368 8.125 0.243 25933 743 1 2 . 1 1 43 43 GLY N N 43 108.071 108.071 112.183 -4.112 25933 744 1 2 . 1 1 43 43 GLY C C 43 174.630 174.630 174.443 0.187 25933 745 1 2 . 1 1 43 43 GLY CA C 43 45.871 45.871 45.057 0.814 25933 746 1 2 . 1 1 43 43 GLY H H 43 8.499 8.499 8.438 0.061 25933 747 1 2 . 1 1 44 44 LYS N N 44 123.859 123.859 125.150 -1.291 25933 748 1 2 . 1 1 44 44 LYS HA H 44 4.325 4.325 4.621 -0.296 25933 749 1 2 . 1 1 44 44 LYS CA C 44 56.012 56.012 55.617 0.395 25933 750 1 2 . 1 1 44 44 LYS CB C 44 31.307 31.307 32.121 -0.814 25933 751 1 2 . 1 1 44 44 LYS H H 44 8.485 8.485 8.381 0.104 25933 752 1 2 . 1 1 45 45 TRP N N 45 124.364 124.364 127.745 -3.381 25933 753 1 2 . 1 1 45 45 TRP HA H 45 4.317 4.317 4.761 -0.444 25933 754 1 2 . 1 1 45 45 TRP CA C 45 58.972 58.972 56.141 2.832 25933 755 1 2 . 1 1 45 45 TRP CB C 45 29.468 29.468 31.674 -2.206 25933 756 1 2 . 1 1 45 45 TRP H H 45 7.419 7.419 8.595 -1.176 25933 757 1 2 . 1 1 46 46 GLU N N 46 124.890 124.890 127.314 -2.424 25933 758 1 2 . 1 1 46 46 GLU HA H 46 4.623 4.623 4.277 0.346 25933 759 1 2 . 1 1 46 46 GLU CA C 46 53.864 53.864 54.639 -0.775 25933 760 1 2 . 1 1 46 46 GLU H H 46 7.623 7.623 8.150 -0.527 25933 761 1 2 . 1 1 47 47 CYS N N 47 130.384 130.384 122.402 7.982 25933 762 1 2 . 1 1 47 47 CYS HA H 47 4.623 4.623 3.800 0.823 25933 763 1 2 . 1 1 47 47 CYS H H 47 9.574 9.574 7.744 1.830 25933 764 1 2 . 1 1 48 48 PRO HA H 48 4.704 4.704 4.178 0.526 25933 765 1 2 . 1 1 48 48 PRO C C 48 177.973 177.973 177.766 0.207 25933 766 1 2 . 1 1 48 48 PRO CA C 48 64.380 64.380 64.561 -0.181 25933 767 1 2 . 1 1 48 48 PRO CB C 48 31.545 31.545 31.438 0.107 25933 768 1 2 . 1 1 49 49 TRP N N 49 124.314 124.314 119.927 4.387 25933 769 1 2 . 1 1 49 49 TRP HA H 49 5.248 5.248 4.455 0.793 25933 770 1 2 . 1 1 49 49 TRP C C 49 179.054 179.054 175.332 3.722 25933 771 1 2 . 1 1 49 49 TRP CA C 49 56.304 56.304 58.003 -1.699 25933 772 1 2 . 1 1 49 49 TRP CB C 49 31.375 31.375 28.351 3.024 25933 773 1 2 . 1 1 49 49 TRP H H 49 8.504 8.504 7.735 0.769 25933 774 1 2 . 1 1 50 50 HIS N N 50 110.531 110.531 111.854 -1.323 25933 775 1 2 . 1 1 50 50 HIS HA H 50 4.479 4.479 4.546 -0.067 25933 776 1 2 . 1 1 50 50 HIS C C 50 175.070 175.070 174.930 0.140 25933 777 1 2 . 1 1 50 50 HIS CA C 50 56.068 56.068 55.166 0.902 25933 778 1 2 . 1 1 50 50 HIS CB C 50 28.267 28.267 30.085 -1.818 25933 779 1 2 . 1 1 50 50 HIS H H 50 7.178 7.178 7.565 -0.387 25933 780 1 2 . 1 1 51 51 GLN N N 51 118.176 118.176 118.483 -0.307 25933 781 1 2 . 1 1 51 51 GLN HA H 51 4.638 4.638 5.005 -0.367 25933 782 1 2 . 1 1 51 51 GLN C C 51 172.785 172.785 174.710 -1.925 25933 783 1 2 . 1 1 51 51 GLN CA C 51 54.266 54.266 53.683 0.583 25933 784 1 2 . 1 1 51 51 GLN CB C 51 30.779 30.779 30.971 -0.192 25933 785 1 2 . 1 1 51 51 GLN H H 51 7.243 7.243 7.582 -0.340 25933 786 1 2 . 1 1 52 52 CYS N N 52 123.532 123.532 126.276 -2.744 25933 787 1 2 . 1 1 52 52 CYS HA H 52 4.049 4.049 4.607 -0.558 25933 788 1 2 . 1 1 52 52 CYS C C 52 177.807 177.807 176.307 1.500 25933 789 1 2 . 1 1 52 52 CYS CA C 52 58.257 58.257 59.281 -1.024 25933 790 1 2 . 1 1 52 52 CYS CB C 52 31.165 31.165 27.653 3.512 25933 791 1 2 . 1 1 52 52 CYS H H 52 9.344 9.344 9.117 0.227 25933 792 1 2 . 1 1 53 53 ASP N N 53 134.328 134.328 128.770 5.558 25933 793 1 2 . 1 1 53 53 ASP HA H 53 4.190 4.190 4.480 -0.290 25933 794 1 2 . 1 1 53 53 ASP C C 53 176.732 176.732 176.357 0.375 25933 795 1 2 . 1 1 53 53 ASP CA C 53 57.384 57.384 56.545 0.839 25933 796 1 2 . 1 1 53 53 ASP CB C 53 41.122 41.122 40.947 0.175 25933 797 1 2 . 1 1 53 53 ASP H H 53 9.185 9.185 8.999 0.186 25933 798 1 2 . 1 1 54 54 VAL N N 54 119.653 119.653 119.784 -0.131 25933 799 1 2 . 1 1 54 54 VAL HA H 54 3.877 3.877 4.062 -0.185 25933 800 1 2 . 1 1 54 54 VAL C C 54 177.243 177.243 176.815 0.428 25933 801 1 2 . 1 1 54 54 VAL CA C 54 65.092 65.092 64.712 0.380 25933 802 1 2 . 1 1 54 54 VAL CB C 54 33.012 33.012 32.571 0.442 25933 803 1 2 . 1 1 54 54 VAL H H 54 8.796 8.796 7.973 0.823 25933 804 1 2 . 1 1 55 55 CYS N N 55 115.992 115.992 115.547 0.445 25933 805 1 2 . 1 1 55 55 CYS HA H 55 5.112 5.112 4.999 0.113 25933 806 1 2 . 1 1 55 55 CYS C C 55 176.818 176.818 176.206 0.612 25933 807 1 2 . 1 1 55 55 CYS CA C 55 58.337 58.337 58.184 0.153 25933 808 1 2 . 1 1 55 55 CYS CB C 55 34.324 34.324 29.979 4.345 25933 809 1 2 . 1 1 55 55 CYS H H 55 7.604 7.604 8.204 -0.600 25933 810 1 2 . 1 1 56 56 GLY N N 56 114.227 114.227 111.171 3.056 25933 811 1 2 . 1 1 56 56 GLY C C 56 173.824 173.824 174.108 -0.284 25933 812 1 2 . 1 1 56 56 GLY CA C 56 46.409 46.409 45.576 0.833 25933 813 1 2 . 1 1 56 56 GLY H H 56 8.548 8.548 8.654 -0.106 25933 814 1 2 . 1 1 57 57 LYS N N 57 122.126 122.126 120.444 1.682 25933 815 1 2 . 1 1 57 57 LYS HA H 57 4.412 4.412 4.322 0.090 25933 816 1 2 . 1 1 57 57 LYS C C 57 175.055 175.055 175.993 -0.938 25933 817 1 2 . 1 1 57 57 LYS CA C 57 56.717 56.717 55.764 0.953 25933 818 1 2 . 1 1 57 57 LYS CB C 57 33.143 33.143 33.375 -0.232 25933 819 1 2 . 1 1 57 57 LYS H H 57 8.314 8.314 7.470 0.844 25933 820 1 2 . 1 1 58 58 GLU N N 58 120.782 120.782 119.877 0.905 25933 821 1 2 . 1 1 58 58 GLU HA H 58 4.153 4.153 4.313 -0.160 25933 822 1 2 . 1 1 58 58 GLU C C 58 176.662 176.662 176.212 0.450 25933 823 1 2 . 1 1 58 58 GLU CA C 58 57.913 57.913 57.076 0.837 25933 824 1 2 . 1 1 58 58 GLU CB C 58 29.825 29.825 30.234 -0.409 25933 825 1 2 . 1 1 58 58 GLU H H 58 8.502 8.502 8.598 -0.096 25933 826 1 2 . 1 1 59 59 ALA N N 59 127.052 127.052 128.751 -1.699 25933 827 1 2 . 1 1 59 59 ALA HA H 59 3.402 3.402 4.505 -1.103 25933 828 1 2 . 1 1 59 59 ALA C C 59 175.529 175.529 176.116 -0.587 25933 829 1 2 . 1 1 59 59 ALA CA C 59 52.238 52.238 51.842 0.396 25933 830 1 2 . 1 1 59 59 ALA CB C 59 19.006 19.006 19.682 -0.676 25933 831 1 2 . 1 1 59 59 ALA H H 59 7.812 7.812 8.755 -0.943 25933 832 1 2 . 1 1 60 60 ALA N N 60 122.703 122.703 125.606 -2.903 25933 833 1 2 . 1 1 60 60 ALA HA H 60 4.473 4.473 4.469 0.004 25933 834 1 2 . 1 1 60 60 ALA C C 60 176.087 176.087 176.768 -0.681 25933 835 1 2 . 1 1 60 60 ALA CA C 60 51.930 51.930 52.706 -0.776 25933 836 1 2 . 1 1 60 60 ALA CB C 60 23.146 23.146 20.056 3.090 25933 837 1 2 . 1 1 60 60 ALA H H 60 8.356 8.356 8.311 0.045 25933 838 1 2 . 1 1 61 61 SER N N 61 114.279 114.279 114.073 0.206 25933 839 1 2 . 1 1 61 61 SER HA H 61 4.637 4.637 4.032 0.605 25933 840 1 2 . 1 1 61 61 SER C C 61 171.865 171.865 172.449 -0.584 25933 841 1 2 . 1 1 61 61 SER CA C 61 58.060 58.060 56.739 1.321 25933 842 1 2 . 1 1 61 61 SER CB C 61 66.719 66.719 65.109 1.610 25933 843 1 2 . 1 1 61 61 SER H H 61 7.427 7.427 7.659 -0.232 25933 844 1 2 . 1 1 62 62 PHE N N 62 123.075 123.075 119.715 3.360 25933 845 1 2 . 1 1 62 62 PHE HA H 62 4.342 4.342 4.508 -0.166 25933 846 1 2 . 1 1 62 62 PHE C C 62 174.547 174.547 175.418 -0.871 25933 847 1 2 . 1 1 62 62 PHE CA C 62 57.701 57.701 55.656 2.045 25933 848 1 2 . 1 1 62 62 PHE CB C 62 41.207 41.207 40.724 0.483 25933 849 1 2 . 1 1 62 62 PHE H H 62 8.193 8.193 7.590 0.603 25933 850 1 2 . 1 1 63 63 CYS N N 63 126.326 126.326 125.084 1.242 25933 851 1 2 . 1 1 63 63 CYS HA H 63 4.297 4.297 4.542 -0.245 25933 852 1 2 . 1 1 63 63 CYS C C 63 176.289 176.289 176.499 -0.210 25933 853 1 2 . 1 1 63 63 CYS CA C 63 61.098 61.098 59.003 2.095 25933 854 1 2 . 1 1 63 63 CYS CB C 63 29.621 29.621 27.759 1.863 25933 855 1 2 . 1 1 63 63 CYS H H 63 9.106 9.106 8.826 0.280 25933 856 1 2 . 1 1 64 64 GLU N N 64 124.601 124.601 129.714 -5.113 25933 857 1 2 . 1 1 64 64 GLU HA H 64 4.887 4.887 4.798 0.089 25933 858 1 2 . 1 1 64 64 GLU C C 64 177.682 177.682 176.754 0.928 25933 859 1 2 . 1 1 64 64 GLU CA C 64 58.619 58.619 57.562 1.056 25933 860 1 2 . 1 1 64 64 GLU CB C 64 30.567 30.567 29.753 0.813 25933 861 1 2 . 1 1 64 64 GLU H H 64 8.911 8.911 9.257 -0.346 25933 862 1 2 . 1 1 65 65 MET N N 65 121.669 121.669 115.884 5.785 25933 863 1 2 . 1 1 65 65 MET HA H 65 4.536 4.536 4.709 -0.173 25933 864 1 2 . 1 1 65 65 MET C C 65 173.906 173.906 175.458 -1.552 25933 865 1 2 . 1 1 65 65 MET CA C 65 56.157 56.157 55.589 0.568 25933 866 1 2 . 1 1 65 65 MET CB C 65 33.770 33.770 35.596 -1.826 25933 867 1 2 . 1 1 65 65 MET H H 65 9.972 9.972 7.859 2.113 25933 868 1 2 . 1 1 66 66 CYS N N 66 127.827 127.827 114.625 13.202 25933 869 1 2 . 1 1 66 66 CYS HA H 66 3.424 3.424 4.557 -1.133 25933 870 1 2 . 1 1 66 66 CYS CA C 66 57.581 57.581 56.604 0.977 25933 871 1 2 . 1 1 66 66 CYS CB C 66 29.900 29.900 28.852 1.048 25933 872 1 2 . 1 1 66 66 CYS H H 66 8.286 8.286 7.729 0.557 25933 873 1 2 . 1 1 67 67 PRO HA H 67 4.660 4.660 4.751 -0.091 25933 874 1 2 . 1 1 67 67 PRO C C 67 176.387 176.387 176.240 0.147 25933 875 1 2 . 1 1 67 67 PRO CA C 67 64.462 64.462 63.556 0.906 25933 876 1 2 . 1 1 67 67 PRO CB C 67 31.018 31.018 31.287 -0.269 25933 877 1 2 . 1 1 68 68 SER N N 68 122.983 122.983 117.633 5.350 25933 878 1 2 . 1 1 68 68 SER HA H 68 5.148 5.148 4.275 0.873 25933 879 1 2 . 1 1 68 68 SER C C 68 173.421 173.421 173.427 -0.006 25933 880 1 2 . 1 1 68 68 SER CA C 68 59.799 59.799 58.282 1.517 25933 881 1 2 . 1 1 68 68 SER CB C 68 64.047 64.047 62.951 1.096 25933 882 1 2 . 1 1 68 68 SER H H 68 8.864 8.864 7.667 1.197 25933 883 1 2 . 1 1 69 69 SER N N 69 115.147 115.147 120.496 -5.349 25933 884 1 2 . 1 1 69 69 SER HA H 69 4.443 4.443 4.719 -0.276 25933 885 1 2 . 1 1 69 69 SER C C 69 171.436 171.436 173.007 -1.571 25933 886 1 2 . 1 1 69 69 SER CA C 69 56.585 56.585 57.325 -0.741 25933 887 1 2 . 1 1 69 69 SER CB C 69 63.959 63.959 64.734 -0.775 25933 888 1 2 . 1 1 69 69 SER H H 69 7.874 7.874 7.945 -0.071 25933 889 1 2 . 1 1 70 70 PHE N N 70 112.477 112.477 118.383 -5.906 25933 890 1 2 . 1 1 70 70 PHE HA H 70 6.052 6.052 5.069 0.984 25933 891 1 2 . 1 1 70 70 PHE C C 70 176.905 176.905 175.409 1.496 25933 892 1 2 . 1 1 70 70 PHE CA C 70 57.026 57.026 56.688 0.338 25933 893 1 2 . 1 1 70 70 PHE CB C 70 45.774 45.774 43.496 2.278 25933 894 1 2 . 1 1 70 70 PHE H H 70 8.192 8.192 8.658 -0.466 25933 895 1 2 . 1 1 71 71 CYS N N 71 121.843 121.843 118.803 3.040 25933 896 1 2 . 1 1 71 71 CYS HA H 71 4.806 4.806 5.081 -0.275 25933 897 1 2 . 1 1 71 71 CYS C C 71 174.332 174.332 176.151 -1.819 25933 898 1 2 . 1 1 71 71 CYS CA C 71 58.618 58.618 56.828 1.790 25933 899 1 2 . 1 1 71 71 CYS CB C 71 30.249 30.249 30.135 0.114 25933 900 1 2 . 1 1 71 71 CYS H H 71 9.511 9.511 8.657 0.854 25933 901 1 2 . 1 1 72 72 LYS N N 72 118.091 118.091 120.111 -2.020 25933 902 1 2 . 1 1 72 72 LYS HA H 72 3.679 3.679 3.820 -0.141 25933 903 1 2 . 1 1 72 72 LYS C C 72 177.831 177.831 179.384 -1.553 25933 904 1 2 . 1 1 72 72 LYS CA C 72 60.445 60.445 60.082 0.363 25933 905 1 2 . 1 1 72 72 LYS CB C 72 32.277 32.277 32.141 0.136 25933 906 1 2 . 1 1 72 72 LYS H H 72 8.804 8.804 8.743 0.061 25933 907 1 2 . 1 1 73 73 GLN N N 73 118.381 118.381 117.870 0.511 25933 908 1 2 . 1 1 73 73 GLN HA H 73 4.078 4.078 4.050 0.028 25933 909 1 2 . 1 1 73 73 GLN C C 73 177.491 177.491 178.012 -0.521 25933 910 1 2 . 1 1 73 73 GLN CA C 73 57.894 57.894 58.398 -0.504 25933 911 1 2 . 1 1 73 73 GLN CB C 73 28.754 28.754 28.613 0.140 25933 912 1 2 . 1 1 73 73 GLN H H 73 8.139 8.139 7.953 0.186 25933 913 1 2 . 1 1 74 74 HIS N N 74 117.140 117.140 116.131 1.009 25933 914 1 2 . 1 1 74 74 HIS HA H 74 5.015 5.015 4.589 0.426 25933 915 1 2 . 1 1 74 74 HIS C C 74 174.206 174.206 176.175 -1.969 25933 916 1 2 . 1 1 74 74 HIS CA C 74 57.692 57.692 56.795 0.897 25933 917 1 2 . 1 1 74 74 HIS CB C 74 32.739 32.739 30.066 2.673 25933 918 1 2 . 1 1 74 74 HIS H H 74 7.628 7.628 7.524 0.104 25933 919 1 2 . 1 1 75 75 ARG N N 75 115.977 115.977 118.394 -2.417 25933 920 1 2 . 1 1 75 75 ARG HA H 75 3.699 3.699 4.289 -0.590 25933 921 1 2 . 1 1 75 75 ARG C C 75 176.493 176.493 175.790 0.703 25933 922 1 2 . 1 1 75 75 ARG CA C 75 57.925 57.925 57.598 0.327 25933 923 1 2 . 1 1 75 75 ARG CB C 75 30.179 30.179 30.500 -0.321 25933 924 1 2 . 1 1 75 75 ARG H H 75 7.415 7.415 7.970 -0.555 25933 925 1 2 . 1 1 76 76 GLU N N 76 123.649 123.649 121.553 2.096 25933 926 1 2 . 1 1 76 76 GLU HA H 76 3.955 3.955 4.132 -0.177 25933 927 1 2 . 1 1 76 76 GLU C C 76 177.401 177.401 177.211 0.190 25933 928 1 2 . 1 1 76 76 GLU CA C 76 58.208 58.208 57.595 0.613 25933 929 1 2 . 1 1 76 76 GLU CB C 76 28.668 28.668 29.435 -0.767 25933 930 1 2 . 1 1 76 76 GLU H H 76 8.094 8.094 7.435 0.659 25933 931 1 2 . 1 1 77 77 GLY N N 77 114.787 114.787 114.305 0.482 25933 932 1 2 . 1 1 77 77 GLY C C 77 174.193 174.193 174.970 -0.777 25933 933 1 2 . 1 1 77 77 GLY CA C 77 45.502 45.502 46.158 -0.656 25933 934 1 2 . 1 1 77 77 GLY H H 77 8.831 8.831 9.067 -0.236 25933 935 1 2 . 1 1 78 78 MET N N 78 115.494 115.494 117.464 -1.970 25933 936 1 2 . 1 1 78 78 MET HA H 78 4.608 4.608 4.637 -0.029 25933 937 1 2 . 1 1 78 78 MET C C 78 175.808 175.808 174.833 0.975 25933 938 1 2 . 1 1 78 78 MET CA C 78 53.865 53.865 54.937 -1.072 25933 939 1 2 . 1 1 78 78 MET CB C 78 33.146 33.146 34.470 -1.324 25933 940 1 2 . 1 1 78 78 MET H H 78 7.320 7.320 7.522 -0.202 25933 941 1 2 . 1 1 79 79 LEU N N 79 116.112 116.112 119.967 -3.855 25933 942 1 2 . 1 1 79 79 LEU HA H 79 5.083 5.083 4.686 0.397 25933 943 1 2 . 1 1 79 79 LEU C C 79 175.580 175.580 174.664 0.916 25933 944 1 2 . 1 1 79 79 LEU CA C 79 52.710 52.710 53.913 -1.203 25933 945 1 2 . 1 1 79 79 LEU CB C 79 46.268 46.268 45.412 0.856 25933 946 1 2 . 1 1 79 79 LEU H H 79 6.783 6.783 7.851 -1.068 25933 947 1 2 . 1 1 80 80 PHE N N 80 121.484 121.484 120.725 0.759 25933 948 1 2 . 1 1 80 80 PHE HA H 80 4.773 4.773 4.931 -0.158 25933 949 1 2 . 1 1 80 80 PHE C C 80 174.354 174.354 173.635 0.719 25933 950 1 2 . 1 1 80 80 PHE CA C 80 56.225 56.225 55.628 0.597 25933 951 1 2 . 1 1 80 80 PHE CB C 80 42.377 42.377 41.179 1.198 25933 952 1 2 . 1 1 80 80 PHE H H 80 9.296 9.296 8.172 1.124 25933 953 1 2 . 1 1 81 81 ILE N N 81 123.854 123.854 120.788 3.066 25933 954 1 2 . 1 1 81 81 ILE HA H 81 4.088 4.088 4.350 -0.262 25933 955 1 2 . 1 1 81 81 ILE C C 81 176.829 176.829 176.323 0.506 25933 956 1 2 . 1 1 81 81 ILE CA C 81 60.636 60.636 60.684 -0.048 25933 957 1 2 . 1 1 81 81 ILE CB C 81 37.486 37.486 37.508 -0.022 25933 958 1 2 . 1 1 81 81 ILE H H 81 8.798 8.798 8.474 0.324 25933 959 1 2 . 1 1 82 82 SER N N 82 124.730 124.730 122.599 2.131 25933 960 1 2 . 1 1 82 82 SER HA H 82 4.530 4.530 4.576 -0.046 25933 961 1 2 . 1 1 82 82 SER C C 82 177.460 177.460 175.532 1.928 25933 962 1 2 . 1 1 82 82 SER CA C 82 58.180 58.180 58.704 -0.524 25933 963 1 2 . 1 1 82 82 SER CB C 82 64.054 64.054 63.948 0.106 25933 964 1 2 . 1 1 82 82 SER H H 82 8.898 8.898 9.048 -0.150 25933 965 1 2 . 1 1 83 83 LYS N N 83 129.518 129.518 128.358 1.160 25933 966 1 2 . 1 1 83 83 LYS HA H 83 4.198 4.198 4.201 -0.003 25933 967 1 2 . 1 1 83 83 LYS C C 83 177.173 177.173 177.142 0.031 25933 968 1 2 . 1 1 83 83 LYS CA C 83 57.848 57.848 58.765 -0.917 25933 969 1 2 . 1 1 83 83 LYS CB C 83 32.376 32.376 32.428 -0.052 25933 970 1 2 . 1 1 83 83 LYS H H 83 9.269 9.269 8.922 0.347 25933 971 1 2 . 1 1 84 84 LEU N N 84 120.539 120.539 119.962 0.577 25933 972 1 2 . 1 1 84 84 LEU HA H 84 4.284 4.284 4.249 0.035 25933 973 1 2 . 1 1 84 84 LEU C C 84 178.443 178.443 178.555 -0.112 25933 974 1 2 . 1 1 84 84 LEU CA C 84 56.827 56.827 56.992 -0.165 25933 975 1 2 . 1 1 84 84 LEU CB C 84 41.901 41.901 42.548 -0.647 25933 976 1 2 . 1 1 84 84 LEU H H 84 8.364 8.364 7.733 0.631 25933 977 1 2 . 1 1 85 85 ASP N N 85 114.333 114.333 115.512 -1.179 25933 978 1 2 . 1 1 85 85 ASP HA H 85 4.737 4.737 4.766 -0.029 25933 979 1 2 . 1 1 85 85 ASP C C 85 177.413 177.413 177.544 -0.131 25933 980 1 2 . 1 1 85 85 ASP CA C 85 53.056 53.056 54.693 -1.637 25933 981 1 2 . 1 1 85 85 ASP CB C 85 42.065 42.065 42.462 -0.397 25933 982 1 2 . 1 1 85 85 ASP H H 85 7.326 7.326 8.302 -0.976 25933 983 1 2 . 1 1 86 86 GLY N N 86 108.607 108.607 108.440 0.167 25933 984 1 2 . 1 1 86 86 GLY C C 86 174.036 174.036 173.790 0.246 25933 985 1 2 . 1 1 86 86 GLY CA C 86 46.037 46.037 45.616 0.421 25933 986 1 2 . 1 1 86 86 GLY H H 86 7.901 7.901 8.067 -0.166 25933 987 1 2 . 1 1 87 87 ARG N N 87 120.598 120.598 119.473 1.125 25933 988 1 2 . 1 1 87 87 ARG HA H 87 4.345 4.345 4.594 -0.249 25933 989 1 2 . 1 1 87 87 ARG C C 87 175.968 175.968 176.588 -0.620 25933 990 1 2 . 1 1 87 87 ARG CA C 87 56.810 56.810 55.107 1.703 25933 991 1 2 . 1 1 87 87 ARG CB C 87 31.934 31.934 31.472 0.462 25933 992 1 2 . 1 1 87 87 ARG H H 87 7.948 7.948 7.720 0.228 25933 993 1 2 . 1 1 88 88 LEU N N 88 126.752 126.752 124.932 1.820 25933 994 1 2 . 1 1 88 88 LEU HA H 88 4.576 4.576 4.557 0.019 25933 995 1 2 . 1 1 88 88 LEU C C 88 176.060 176.060 176.098 -0.038 25933 996 1 2 . 1 1 88 88 LEU CA C 88 55.558 55.558 55.705 -0.147 25933 997 1 2 . 1 1 88 88 LEU CB C 88 42.815 42.815 41.629 1.186 25933 998 1 2 . 1 1 88 88 LEU H H 88 8.968 8.968 9.233 -0.265 25933 999 1 2 . 1 1 89 89 SER N N 89 118.859 118.859 119.725 -0.866 25933 1000 1 2 . 1 1 89 89 SER HA H 89 6.146 6.146 5.149 0.997 25933 1001 1 2 . 1 1 89 89 SER C C 89 174.338 174.338 173.449 0.889 25933 1002 1 2 . 1 1 89 89 SER CA C 89 56.311 56.311 56.360 -0.049 25933 1003 1 2 . 1 1 89 89 SER CB C 89 67.072 67.072 65.767 1.305 25933 1004 1 2 . 1 1 89 89 SER H H 89 9.083 9.083 8.973 0.110 25933 1005 1 2 . 1 1 90 90 CYS N N 90 128.907 128.907 124.141 4.766 25933 1006 1 2 . 1 1 90 90 CYS HA H 90 5.815 5.815 5.381 0.434 25933 1007 1 2 . 1 1 90 90 CYS C C 90 176.386 176.386 177.005 -0.619 25933 1008 1 2 . 1 1 90 90 CYS CA C 90 58.908 58.908 55.802 3.106 25933 1009 1 2 . 1 1 90 90 CYS CB C 90 29.444 29.444 30.308 -0.864 25933 1010 1 2 . 1 1 90 90 CYS H H 90 10.389 10.389 8.233 2.156 25933 1011 1 2 . 1 1 91 91 THR N N 91 108.692 108.692 111.133 -2.441 25933 1012 1 2 . 1 1 91 91 THR HA H 91 4.398 4.398 4.308 0.090 25933 1013 1 2 . 1 1 91 91 THR C C 91 175.912 175.912 175.560 0.352 25933 1014 1 2 . 1 1 91 91 THR CA C 91 63.576 63.576 63.955 -0.379 25933 1015 1 2 . 1 1 91 91 THR CB C 91 69.172 69.172 68.545 0.627 25933 1016 1 2 . 1 1 91 91 THR H H 91 8.435 8.435 8.452 -0.017 25933 1017 1 2 . 1 1 92 92 GLU N N 92 123.418 123.418 120.099 3.319 25933 1018 1 2 . 1 1 92 92 GLU HA H 92 4.280 4.280 4.300 -0.020 25933 1019 1 2 . 1 1 92 92 GLU C C 92 175.937 175.937 176.617 -0.680 25933 1020 1 2 . 1 1 92 92 GLU CA C 92 56.582 56.582 56.559 0.023 25933 1021 1 2 . 1 1 92 92 GLU CB C 92 28.887 28.887 29.648 -0.761 25933 1022 1 2 . 1 1 92 92 GLU H H 92 8.626 8.626 7.530 1.096 25933 1023 1 2 . 1 1 93 93 HIS N N 93 117.178 117.178 117.523 -0.345 25933 1024 1 2 . 1 1 93 93 HIS HA H 93 4.789 4.789 4.931 -0.142 25933 1025 1 2 . 1 1 93 93 HIS C C 93 174.016 174.016 173.745 0.271 25933 1026 1 2 . 1 1 93 93 HIS CA C 93 54.275 54.275 54.679 -0.404 25933 1027 1 2 . 1 1 93 93 HIS CB C 93 29.373 29.373 29.205 0.168 25933 1028 1 2 . 1 1 93 93 HIS H H 93 7.244 7.244 7.556 -0.312 25933 1029 1 3 . 1 1 2 2 ALA N N 2 124.503 124.503 123.529 0.974 25933 1030 1 3 . 1 1 2 2 ALA HA H 2 4.337 4.337 4.393 -0.056 25933 1031 1 3 . 1 1 2 2 ALA C C 2 177.688 177.688 175.631 2.057 25933 1032 1 3 . 1 1 2 2 ALA CA C 2 52.598 52.598 52.603 -0.005 25933 1033 1 3 . 1 1 2 2 ALA CB C 2 19.375 19.375 18.267 1.108 25933 1034 1 3 . 1 1 2 2 ALA H H 2 8.639 8.639 8.509 0.130 25933 1035 1 3 . 1 1 3 3 MET N N 3 120.183 120.183 119.316 0.867 25933 1036 1 3 . 1 1 3 3 MET HA H 3 4.402 4.402 4.723 -0.321 25933 1037 1 3 . 1 1 3 3 MET C C 3 176.072 176.072 174.658 1.414 25933 1038 1 3 . 1 1 3 3 MET CA C 3 55.636 55.636 54.852 0.784 25933 1039 1 3 . 1 1 3 3 MET CB C 3 32.936 32.936 34.174 -1.238 25933 1040 1 3 . 1 1 3 3 MET H H 3 8.483 8.483 8.301 0.182 25933 1041 1 3 . 1 1 4 4 GLU N N 4 123.573 123.573 121.064 2.509 25933 1042 1 3 . 1 1 4 4 GLU HA H 4 4.255 4.255 4.464 -0.209 25933 1043 1 3 . 1 1 4 4 GLU C C 4 175.719 175.719 175.442 0.277 25933 1044 1 3 . 1 1 4 4 GLU CA C 4 56.516 56.516 55.332 1.184 25933 1045 1 3 . 1 1 4 4 GLU CB C 4 30.209 30.209 30.484 -0.275 25933 1046 1 3 . 1 1 4 4 GLU H H 4 8.417 8.417 8.265 0.152 25933 1047 1 3 . 1 1 5 5 ARG N N 5 121.879 121.879 126.439 -4.560 25933 1048 1 3 . 1 1 5 5 ARG HA H 5 4.327 4.327 4.090 0.237 25933 1049 1 3 . 1 1 5 5 ARG C C 5 175.991 175.991 175.720 0.271 25933 1050 1 3 . 1 1 5 5 ARG CA C 5 55.879 55.879 56.703 -0.824 25933 1051 1 3 . 1 1 5 5 ARG CB C 5 31.336 31.336 30.844 0.492 25933 1052 1 3 . 1 1 5 5 ARG H H 5 8.099 8.099 8.587 -0.488 25933 1053 1 3 . 1 1 6 6 GLU N N 6 124.508 124.508 124.429 0.079 25933 1054 1 3 . 1 1 6 6 GLU HA H 6 4.245 4.245 4.268 -0.023 25933 1055 1 3 . 1 1 6 6 GLU C C 6 174.941 174.941 175.777 -0.836 25933 1056 1 3 . 1 1 6 6 GLU CA C 6 56.775 56.775 56.397 0.378 25933 1057 1 3 . 1 1 6 6 GLU CB C 6 30.421 30.421 30.796 -0.375 25933 1058 1 3 . 1 1 6 6 GLU H H 6 8.560 8.560 8.468 0.092 25933 1059 1 3 . 1 1 7 7 ASP N N 7 117.067 117.067 122.214 -5.147 25933 1060 1 3 . 1 1 7 7 ASP HA H 7 4.520 4.520 4.742 -0.223 25933 1061 1 3 . 1 1 7 7 ASP C C 7 174.744 174.744 174.843 -0.099 25933 1062 1 3 . 1 1 7 7 ASP CA C 7 53.697 53.697 54.203 -0.506 25933 1063 1 3 . 1 1 7 7 ASP CB C 7 42.222 42.222 40.996 1.226 25933 1064 1 3 . 1 1 7 7 ASP H H 7 8.237 8.237 8.443 -0.206 25933 1065 1 3 . 1 1 8 8 GLU N N 8 116.268 116.268 119.011 -2.743 25933 1066 1 3 . 1 1 8 8 GLU HA H 8 4.083 4.083 4.371 -0.288 25933 1067 1 3 . 1 1 8 8 GLU C C 8 173.257 173.257 174.060 -0.803 25933 1068 1 3 . 1 1 8 8 GLU CA C 8 54.382 54.382 55.209 -0.827 25933 1069 1 3 . 1 1 8 8 GLU CB C 8 32.438 32.438 32.516 -0.078 25933 1070 1 3 . 1 1 8 8 GLU H H 8 7.005 7.005 7.419 -0.414 25933 1071 1 3 . 1 1 9 9 CYS N N 9 124.211 124.211 125.422 -1.211 25933 1072 1 3 . 1 1 9 9 CYS HA H 9 4.157 4.157 4.712 -0.555 25933 1073 1 3 . 1 1 9 9 CYS C C 9 178.384 178.384 175.917 2.467 25933 1074 1 3 . 1 1 9 9 CYS CA C 9 57.640 57.640 57.961 -0.321 25933 1075 1 3 . 1 1 9 9 CYS CB C 9 31.396 31.396 26.600 4.796 25933 1076 1 3 . 1 1 9 9 CYS H H 9 8.220 8.220 8.794 -0.574 25933 1077 1 3 . 1 1 10 10 PHE N N 10 131.759 131.759 128.484 3.275 25933 1078 1 3 . 1 1 10 10 PHE HA H 10 4.695 4.695 4.192 0.503 25933 1079 1 3 . 1 1 10 10 PHE C C 10 176.194 176.194 175.642 0.552 25933 1080 1 3 . 1 1 10 10 PHE CA C 10 55.935 55.935 60.558 -4.623 25933 1081 1 3 . 1 1 10 10 PHE CB C 10 38.279 38.279 39.512 -1.233 25933 1082 1 3 . 1 1 10 10 PHE H H 10 8.765 8.765 8.108 0.657 25933 1083 1 3 . 1 1 11 11 SER N N 11 114.027 114.027 114.262 -0.235 25933 1084 1 3 . 1 1 11 11 SER HA H 11 4.331 4.331 4.199 0.132 25933 1085 1 3 . 1 1 11 11 SER C C 11 175.836 175.836 174.448 1.388 25933 1086 1 3 . 1 1 11 11 SER CA C 11 61.956 61.956 60.649 1.307 25933 1087 1 3 . 1 1 11 11 SER CB C 11 63.774 63.774 63.777 -0.003 25933 1088 1 3 . 1 1 11 11 SER H H 11 8.686 8.686 8.207 0.479 25933 1089 1 3 . 1 1 12 12 CYS N N 12 118.224 118.224 116.878 1.346 25933 1090 1 3 . 1 1 12 12 CYS HA H 12 5.121 5.121 4.794 0.327 25933 1091 1 3 . 1 1 12 12 CYS C C 12 176.817 176.817 175.797 1.020 25933 1092 1 3 . 1 1 12 12 CYS CA C 12 58.693 58.693 59.029 -0.336 25933 1093 1 3 . 1 1 12 12 CYS CB C 12 32.837 32.837 30.605 2.232 25933 1094 1 3 . 1 1 12 12 CYS H H 12 8.195 8.195 7.511 0.684 25933 1095 1 3 . 1 1 13 13 GLY N N 13 114.509 114.509 109.270 5.239 25933 1096 1 3 . 1 1 13 13 GLY C C 13 173.093 173.093 173.518 -0.425 25933 1097 1 3 . 1 1 13 13 GLY CA C 13 46.346 46.346 45.574 0.772 25933 1098 1 3 . 1 1 13 13 GLY H H 13 8.385 8.385 8.539 -0.154 25933 1099 1 3 . 1 1 14 14 ASP N N 14 122.123 122.123 120.041 2.082 25933 1100 1 3 . 1 1 14 14 ASP HA H 14 5.294 5.294 4.840 0.454 25933 1101 1 3 . 1 1 14 14 ASP C C 14 176.111 176.111 174.802 1.309 25933 1102 1 3 . 1 1 14 14 ASP CA C 14 53.304 53.304 53.437 -0.133 25933 1103 1 3 . 1 1 14 14 ASP CB C 14 43.175 43.175 43.438 -0.264 25933 1104 1 3 . 1 1 14 14 ASP H H 14 8.512 8.512 7.776 0.736 25933 1105 1 3 . 1 1 15 15 ALA N N 15 123.765 123.765 122.181 1.584 25933 1106 1 3 . 1 1 15 15 ALA HA H 15 4.679 4.679 4.720 -0.041 25933 1107 1 3 . 1 1 15 15 ALA C C 15 177.375 177.375 176.589 0.786 25933 1108 1 3 . 1 1 15 15 ALA CA C 15 51.216 51.216 50.780 0.436 25933 1109 1 3 . 1 1 15 15 ALA CB C 15 19.842 19.842 20.823 -0.981 25933 1110 1 3 . 1 1 15 15 ALA H H 15 8.538 8.538 8.385 0.153 25933 1111 1 3 . 1 1 16 16 GLY N N 16 108.898 108.898 110.412 -1.514 25933 1112 1 3 . 1 1 16 16 GLY C C 16 172.132 172.132 173.604 -1.472 25933 1113 1 3 . 1 1 16 16 GLY CA C 16 45.320 45.320 46.115 -0.795 25933 1114 1 3 . 1 1 16 16 GLY H H 16 8.304 8.304 8.033 0.271 25933 1115 1 3 . 1 1 17 17 GLN N N 17 125.473 125.473 123.820 1.653 25933 1116 1 3 . 1 1 17 17 GLN HA H 17 4.359 4.359 4.435 -0.076 25933 1117 1 3 . 1 1 17 17 GLN C C 17 175.263 175.263 174.955 0.308 25933 1118 1 3 . 1 1 17 17 GLN CA C 17 55.779 55.779 55.345 0.434 25933 1119 1 3 . 1 1 17 17 GLN CB C 17 27.927 27.927 27.970 -0.043 25933 1120 1 3 . 1 1 17 17 GLN H H 17 8.887 8.887 8.527 0.360 25933 1121 1 3 . 1 1 18 18 LEU N N 18 127.246 127.246 125.680 1.566 25933 1122 1 3 . 1 1 18 18 LEU HA H 18 4.714 4.714 5.068 -0.354 25933 1123 1 3 . 1 1 18 18 LEU C C 18 177.078 177.078 175.662 1.416 25933 1124 1 3 . 1 1 18 18 LEU CA C 18 53.755 53.755 53.712 0.044 25933 1125 1 3 . 1 1 18 18 LEU CB C 18 44.191 44.191 43.541 0.650 25933 1126 1 3 . 1 1 18 18 LEU H H 18 8.322 8.322 8.105 0.217 25933 1127 1 3 . 1 1 19 19 VAL N N 19 121.280 121.280 122.197 -0.917 25933 1128 1 3 . 1 1 19 19 VAL HA H 19 4.547 4.547 4.387 0.160 25933 1129 1 3 . 1 1 19 19 VAL C C 19 175.238 175.238 174.384 0.854 25933 1130 1 3 . 1 1 19 19 VAL CA C 19 59.975 59.975 60.237 -0.262 25933 1131 1 3 . 1 1 19 19 VAL CB C 19 33.809 33.809 33.557 0.251 25933 1132 1 3 . 1 1 19 19 VAL H H 19 9.789 9.789 8.961 0.828 25933 1133 1 3 . 1 1 20 20 SER N N 20 118.562 118.562 122.922 -4.360 25933 1134 1 3 . 1 1 20 20 SER HA H 20 5.062 5.062 4.717 0.345 25933 1135 1 3 . 1 1 20 20 SER C C 20 174.439 174.439 173.861 0.578 25933 1136 1 3 . 1 1 20 20 SER CA C 20 57.132 57.132 57.594 -0.462 25933 1137 1 3 . 1 1 20 20 SER CB C 20 64.811 64.811 64.685 0.126 25933 1138 1 3 . 1 1 20 20 SER H H 20 8.638 8.638 8.401 0.237 25933 1139 1 3 . 1 1 21 21 CYS N N 21 125.432 125.432 123.537 1.895 25933 1140 1 3 . 1 1 21 21 CYS HA H 21 4.311 4.311 4.740 -0.429 25933 1141 1 3 . 1 1 21 21 CYS CA C 21 61.656 61.656 59.014 2.642 25933 1142 1 3 . 1 1 21 21 CYS CB C 21 31.029 31.029 28.032 2.998 25933 1143 1 3 . 1 1 21 21 CYS H H 21 8.132 8.132 8.461 -0.329 25933 1144 1 3 . 1 1 22 22 LYS N N 22 125.587 125.587 123.524 2.063 25933 1145 1 3 . 1 1 22 22 LYS HA H 22 4.648 4.648 4.538 0.110 25933 1146 1 3 . 1 1 22 22 LYS C C 22 177.460 177.460 176.213 1.247 25933 1147 1 3 . 1 1 22 22 LYS H H 22 8.294 8.294 9.066 -0.772 25933 1148 1 3 . 1 1 23 23 LYS N N 23 130.703 130.703 121.515 9.188 25933 1149 1 3 . 1 1 23 23 LYS HA H 23 4.385 4.385 4.731 -0.346 25933 1150 1 3 . 1 1 23 23 LYS CA C 23 55.222 55.222 52.779 2.443 25933 1151 1 3 . 1 1 23 23 LYS CB C 23 33.949 33.949 34.703 -0.754 25933 1152 1 3 . 1 1 23 23 LYS H H 23 9.496 9.496 7.778 1.718 25933 1153 1 3 . 1 1 24 24 PRO HA H 24 4.198 4.198 4.225 -0.027 25933 1154 1 3 . 1 1 24 24 PRO C C 24 177.835 177.835 177.781 0.054 25933 1155 1 3 . 1 1 24 24 PRO CA C 24 64.454 64.454 63.368 1.086 25933 1156 1 3 . 1 1 24 24 PRO CB C 24 31.420 31.420 31.731 -0.311 25933 1157 1 3 . 1 1 25 25 GLY N N 25 114.246 114.246 111.686 2.560 25933 1158 1 3 . 1 1 25 25 GLY C C 25 173.630 173.630 173.926 -0.296 25933 1159 1 3 . 1 1 25 25 GLY CA C 25 45.200 45.200 44.825 0.376 25933 1160 1 3 . 1 1 25 25 GLY H H 25 8.823 8.823 8.624 0.199 25933 1161 1 3 . 1 1 26 26 CYS N N 26 126.002 126.002 120.612 5.390 25933 1162 1 3 . 1 1 26 26 CYS HA H 26 5.014 5.014 5.048 -0.034 25933 1163 1 3 . 1 1 26 26 CYS CA C 26 56.747 56.747 56.232 0.515 25933 1164 1 3 . 1 1 26 26 CYS CB C 26 32.711 32.711 28.506 4.205 25933 1165 1 3 . 1 1 26 26 CYS H H 26 8.076 8.076 7.875 0.201 25933 1166 1 3 . 1 1 27 27 PRO HA H 27 4.802 4.802 4.877 -0.075 25933 1167 1 3 . 1 1 27 27 PRO C C 27 175.970 175.970 175.258 0.712 25933 1168 1 3 . 1 1 27 27 PRO CA C 27 63.334 63.334 62.551 0.783 25933 1169 1 3 . 1 1 27 27 PRO CB C 27 32.920 32.920 31.616 1.304 25933 1170 1 3 . 1 1 28 28 LYS N N 28 121.413 121.413 119.417 1.996 25933 1171 1 3 . 1 1 28 28 LYS HA H 28 3.889 3.889 4.329 -0.440 25933 1172 1 3 . 1 1 28 28 LYS C C 28 175.961 175.961 174.529 1.432 25933 1173 1 3 . 1 1 28 28 LYS CA C 28 55.327 55.327 55.341 -0.014 25933 1174 1 3 . 1 1 28 28 LYS CB C 28 32.132 32.132 34.572 -2.440 25933 1175 1 3 . 1 1 28 28 LYS H H 28 8.353 8.353 7.448 0.905 25933 1176 1 3 . 1 1 29 29 VAL N N 29 115.183 115.183 119.051 -3.868 25933 1177 1 3 . 1 1 29 29 VAL HA H 29 5.286 5.286 4.313 0.973 25933 1178 1 3 . 1 1 29 29 VAL C C 29 174.480 174.480 173.186 1.294 25933 1179 1 3 . 1 1 29 29 VAL CA C 29 58.616 58.616 60.313 -1.697 25933 1180 1 3 . 1 1 29 29 VAL CB C 29 35.526 35.526 35.731 -0.205 25933 1181 1 3 . 1 1 29 29 VAL H H 29 8.346 8.346 8.105 0.241 25933 1182 1 3 . 1 1 30 30 TYR N N 30 114.639 114.639 120.118 -5.479 25933 1183 1 3 . 1 1 30 30 TYR HA H 30 5.821 5.821 4.758 1.063 25933 1184 1 3 . 1 1 30 30 TYR C C 30 177.221 177.221 174.324 2.897 25933 1185 1 3 . 1 1 30 30 TYR CA C 30 56.989 56.989 56.224 0.765 25933 1186 1 3 . 1 1 30 30 TYR CB C 30 45.110 45.110 42.461 2.649 25933 1187 1 3 . 1 1 30 30 TYR H H 30 8.792 8.792 8.371 0.421 25933 1188 1 3 . 1 1 31 31 HIS N N 31 121.470 121.470 118.866 2.604 25933 1189 1 3 . 1 1 31 31 HIS HA H 31 4.890 4.890 5.180 -0.290 25933 1190 1 3 . 1 1 31 31 HIS C C 31 177.595 177.595 176.206 1.389 25933 1191 1 3 . 1 1 31 31 HIS CA C 31 58.141 58.141 55.112 3.029 25933 1192 1 3 . 1 1 31 31 HIS CB C 31 30.737 30.737 31.051 -0.314 25933 1193 1 3 . 1 1 31 31 HIS H H 31 9.164 9.164 8.248 0.916 25933 1194 1 3 . 1 1 32 32 ALA N N 32 129.786 129.786 127.181 2.605 25933 1195 1 3 . 1 1 32 32 ALA HA H 32 3.829 3.829 3.895 -0.066 25933 1196 1 3 . 1 1 32 32 ALA C C 32 180.494 180.494 178.064 2.430 25933 1197 1 3 . 1 1 32 32 ALA CA C 32 56.044 56.044 55.633 0.411 25933 1198 1 3 . 1 1 32 32 ALA CB C 32 17.179 17.179 18.928 -1.749 25933 1199 1 3 . 1 1 32 32 ALA H H 32 9.768 9.768 8.638 1.130 25933 1200 1 3 . 1 1 33 33 ASP N N 33 114.332 114.332 118.225 -3.893 25933 1201 1 3 . 1 1 33 33 ASP HA H 33 4.521 4.521 4.332 0.189 25933 1202 1 3 . 1 1 33 33 ASP C C 33 179.006 179.006 178.477 0.529 25933 1203 1 3 . 1 1 33 33 ASP CA C 33 56.541 56.541 57.787 -1.246 25933 1204 1 3 . 1 1 33 33 ASP CB C 33 40.316 40.316 40.757 -0.441 25933 1205 1 3 . 1 1 33 33 ASP H H 33 8.832 8.832 8.653 0.179 25933 1206 1 3 . 1 1 34 34 CYS N N 34 119.035 119.035 114.473 4.562 25933 1207 1 3 . 1 1 34 34 CYS HA H 34 4.224 4.224 4.426 -0.202 25933 1208 1 3 . 1 1 34 34 CYS C C 34 175.978 175.978 176.259 -0.281 25933 1209 1 3 . 1 1 34 34 CYS CA C 34 63.491 63.491 58.889 4.602 25933 1210 1 3 . 1 1 34 34 CYS CB C 34 28.925 28.925 26.336 2.589 25933 1211 1 3 . 1 1 34 34 CYS H H 34 7.364 7.364 8.485 -1.121 25933 1212 1 3 . 1 1 35 35 LEU N N 35 118.363 118.363 120.115 -1.752 25933 1213 1 3 . 1 1 35 35 LEU HA H 35 4.404 4.404 4.349 0.055 25933 1214 1 3 . 1 1 35 35 LEU C C 35 176.327 176.327 176.203 0.124 25933 1215 1 3 . 1 1 35 35 LEU CA C 35 53.966 53.966 54.738 -0.772 25933 1216 1 3 . 1 1 35 35 LEU CB C 35 42.982 42.982 42.147 0.835 25933 1217 1 3 . 1 1 35 35 LEU H H 35 7.135 7.135 7.487 -0.352 25933 1218 1 3 . 1 1 36 36 ASN N N 36 116.501 116.501 114.237 2.264 25933 1219 1 3 . 1 1 36 36 ASN HA H 36 4.461 4.461 4.425 0.036 25933 1220 1 3 . 1 1 36 36 ASN C C 36 175.075 175.075 174.586 0.489 25933 1221 1 3 . 1 1 36 36 ASN CA C 36 54.055 54.055 54.147 -0.092 25933 1222 1 3 . 1 1 36 36 ASN CB C 36 37.552 37.552 36.098 1.454 25933 1223 1 3 . 1 1 36 36 ASN H H 36 7.974 7.974 7.825 0.149 25933 1224 1 3 . 1 1 37 37 LEU N N 37 119.139 119.139 119.978 -0.839 25933 1225 1 3 . 1 1 37 37 LEU HA H 37 4.472 4.472 4.279 0.193 25933 1226 1 3 . 1 1 37 37 LEU C C 37 178.114 178.114 176.858 1.256 25933 1227 1 3 . 1 1 37 37 LEU CA C 37 54.421 54.421 55.433 -1.012 25933 1228 1 3 . 1 1 37 37 LEU CB C 37 42.937 42.937 40.096 2.841 25933 1229 1 3 . 1 1 37 37 LEU H H 37 7.953 7.953 8.253 -0.300 25933 1230 1 3 . 1 1 38 38 THR N N 38 113.698 113.698 118.010 -4.312 25933 1231 1 3 . 1 1 38 38 THR HA H 38 4.224 4.224 4.181 0.043 25933 1232 1 3 . 1 1 38 38 THR C C 38 174.325 174.325 174.807 -0.482 25933 1233 1 3 . 1 1 38 38 THR CA C 38 62.608 62.608 63.849 -1.241 25933 1234 1 3 . 1 1 38 38 THR CB C 38 69.163 69.163 69.180 -0.017 25933 1235 1 3 . 1 1 38 38 THR H H 38 8.465 8.465 8.022 0.443 25933 1236 1 3 . 1 1 39 39 LYS N N 39 120.070 120.070 122.138 -2.068 25933 1237 1 3 . 1 1 39 39 LYS HA H 39 4.383 4.383 4.318 0.065 25933 1238 1 3 . 1 1 39 39 LYS C C 39 175.570 175.570 175.500 0.070 25933 1239 1 3 . 1 1 39 39 LYS CA C 39 54.864 54.864 55.481 -0.617 25933 1240 1 3 . 1 1 39 39 LYS CB C 39 34.079 34.079 33.873 0.206 25933 1241 1 3 . 1 1 39 39 LYS H H 39 7.595 7.595 7.894 -0.299 25933 1242 1 3 . 1 1 40 40 ARG N N 40 123.383 123.383 125.730 -2.347 25933 1243 1 3 . 1 1 40 40 ARG HA H 40 4.163 4.163 4.385 -0.222 25933 1244 1 3 . 1 1 40 40 ARG CA C 40 54.474 54.474 54.517 -0.043 25933 1245 1 3 . 1 1 40 40 ARG CB C 40 29.745 29.745 29.916 -0.171 25933 1246 1 3 . 1 1 40 40 ARG H H 40 8.372 8.372 8.417 -0.045 25933 1247 1 3 . 1 1 41 41 PRO HA H 41 4.081 4.081 4.453 -0.372 25933 1248 1 3 . 1 1 41 41 PRO C C 41 176.215 176.215 175.593 0.622 25933 1249 1 3 . 1 1 41 41 PRO CA C 41 63.151 63.151 62.661 0.490 25933 1250 1 3 . 1 1 41 41 PRO CB C 41 32.154 32.154 32.073 0.081 25933 1251 1 3 . 1 1 42 42 ALA N N 42 126.233 126.233 125.062 1.171 25933 1252 1 3 . 1 1 42 42 ALA HA H 42 4.447 4.447 4.538 -0.091 25933 1253 1 3 . 1 1 42 42 ALA C C 42 177.947 177.947 177.228 0.719 25933 1254 1 3 . 1 1 42 42 ALA CA C 42 51.741 51.741 51.436 0.305 25933 1255 1 3 . 1 1 42 42 ALA CB C 42 20.295 20.295 20.988 -0.693 25933 1256 1 3 . 1 1 42 42 ALA H H 42 8.368 8.368 8.069 0.299 25933 1257 1 3 . 1 1 43 43 GLY N N 43 108.071 108.071 110.961 -2.890 25933 1258 1 3 . 1 1 43 43 GLY C C 43 174.630 174.630 173.827 0.803 25933 1259 1 3 . 1 1 43 43 GLY CA C 43 45.871 45.871 45.227 0.644 25933 1260 1 3 . 1 1 43 43 GLY H H 43 8.499 8.499 8.379 0.120 25933 1261 1 3 . 1 1 44 44 LYS N N 44 123.859 123.859 125.343 -1.484 25933 1262 1 3 . 1 1 44 44 LYS HA H 44 4.325 4.325 4.465 -0.140 25933 1263 1 3 . 1 1 44 44 LYS CA C 44 56.012 56.012 55.569 0.444 25933 1264 1 3 . 1 1 44 44 LYS CB C 44 31.307 31.307 32.941 -1.634 25933 1265 1 3 . 1 1 44 44 LYS H H 44 8.485 8.485 8.412 0.073 25933 1266 1 3 . 1 1 45 45 TRP N N 45 124.364 124.364 128.828 -4.464 25933 1267 1 3 . 1 1 45 45 TRP HA H 45 4.317 4.317 4.869 -0.552 25933 1268 1 3 . 1 1 45 45 TRP CA C 45 58.972 58.972 56.275 2.697 25933 1269 1 3 . 1 1 45 45 TRP CB C 45 29.468 29.468 31.638 -2.170 25933 1270 1 3 . 1 1 45 45 TRP H H 45 7.419 7.419 8.529 -1.110 25933 1271 1 3 . 1 1 46 46 GLU N N 46 124.890 124.890 127.994 -3.104 25933 1272 1 3 . 1 1 46 46 GLU HA H 46 4.623 4.623 4.381 0.242 25933 1273 1 3 . 1 1 46 46 GLU CA C 46 53.864 53.864 54.504 -0.640 25933 1274 1 3 . 1 1 46 46 GLU H H 46 7.623 7.623 8.308 -0.685 25933 1275 1 3 . 1 1 47 47 CYS N N 47 130.384 130.384 122.695 7.689 25933 1276 1 3 . 1 1 47 47 CYS HA H 47 4.623 4.623 3.469 1.154 25933 1277 1 3 . 1 1 47 47 CYS H H 47 9.574 9.574 7.801 1.773 25933 1278 1 3 . 1 1 48 48 PRO HA H 48 4.704 4.704 4.241 0.463 25933 1279 1 3 . 1 1 48 48 PRO C C 48 177.973 177.973 177.597 0.376 25933 1280 1 3 . 1 1 48 48 PRO CA C 48 64.380 64.380 64.370 0.010 25933 1281 1 3 . 1 1 48 48 PRO CB C 48 31.545 31.545 31.492 0.052 25933 1282 1 3 . 1 1 49 49 TRP N N 49 124.314 124.314 119.902 4.412 25933 1283 1 3 . 1 1 49 49 TRP HA H 49 5.248 5.248 4.491 0.757 25933 1284 1 3 . 1 1 49 49 TRP C C 49 179.054 179.054 175.003 4.051 25933 1285 1 3 . 1 1 49 49 TRP CA C 49 56.304 56.304 57.529 -1.225 25933 1286 1 3 . 1 1 49 49 TRP CB C 49 31.375 31.375 28.191 3.184 25933 1287 1 3 . 1 1 49 49 TRP H H 49 8.504 8.504 7.804 0.700 25933 1288 1 3 . 1 1 50 50 HIS N N 50 110.531 110.531 112.895 -2.364 25933 1289 1 3 . 1 1 50 50 HIS HA H 50 4.479 4.479 4.407 0.072 25933 1290 1 3 . 1 1 50 50 HIS C C 50 175.070 175.070 174.644 0.426 25933 1291 1 3 . 1 1 50 50 HIS CA C 50 56.068 56.068 54.849 1.219 25933 1292 1 3 . 1 1 50 50 HIS CB C 50 28.267 28.267 30.290 -2.023 25933 1293 1 3 . 1 1 50 50 HIS H H 50 7.178 7.178 7.450 -0.272 25933 1294 1 3 . 1 1 51 51 GLN N N 51 118.176 118.176 118.497 -0.321 25933 1295 1 3 . 1 1 51 51 GLN HA H 51 4.638 4.638 5.013 -0.375 25933 1296 1 3 . 1 1 51 51 GLN C C 51 172.785 172.785 174.915 -2.130 25933 1297 1 3 . 1 1 51 51 GLN CA C 51 54.266 54.266 53.678 0.588 25933 1298 1 3 . 1 1 51 51 GLN CB C 51 30.779 30.779 31.153 -0.374 25933 1299 1 3 . 1 1 51 51 GLN H H 51 7.243 7.243 7.601 -0.358 25933 1300 1 3 . 1 1 52 52 CYS N N 52 123.532 123.532 126.051 -2.519 25933 1301 1 3 . 1 1 52 52 CYS HA H 52 4.049 4.049 4.506 -0.457 25933 1302 1 3 . 1 1 52 52 CYS C C 52 177.807 177.807 176.275 1.532 25933 1303 1 3 . 1 1 52 52 CYS CA C 52 58.257 58.257 59.512 -1.255 25933 1304 1 3 . 1 1 52 52 CYS CB C 52 31.165 31.165 27.503 3.662 25933 1305 1 3 . 1 1 52 52 CYS H H 52 9.344 9.344 9.204 0.140 25933 1306 1 3 . 1 1 53 53 ASP N N 53 134.328 134.328 128.646 5.682 25933 1307 1 3 . 1 1 53 53 ASP HA H 53 4.190 4.190 4.468 -0.278 25933 1308 1 3 . 1 1 53 53 ASP C C 53 176.732 176.732 176.382 0.350 25933 1309 1 3 . 1 1 53 53 ASP CA C 53 57.384 57.384 56.277 1.107 25933 1310 1 3 . 1 1 53 53 ASP CB C 53 41.122 41.122 40.806 0.316 25933 1311 1 3 . 1 1 53 53 ASP H H 53 9.185 9.185 8.905 0.280 25933 1312 1 3 . 1 1 54 54 VAL N N 54 119.653 119.653 119.483 0.170 25933 1313 1 3 . 1 1 54 54 VAL HA H 54 3.877 3.877 4.031 -0.154 25933 1314 1 3 . 1 1 54 54 VAL C C 54 177.243 177.243 176.888 0.355 25933 1315 1 3 . 1 1 54 54 VAL CA C 54 65.092 65.092 64.437 0.655 25933 1316 1 3 . 1 1 54 54 VAL CB C 54 33.012 33.012 32.585 0.427 25933 1317 1 3 . 1 1 54 54 VAL H H 54 8.796 8.796 7.934 0.862 25933 1318 1 3 . 1 1 55 55 CYS N N 55 115.992 115.992 114.223 1.769 25933 1319 1 3 . 1 1 55 55 CYS HA H 55 5.112 5.112 5.024 0.088 25933 1320 1 3 . 1 1 55 55 CYS C C 55 176.818 176.818 176.189 0.629 25933 1321 1 3 . 1 1 55 55 CYS CA C 55 58.337 58.337 57.522 0.815 25933 1322 1 3 . 1 1 55 55 CYS CB C 55 34.324 34.324 30.256 4.069 25933 1323 1 3 . 1 1 55 55 CYS H H 55 7.604 7.604 7.979 -0.375 25933 1324 1 3 . 1 1 56 56 GLY N N 56 114.227 114.227 110.823 3.404 25933 1325 1 3 . 1 1 56 56 GLY C C 56 173.824 173.824 174.511 -0.687 25933 1326 1 3 . 1 1 56 56 GLY CA C 56 46.409 46.409 45.826 0.583 25933 1327 1 3 . 1 1 56 56 GLY H H 56 8.548 8.548 8.561 -0.013 25933 1328 1 3 . 1 1 57 57 LYS N N 57 122.126 122.126 120.596 1.530 25933 1329 1 3 . 1 1 57 57 LYS HA H 57 4.412 4.412 4.375 0.037 25933 1330 1 3 . 1 1 57 57 LYS C C 57 175.055 175.055 176.022 -0.967 25933 1331 1 3 . 1 1 57 57 LYS CA C 57 56.717 56.717 55.851 0.866 25933 1332 1 3 . 1 1 57 57 LYS CB C 57 33.143 33.143 33.512 -0.369 25933 1333 1 3 . 1 1 57 57 LYS H H 57 8.314 8.314 7.504 0.810 25933 1334 1 3 . 1 1 58 58 GLU N N 58 120.782 120.782 118.352 2.430 25933 1335 1 3 . 1 1 58 58 GLU HA H 58 4.153 4.153 4.517 -0.364 25933 1336 1 3 . 1 1 58 58 GLU C C 58 176.662 176.662 176.077 0.585 25933 1337 1 3 . 1 1 58 58 GLU CA C 58 57.913 57.913 56.783 1.129 25933 1338 1 3 . 1 1 58 58 GLU CB C 58 29.825 29.825 29.953 -0.128 25933 1339 1 3 . 1 1 58 58 GLU H H 58 8.502 8.502 8.520 -0.018 25933 1340 1 3 . 1 1 59 59 ALA N N 59 127.052 127.052 126.121 0.931 25933 1341 1 3 . 1 1 59 59 ALA HA H 59 3.402 3.402 4.563 -1.161 25933 1342 1 3 . 1 1 59 59 ALA C C 59 175.529 175.529 176.123 -0.594 25933 1343 1 3 . 1 1 59 59 ALA CA C 59 52.238 52.238 51.294 0.944 25933 1344 1 3 . 1 1 59 59 ALA CB C 59 19.006 19.006 19.948 -0.942 25933 1345 1 3 . 1 1 59 59 ALA H H 59 7.812 7.812 8.653 -0.841 25933 1346 1 3 . 1 1 60 60 ALA N N 60 122.703 122.703 124.967 -2.264 25933 1347 1 3 . 1 1 60 60 ALA HA H 60 4.473 4.473 4.389 0.084 25933 1348 1 3 . 1 1 60 60 ALA C C 60 176.087 176.087 176.838 -0.751 25933 1349 1 3 . 1 1 60 60 ALA CA C 60 51.930 51.930 52.316 -0.386 25933 1350 1 3 . 1 1 60 60 ALA CB C 60 23.146 23.146 20.604 2.542 25933 1351 1 3 . 1 1 60 60 ALA H H 60 8.356 8.356 8.477 -0.121 25933 1352 1 3 . 1 1 61 61 SER N N 61 114.279 114.279 114.198 0.081 25933 1353 1 3 . 1 1 61 61 SER HA H 61 4.637 4.637 4.205 0.432 25933 1354 1 3 . 1 1 61 61 SER C C 61 171.865 171.865 172.776 -0.911 25933 1355 1 3 . 1 1 61 61 SER CA C 61 58.060 58.060 56.936 1.124 25933 1356 1 3 . 1 1 61 61 SER CB C 61 66.719 66.719 65.139 1.580 25933 1357 1 3 . 1 1 61 61 SER H H 61 7.427 7.427 7.692 -0.265 25933 1358 1 3 . 1 1 62 62 PHE N N 62 123.075 123.075 120.612 2.463 25933 1359 1 3 . 1 1 62 62 PHE HA H 62 4.342 4.342 4.530 -0.188 25933 1360 1 3 . 1 1 62 62 PHE C C 62 174.547 174.547 175.217 -0.670 25933 1361 1 3 . 1 1 62 62 PHE CA C 62 57.701 57.701 55.828 1.873 25933 1362 1 3 . 1 1 62 62 PHE CB C 62 41.207 41.207 40.816 0.391 25933 1363 1 3 . 1 1 62 62 PHE H H 62 8.193 8.193 7.718 0.475 25933 1364 1 3 . 1 1 63 63 CYS N N 63 126.326 126.326 124.690 1.636 25933 1365 1 3 . 1 1 63 63 CYS HA H 63 4.297 4.297 4.516 -0.219 25933 1366 1 3 . 1 1 63 63 CYS C C 63 176.289 176.289 176.244 0.045 25933 1367 1 3 . 1 1 63 63 CYS CA C 63 61.098 61.098 59.122 1.976 25933 1368 1 3 . 1 1 63 63 CYS CB C 63 29.621 29.621 28.282 1.339 25933 1369 1 3 . 1 1 63 63 CYS H H 63 9.106 9.106 8.777 0.329 25933 1370 1 3 . 1 1 64 64 GLU N N 64 124.601 124.601 129.588 -4.987 25933 1371 1 3 . 1 1 64 64 GLU HA H 64 4.887 4.887 4.824 0.063 25933 1372 1 3 . 1 1 64 64 GLU C C 64 177.682 177.682 176.394 1.288 25933 1373 1 3 . 1 1 64 64 GLU CA C 64 58.619 58.619 56.710 1.909 25933 1374 1 3 . 1 1 64 64 GLU CB C 64 30.567 30.567 29.585 0.982 25933 1375 1 3 . 1 1 64 64 GLU H H 64 8.911 8.911 9.158 -0.246 25933 1376 1 3 . 1 1 65 65 MET N N 65 121.669 121.669 115.950 5.719 25933 1377 1 3 . 1 1 65 65 MET HA H 65 4.536 4.536 4.899 -0.363 25933 1378 1 3 . 1 1 65 65 MET C C 65 173.906 173.906 175.048 -1.142 25933 1379 1 3 . 1 1 65 65 MET CA C 65 56.157 56.157 55.070 1.087 25933 1380 1 3 . 1 1 65 65 MET CB C 65 33.770 33.770 35.235 -1.465 25933 1381 1 3 . 1 1 65 65 MET H H 65 9.972 9.972 7.827 2.145 25933 1382 1 3 . 1 1 66 66 CYS N N 66 127.827 127.827 114.718 13.109 25933 1383 1 3 . 1 1 66 66 CYS HA H 66 3.424 3.424 4.861 -1.437 25933 1384 1 3 . 1 1 66 66 CYS CA C 66 57.581 57.581 57.355 0.226 25933 1385 1 3 . 1 1 66 66 CYS CB C 66 29.900 29.900 28.082 1.818 25933 1386 1 3 . 1 1 66 66 CYS H H 66 8.286 8.286 7.825 0.461 25933 1387 1 3 . 1 1 67 67 PRO HA H 67 4.660 4.660 4.334 0.326 25933 1388 1 3 . 1 1 67 67 PRO C C 67 176.387 176.387 175.860 0.527 25933 1389 1 3 . 1 1 67 67 PRO CA C 67 64.462 64.462 63.219 1.243 25933 1390 1 3 . 1 1 67 67 PRO CB C 67 31.018 31.018 31.233 -0.215 25933 1391 1 3 . 1 1 68 68 SER N N 68 122.983 122.983 117.871 5.112 25933 1392 1 3 . 1 1 68 68 SER HA H 68 5.148 5.148 4.457 0.691 25933 1393 1 3 . 1 1 68 68 SER C C 68 173.421 173.421 173.396 0.025 25933 1394 1 3 . 1 1 68 68 SER CA C 68 59.799 59.799 57.915 1.884 25933 1395 1 3 . 1 1 68 68 SER CB C 68 64.047 64.047 63.390 0.657 25933 1396 1 3 . 1 1 68 68 SER H H 68 8.864 8.864 7.712 1.152 25933 1397 1 3 . 1 1 69 69 SER N N 69 115.147 115.147 120.844 -5.697 25933 1398 1 3 . 1 1 69 69 SER HA H 69 4.443 4.443 4.665 -0.222 25933 1399 1 3 . 1 1 69 69 SER C C 69 171.436 171.436 172.508 -1.072 25933 1400 1 3 . 1 1 69 69 SER CA C 69 56.585 56.585 56.777 -0.192 25933 1401 1 3 . 1 1 69 69 SER CB C 69 63.959 63.959 65.625 -1.666 25933 1402 1 3 . 1 1 69 69 SER H H 69 7.874 7.874 7.954 -0.080 25933 1403 1 3 . 1 1 70 70 PHE N N 70 112.477 112.477 116.617 -4.140 25933 1404 1 3 . 1 1 70 70 PHE HA H 70 6.052 6.052 5.063 0.989 25933 1405 1 3 . 1 1 70 70 PHE C C 70 176.905 176.905 175.941 0.964 25933 1406 1 3 . 1 1 70 70 PHE CA C 70 57.026 57.026 56.867 0.159 25933 1407 1 3 . 1 1 70 70 PHE CB C 70 45.774 45.774 43.502 2.272 25933 1408 1 3 . 1 1 70 70 PHE H H 70 8.192 8.192 8.598 -0.406 25933 1409 1 3 . 1 1 71 71 CYS N N 71 121.843 121.843 119.277 2.566 25933 1410 1 3 . 1 1 71 71 CYS HA H 71 4.806 4.806 5.017 -0.211 25933 1411 1 3 . 1 1 71 71 CYS C C 71 174.332 174.332 176.056 -1.724 25933 1412 1 3 . 1 1 71 71 CYS CA C 71 58.618 58.618 56.856 1.762 25933 1413 1 3 . 1 1 71 71 CYS CB C 71 30.249 30.249 30.140 0.109 25933 1414 1 3 . 1 1 71 71 CYS H H 71 9.511 9.511 8.685 0.826 25933 1415 1 3 . 1 1 72 72 LYS N N 72 118.091 118.091 119.740 -1.649 25933 1416 1 3 . 1 1 72 72 LYS HA H 72 3.679 3.679 3.876 -0.197 25933 1417 1 3 . 1 1 72 72 LYS C C 72 177.831 177.831 179.250 -1.419 25933 1418 1 3 . 1 1 72 72 LYS CA C 72 60.445 60.445 60.103 0.342 25933 1419 1 3 . 1 1 72 72 LYS CB C 72 32.277 32.277 32.083 0.195 25933 1420 1 3 . 1 1 72 72 LYS H H 72 8.804 8.804 8.699 0.105 25933 1421 1 3 . 1 1 73 73 GLN N N 73 118.381 118.381 117.366 1.015 25933 1422 1 3 . 1 1 73 73 GLN HA H 73 4.078 4.078 4.076 0.002 25933 1423 1 3 . 1 1 73 73 GLN C C 73 177.491 177.491 178.164 -0.673 25933 1424 1 3 . 1 1 73 73 GLN CA C 73 57.894 57.894 58.318 -0.424 25933 1425 1 3 . 1 1 73 73 GLN CB C 73 28.754 28.754 29.048 -0.294 25933 1426 1 3 . 1 1 73 73 GLN H H 73 8.139 8.139 7.731 0.408 25933 1427 1 3 . 1 1 74 74 HIS N N 74 117.140 117.140 115.410 1.730 25933 1428 1 3 . 1 1 74 74 HIS HA H 74 5.015 5.015 4.569 0.446 25933 1429 1 3 . 1 1 74 74 HIS C C 74 174.206 174.206 175.631 -1.425 25933 1430 1 3 . 1 1 74 74 HIS CA C 74 57.692 57.692 56.260 1.432 25933 1431 1 3 . 1 1 74 74 HIS CB C 74 32.739 32.739 29.919 2.820 25933 1432 1 3 . 1 1 74 74 HIS H H 74 7.628 7.628 7.420 0.208 25933 1433 1 3 . 1 1 75 75 ARG N N 75 115.977 115.977 116.907 -0.930 25933 1434 1 3 . 1 1 75 75 ARG HA H 75 3.699 3.699 4.212 -0.513 25933 1435 1 3 . 1 1 75 75 ARG C C 75 176.493 176.493 175.776 0.717 25933 1436 1 3 . 1 1 75 75 ARG CA C 75 57.925 57.925 57.271 0.654 25933 1437 1 3 . 1 1 75 75 ARG CB C 75 30.179 30.179 31.099 -0.920 25933 1438 1 3 . 1 1 75 75 ARG H H 75 7.415 7.415 7.613 -0.198 25933 1439 1 3 . 1 1 76 76 GLU N N 76 123.649 123.649 121.649 2.000 25933 1440 1 3 . 1 1 76 76 GLU HA H 76 3.955 3.955 4.152 -0.197 25933 1441 1 3 . 1 1 76 76 GLU C C 76 177.401 177.401 177.205 0.196 25933 1442 1 3 . 1 1 76 76 GLU CA C 76 58.208 58.208 57.465 0.743 25933 1443 1 3 . 1 1 76 76 GLU CB C 76 28.668 28.668 29.497 -0.829 25933 1444 1 3 . 1 1 76 76 GLU H H 76 8.094 8.094 7.390 0.704 25933 1445 1 3 . 1 1 77 77 GLY N N 77 114.787 114.787 114.234 0.553 25933 1446 1 3 . 1 1 77 77 GLY C C 77 174.193 174.193 175.162 -0.969 25933 1447 1 3 . 1 1 77 77 GLY CA C 77 45.502 45.502 46.190 -0.688 25933 1448 1 3 . 1 1 77 77 GLY H H 77 8.831 8.831 9.087 -0.256 25933 1449 1 3 . 1 1 78 78 MET N N 78 115.494 115.494 117.455 -1.961 25933 1450 1 3 . 1 1 78 78 MET HA H 78 4.608 4.608 4.612 -0.004 25933 1451 1 3 . 1 1 78 78 MET C C 78 175.808 175.808 174.834 0.974 25933 1452 1 3 . 1 1 78 78 MET CA C 78 53.865 53.865 54.747 -0.882 25933 1453 1 3 . 1 1 78 78 MET CB C 78 33.146 33.146 34.272 -1.126 25933 1454 1 3 . 1 1 78 78 MET H H 78 7.320 7.320 7.606 -0.286 25933 1455 1 3 . 1 1 79 79 LEU N N 79 116.112 116.112 120.362 -4.250 25933 1456 1 3 . 1 1 79 79 LEU HA H 79 5.083 5.083 4.632 0.451 25933 1457 1 3 . 1 1 79 79 LEU C C 79 175.580 175.580 174.765 0.815 25933 1458 1 3 . 1 1 79 79 LEU CA C 79 52.710 52.710 53.781 -1.071 25933 1459 1 3 . 1 1 79 79 LEU CB C 79 46.268 46.268 44.965 1.303 25933 1460 1 3 . 1 1 79 79 LEU H H 79 6.783 6.783 7.706 -0.923 25933 1461 1 3 . 1 1 80 80 PHE N N 80 121.484 121.484 120.727 0.757 25933 1462 1 3 . 1 1 80 80 PHE HA H 80 4.773 4.773 4.933 -0.160 25933 1463 1 3 . 1 1 80 80 PHE C C 80 174.354 174.354 173.610 0.744 25933 1464 1 3 . 1 1 80 80 PHE CA C 80 56.225 56.225 55.579 0.646 25933 1465 1 3 . 1 1 80 80 PHE CB C 80 42.377 42.377 41.281 1.096 25933 1466 1 3 . 1 1 80 80 PHE H H 80 9.296 9.296 8.155 1.141 25933 1467 1 3 . 1 1 81 81 ILE N N 81 123.854 123.854 120.914 2.940 25933 1468 1 3 . 1 1 81 81 ILE HA H 81 4.088 4.088 4.600 -0.512 25933 1469 1 3 . 1 1 81 81 ILE C C 81 176.829 176.829 176.231 0.598 25933 1470 1 3 . 1 1 81 81 ILE CA C 81 60.636 60.636 60.528 0.108 25933 1471 1 3 . 1 1 81 81 ILE CB C 81 37.486 37.486 37.904 -0.418 25933 1472 1 3 . 1 1 81 81 ILE H H 81 8.798 8.798 8.478 0.320 25933 1473 1 3 . 1 1 82 82 SER N N 82 124.730 124.730 122.066 2.664 25933 1474 1 3 . 1 1 82 82 SER HA H 82 4.530 4.530 4.681 -0.151 25933 1475 1 3 . 1 1 82 82 SER C C 82 177.460 177.460 175.150 2.310 25933 1476 1 3 . 1 1 82 82 SER CA C 82 58.180 58.180 57.767 0.413 25933 1477 1 3 . 1 1 82 82 SER CB C 82 64.054 64.054 64.121 -0.067 25933 1478 1 3 . 1 1 82 82 SER H H 82 8.898 8.898 9.181 -0.283 25933 1479 1 3 . 1 1 83 83 LYS N N 83 129.518 129.518 128.207 1.311 25933 1480 1 3 . 1 1 83 83 LYS HA H 83 4.198 4.198 4.210 -0.012 25933 1481 1 3 . 1 1 83 83 LYS C C 83 177.173 177.173 177.120 0.053 25933 1482 1 3 . 1 1 83 83 LYS CA C 83 57.848 57.848 58.382 -0.534 25933 1483 1 3 . 1 1 83 83 LYS CB C 83 32.376 32.376 32.263 0.113 25933 1484 1 3 . 1 1 83 83 LYS H H 83 9.269 9.269 8.923 0.346 25933 1485 1 3 . 1 1 84 84 LEU N N 84 120.539 120.539 119.939 0.600 25933 1486 1 3 . 1 1 84 84 LEU HA H 84 4.284 4.284 4.158 0.126 25933 1487 1 3 . 1 1 84 84 LEU C C 84 178.443 178.443 178.253 0.190 25933 1488 1 3 . 1 1 84 84 LEU CA C 84 56.827 56.827 57.223 -0.396 25933 1489 1 3 . 1 1 84 84 LEU CB C 84 41.901 41.901 42.426 -0.525 25933 1490 1 3 . 1 1 84 84 LEU H H 84 8.364 8.364 7.736 0.628 25933 1491 1 3 . 1 1 85 85 ASP N N 85 114.333 114.333 114.833 -0.500 25933 1492 1 3 . 1 1 85 85 ASP HA H 85 4.737 4.737 4.805 -0.068 25933 1493 1 3 . 1 1 85 85 ASP C C 85 177.413 177.413 177.061 0.352 25933 1494 1 3 . 1 1 85 85 ASP CA C 85 53.056 53.056 53.890 -0.834 25933 1495 1 3 . 1 1 85 85 ASP CB C 85 42.065 42.065 43.169 -1.104 25933 1496 1 3 . 1 1 85 85 ASP H H 85 7.326 7.326 8.028 -0.702 25933 1497 1 3 . 1 1 86 86 GLY N N 86 108.607 108.607 109.425 -0.818 25933 1498 1 3 . 1 1 86 86 GLY C C 86 174.036 174.036 174.147 -0.111 25933 1499 1 3 . 1 1 86 86 GLY CA C 86 46.037 46.037 45.810 0.227 25933 1500 1 3 . 1 1 86 86 GLY H H 86 7.901 7.901 8.429 -0.528 25933 1501 1 3 . 1 1 87 87 ARG N N 87 120.598 120.598 119.049 1.549 25933 1502 1 3 . 1 1 87 87 ARG HA H 87 4.345 4.345 4.744 -0.399 25933 1503 1 3 . 1 1 87 87 ARG C C 87 175.968 175.968 176.325 -0.357 25933 1504 1 3 . 1 1 87 87 ARG CA C 87 56.810 56.810 54.742 2.068 25933 1505 1 3 . 1 1 87 87 ARG CB C 87 31.934 31.934 32.149 -0.215 25933 1506 1 3 . 1 1 87 87 ARG H H 87 7.948 7.948 7.650 0.298 25933 1507 1 3 . 1 1 88 88 LEU N N 88 126.752 126.752 123.989 2.763 25933 1508 1 3 . 1 1 88 88 LEU HA H 88 4.576 4.576 4.845 -0.269 25933 1509 1 3 . 1 1 88 88 LEU C C 88 176.060 176.060 176.255 -0.195 25933 1510 1 3 . 1 1 88 88 LEU CA C 88 55.558 55.558 55.358 0.200 25933 1511 1 3 . 1 1 88 88 LEU CB C 88 42.815 42.815 42.202 0.613 25933 1512 1 3 . 1 1 88 88 LEU H H 88 8.968 8.968 9.457 -0.489 25933 1513 1 3 . 1 1 89 89 SER N N 89 118.859 118.859 118.866 -0.007 25933 1514 1 3 . 1 1 89 89 SER HA H 89 6.146 6.146 5.131 1.015 25933 1515 1 3 . 1 1 89 89 SER C C 89 174.338 174.338 173.433 0.905 25933 1516 1 3 . 1 1 89 89 SER CA C 89 56.311 56.311 56.250 0.061 25933 1517 1 3 . 1 1 89 89 SER CB C 89 67.072 67.072 65.671 1.401 25933 1518 1 3 . 1 1 89 89 SER H H 89 9.083 9.083 9.003 0.080 25933 1519 1 3 . 1 1 90 90 CYS N N 90 128.907 128.907 123.582 5.325 25933 1520 1 3 . 1 1 90 90 CYS HA H 90 5.815 5.815 5.351 0.464 25933 1521 1 3 . 1 1 90 90 CYS C C 90 176.386 176.386 176.854 -0.468 25933 1522 1 3 . 1 1 90 90 CYS CA C 90 58.908 58.908 56.204 2.704 25933 1523 1 3 . 1 1 90 90 CYS CB C 90 29.444 29.444 29.997 -0.553 25933 1524 1 3 . 1 1 90 90 CYS H H 90 10.389 10.389 8.196 2.193 25933 1525 1 3 . 1 1 91 91 THR N N 91 108.692 108.692 111.974 -3.282 25933 1526 1 3 . 1 1 91 91 THR HA H 91 4.398 4.398 4.433 -0.035 25933 1527 1 3 . 1 1 91 91 THR C C 91 175.912 175.912 175.158 0.754 25933 1528 1 3 . 1 1 91 91 THR CA C 91 63.576 63.576 63.391 0.185 25933 1529 1 3 . 1 1 91 91 THR CB C 91 69.172 69.172 67.961 1.211 25933 1530 1 3 . 1 1 91 91 THR H H 91 8.435 8.435 8.347 0.088 25933 1531 1 3 . 1 1 92 92 GLU N N 92 123.418 123.418 119.432 3.986 25933 1532 1 3 . 1 1 92 92 GLU HA H 92 4.280 4.280 4.471 -0.191 25933 1533 1 3 . 1 1 92 92 GLU C C 92 175.937 175.937 176.090 -0.153 25933 1534 1 3 . 1 1 92 92 GLU CA C 92 56.582 56.582 56.103 0.479 25933 1535 1 3 . 1 1 92 92 GLU CB C 92 28.887 28.887 29.599 -0.712 25933 1536 1 3 . 1 1 92 92 GLU H H 92 8.626 8.626 7.469 1.157 25933 1537 1 3 . 1 1 93 93 HIS N N 93 117.178 117.178 117.660 -0.482 25933 1538 1 3 . 1 1 93 93 HIS HA H 93 4.789 4.789 4.865 -0.076 25933 1539 1 3 . 1 1 93 93 HIS C C 93 174.016 174.016 173.902 0.114 25933 1540 1 3 . 1 1 93 93 HIS CA C 93 54.275 54.275 54.520 -0.244 25933 1541 1 3 . 1 1 93 93 HIS CB C 93 29.373 29.373 29.424 -0.051 25933 1542 1 3 . 1 1 93 93 HIS H H 93 7.244 7.244 7.624 -0.380 25933 1543 1 4 . 1 1 2 2 ALA N N 2 124.503 124.503 123.688 0.815 25933 1544 1 4 . 1 1 2 2 ALA HA H 2 4.337 4.337 4.750 -0.413 25933 1545 1 4 . 1 1 2 2 ALA C C 2 177.688 177.688 176.016 1.672 25933 1546 1 4 . 1 1 2 2 ALA CA C 2 52.598 52.598 51.488 1.110 25933 1547 1 4 . 1 1 2 2 ALA CB C 2 19.375 19.375 18.149 1.226 25933 1548 1 4 . 1 1 2 2 ALA H H 2 8.639 8.639 8.401 0.238 25933 1549 1 4 . 1 1 3 3 MET N N 3 120.183 120.183 119.700 0.483 25933 1550 1 4 . 1 1 3 3 MET HA H 3 4.402 4.402 4.408 -0.006 25933 1551 1 4 . 1 1 3 3 MET C C 3 176.072 176.072 176.428 -0.356 25933 1552 1 4 . 1 1 3 3 MET CA C 3 55.636 55.636 56.552 -0.916 25933 1553 1 4 . 1 1 3 3 MET CB C 3 32.936 32.936 33.235 -0.299 25933 1554 1 4 . 1 1 3 3 MET H H 3 8.483 8.483 8.072 0.411 25933 1555 1 4 . 1 1 4 4 GLU N N 4 123.573 123.573 121.730 1.843 25933 1556 1 4 . 1 1 4 4 GLU HA H 4 4.255 4.255 4.292 -0.037 25933 1557 1 4 . 1 1 4 4 GLU C C 4 175.719 175.719 175.364 0.355 25933 1558 1 4 . 1 1 4 4 GLU CA C 4 56.516 56.516 56.203 0.313 25933 1559 1 4 . 1 1 4 4 GLU CB C 4 30.209 30.209 28.829 1.380 25933 1560 1 4 . 1 1 4 4 GLU H H 4 8.417 8.417 8.486 -0.069 25933 1561 1 4 . 1 1 5 5 ARG N N 5 121.879 121.879 124.614 -2.735 25933 1562 1 4 . 1 1 5 5 ARG HA H 5 4.327 4.327 4.628 -0.301 25933 1563 1 4 . 1 1 5 5 ARG C C 5 175.991 175.991 175.269 0.722 25933 1564 1 4 . 1 1 5 5 ARG CA C 5 55.879 55.879 55.136 0.743 25933 1565 1 4 . 1 1 5 5 ARG CB C 5 31.336 31.336 32.519 -1.183 25933 1566 1 4 . 1 1 5 5 ARG H H 5 8.099 8.099 8.265 -0.166 25933 1567 1 4 . 1 1 6 6 GLU N N 6 124.508 124.508 125.429 -0.921 25933 1568 1 4 . 1 1 6 6 GLU HA H 6 4.245 4.245 4.168 0.077 25933 1569 1 4 . 1 1 6 6 GLU C C 6 174.941 174.941 175.920 -0.979 25933 1570 1 4 . 1 1 6 6 GLU CA C 6 56.775 56.775 56.265 0.510 25933 1571 1 4 . 1 1 6 6 GLU CB C 6 30.421 30.421 30.171 0.251 25933 1572 1 4 . 1 1 6 6 GLU H H 6 8.560 8.560 8.508 0.052 25933 1573 1 4 . 1 1 7 7 ASP N N 7 117.067 117.067 127.128 -10.061 25933 1574 1 4 . 1 1 7 7 ASP HA H 7 4.520 4.520 4.501 0.019 25933 1575 1 4 . 1 1 7 7 ASP C C 7 174.744 174.744 174.923 -0.179 25933 1576 1 4 . 1 1 7 7 ASP CA C 7 53.697 53.697 54.790 -1.093 25933 1577 1 4 . 1 1 7 7 ASP CB C 7 42.222 42.222 40.550 1.672 25933 1578 1 4 . 1 1 7 7 ASP H H 7 8.237 8.237 8.539 -0.302 25933 1579 1 4 . 1 1 8 8 GLU N N 8 116.268 116.268 121.124 -4.856 25933 1580 1 4 . 1 1 8 8 GLU HA H 8 4.083 4.083 4.333 -0.250 25933 1581 1 4 . 1 1 8 8 GLU C C 8 173.257 173.257 174.128 -0.871 25933 1582 1 4 . 1 1 8 8 GLU CA C 8 54.382 54.382 55.486 -1.104 25933 1583 1 4 . 1 1 8 8 GLU CB C 8 32.438 32.438 32.686 -0.248 25933 1584 1 4 . 1 1 8 8 GLU H H 8 7.005 7.005 8.027 -1.022 25933 1585 1 4 . 1 1 9 9 CYS N N 9 124.211 124.211 123.343 0.868 25933 1586 1 4 . 1 1 9 9 CYS HA H 9 4.157 4.157 4.769 -0.612 25933 1587 1 4 . 1 1 9 9 CYS C C 9 178.384 178.384 175.926 2.458 25933 1588 1 4 . 1 1 9 9 CYS CA C 9 57.640 57.640 57.821 -0.181 25933 1589 1 4 . 1 1 9 9 CYS CB C 9 31.396 31.396 26.210 5.186 25933 1590 1 4 . 1 1 9 9 CYS H H 9 8.220 8.220 8.586 -0.366 25933 1591 1 4 . 1 1 10 10 PHE N N 10 131.759 131.759 128.326 3.433 25933 1592 1 4 . 1 1 10 10 PHE HA H 10 4.695 4.695 4.177 0.518 25933 1593 1 4 . 1 1 10 10 PHE C C 10 176.194 176.194 175.745 0.449 25933 1594 1 4 . 1 1 10 10 PHE CA C 10 55.935 55.935 60.668 -4.733 25933 1595 1 4 . 1 1 10 10 PHE CB C 10 38.279 38.279 39.628 -1.349 25933 1596 1 4 . 1 1 10 10 PHE H H 10 8.765 8.765 8.326 0.439 25933 1597 1 4 . 1 1 11 11 SER N N 11 114.027 114.027 114.638 -0.611 25933 1598 1 4 . 1 1 11 11 SER HA H 11 4.331 4.331 4.260 0.071 25933 1599 1 4 . 1 1 11 11 SER C C 11 175.836 175.836 174.796 1.040 25933 1600 1 4 . 1 1 11 11 SER CA C 11 61.956 61.956 60.786 1.170 25933 1601 1 4 . 1 1 11 11 SER CB C 11 63.774 63.774 63.750 0.024 25933 1602 1 4 . 1 1 11 11 SER H H 11 8.686 8.686 8.102 0.584 25933 1603 1 4 . 1 1 12 12 CYS N N 12 118.224 118.224 117.192 1.032 25933 1604 1 4 . 1 1 12 12 CYS HA H 12 5.121 5.121 4.750 0.371 25933 1605 1 4 . 1 1 12 12 CYS C C 12 176.817 176.817 175.859 0.958 25933 1606 1 4 . 1 1 12 12 CYS CA C 12 58.693 58.693 59.288 -0.595 25933 1607 1 4 . 1 1 12 12 CYS CB C 12 32.837 32.837 30.009 2.828 25933 1608 1 4 . 1 1 12 12 CYS H H 12 8.195 8.195 7.720 0.475 25933 1609 1 4 . 1 1 13 13 GLY N N 13 114.509 114.509 108.807 5.702 25933 1610 1 4 . 1 1 13 13 GLY C C 13 173.093 173.093 173.481 -0.388 25933 1611 1 4 . 1 1 13 13 GLY CA C 13 46.346 46.346 45.438 0.908 25933 1612 1 4 . 1 1 13 13 GLY H H 13 8.385 8.385 8.389 -0.004 25933 1613 1 4 . 1 1 14 14 ASP N N 14 122.123 122.123 120.053 2.070 25933 1614 1 4 . 1 1 14 14 ASP HA H 14 5.294 5.294 4.881 0.413 25933 1615 1 4 . 1 1 14 14 ASP C C 14 176.111 176.111 174.656 1.455 25933 1616 1 4 . 1 1 14 14 ASP CA C 14 53.304 53.304 53.460 -0.156 25933 1617 1 4 . 1 1 14 14 ASP CB C 14 43.175 43.175 44.354 -1.179 25933 1618 1 4 . 1 1 14 14 ASP H H 14 8.512 8.512 7.909 0.603 25933 1619 1 4 . 1 1 15 15 ALA N N 15 123.765 123.765 122.180 1.585 25933 1620 1 4 . 1 1 15 15 ALA HA H 15 4.679 4.679 4.532 0.147 25933 1621 1 4 . 1 1 15 15 ALA C C 15 177.375 177.375 176.878 0.497 25933 1622 1 4 . 1 1 15 15 ALA CA C 15 51.216 51.216 51.537 -0.321 25933 1623 1 4 . 1 1 15 15 ALA CB C 15 19.842 19.842 21.547 -1.705 25933 1624 1 4 . 1 1 15 15 ALA H H 15 8.538 8.538 8.419 0.119 25933 1625 1 4 . 1 1 16 16 GLY N N 16 108.898 108.898 108.536 0.362 25933 1626 1 4 . 1 1 16 16 GLY C C 16 172.132 172.132 173.236 -1.104 25933 1627 1 4 . 1 1 16 16 GLY CA C 16 45.320 45.320 45.114 0.207 25933 1628 1 4 . 1 1 16 16 GLY H H 16 8.304 8.304 8.315 -0.011 25933 1629 1 4 . 1 1 17 17 GLN N N 17 125.473 125.473 123.810 1.663 25933 1630 1 4 . 1 1 17 17 GLN HA H 17 4.359 4.359 4.453 -0.094 25933 1631 1 4 . 1 1 17 17 GLN C C 17 175.263 175.263 174.924 0.339 25933 1632 1 4 . 1 1 17 17 GLN CA C 17 55.779 55.779 55.519 0.260 25933 1633 1 4 . 1 1 17 17 GLN CB C 17 27.927 27.927 28.048 -0.121 25933 1634 1 4 . 1 1 17 17 GLN H H 17 8.887 8.887 8.479 0.408 25933 1635 1 4 . 1 1 18 18 LEU N N 18 127.246 127.246 124.804 2.442 25933 1636 1 4 . 1 1 18 18 LEU HA H 18 4.714 4.714 4.961 -0.247 25933 1637 1 4 . 1 1 18 18 LEU C C 18 177.078 177.078 176.416 0.662 25933 1638 1 4 . 1 1 18 18 LEU CA C 18 53.755 53.755 53.715 0.040 25933 1639 1 4 . 1 1 18 18 LEU CB C 18 44.191 44.191 43.926 0.265 25933 1640 1 4 . 1 1 18 18 LEU H H 18 8.322 8.322 7.920 0.402 25933 1641 1 4 . 1 1 19 19 VAL N N 19 121.280 121.280 121.906 -0.626 25933 1642 1 4 . 1 1 19 19 VAL HA H 19 4.547 4.547 4.412 0.135 25933 1643 1 4 . 1 1 19 19 VAL C C 19 175.238 175.238 174.057 1.181 25933 1644 1 4 . 1 1 19 19 VAL CA C 19 59.975 59.975 60.448 -0.473 25933 1645 1 4 . 1 1 19 19 VAL CB C 19 33.809 33.809 35.590 -1.781 25933 1646 1 4 . 1 1 19 19 VAL H H 19 9.789 9.789 9.164 0.625 25933 1647 1 4 . 1 1 20 20 SER N N 20 118.562 118.562 122.017 -3.455 25933 1648 1 4 . 1 1 20 20 SER HA H 20 5.062 5.062 4.646 0.416 25933 1649 1 4 . 1 1 20 20 SER C C 20 174.439 174.439 174.061 0.378 25933 1650 1 4 . 1 1 20 20 SER CA C 20 57.132 57.132 57.411 -0.279 25933 1651 1 4 . 1 1 20 20 SER CB C 20 64.811 64.811 64.467 0.344 25933 1652 1 4 . 1 1 20 20 SER H H 20 8.638 8.638 8.333 0.305 25933 1653 1 4 . 1 1 21 21 CYS N N 21 125.432 125.432 126.127 -0.695 25933 1654 1 4 . 1 1 21 21 CYS HA H 21 4.311 4.311 4.673 -0.362 25933 1655 1 4 . 1 1 21 21 CYS CA C 21 61.656 61.656 59.499 2.156 25933 1656 1 4 . 1 1 21 21 CYS CB C 21 31.029 31.029 26.725 4.304 25933 1657 1 4 . 1 1 21 21 CYS H H 21 8.132 8.132 8.412 -0.280 25933 1658 1 4 . 1 1 22 22 LYS N N 22 125.587 125.587 127.681 -2.094 25933 1659 1 4 . 1 1 22 22 LYS HA H 22 4.648 4.648 4.376 0.272 25933 1660 1 4 . 1 1 22 22 LYS C C 22 177.460 177.460 175.968 1.492 25933 1661 1 4 . 1 1 22 22 LYS H H 22 8.294 8.294 8.714 -0.420 25933 1662 1 4 . 1 1 23 23 LYS N N 23 130.703 130.703 121.264 9.439 25933 1663 1 4 . 1 1 23 23 LYS HA H 23 4.385 4.385 4.741 -0.356 25933 1664 1 4 . 1 1 23 23 LYS CA C 23 55.222 55.222 52.525 2.697 25933 1665 1 4 . 1 1 23 23 LYS CB C 23 33.949 33.949 33.460 0.489 25933 1666 1 4 . 1 1 23 23 LYS H H 23 9.496 9.496 7.676 1.820 25933 1667 1 4 . 1 1 24 24 PRO HA H 24 4.198 4.198 4.381 -0.183 25933 1668 1 4 . 1 1 24 24 PRO C C 24 177.835 177.835 177.719 0.116 25933 1669 1 4 . 1 1 24 24 PRO CA C 24 64.454 64.454 63.485 0.969 25933 1670 1 4 . 1 1 24 24 PRO CB C 24 31.420 31.420 31.561 -0.141 25933 1671 1 4 . 1 1 25 25 GLY N N 25 114.246 114.246 112.648 1.598 25933 1672 1 4 . 1 1 25 25 GLY C C 25 173.630 173.630 174.279 -0.649 25933 1673 1 4 . 1 1 25 25 GLY CA C 25 45.200 45.200 44.949 0.251 25933 1674 1 4 . 1 1 25 25 GLY H H 25 8.823 8.823 8.329 0.494 25933 1675 1 4 . 1 1 26 26 CYS N N 26 126.002 126.002 121.779 4.223 25933 1676 1 4 . 1 1 26 26 CYS HA H 26 5.014 5.014 4.979 0.035 25933 1677 1 4 . 1 1 26 26 CYS CA C 26 56.747 56.747 55.283 1.464 25933 1678 1 4 . 1 1 26 26 CYS CB C 26 32.711 32.711 27.808 4.903 25933 1679 1 4 . 1 1 26 26 CYS H H 26 8.076 8.076 7.836 0.240 25933 1680 1 4 . 1 1 27 27 PRO HA H 27 4.802 4.802 4.810 -0.008 25933 1681 1 4 . 1 1 27 27 PRO C C 27 175.970 175.970 175.573 0.397 25933 1682 1 4 . 1 1 27 27 PRO CA C 27 63.334 63.334 63.077 0.257 25933 1683 1 4 . 1 1 27 27 PRO CB C 27 32.920 32.920 31.864 1.056 25933 1684 1 4 . 1 1 28 28 LYS N N 28 121.413 121.413 120.176 1.237 25933 1685 1 4 . 1 1 28 28 LYS HA H 28 3.889 3.889 4.221 -0.332 25933 1686 1 4 . 1 1 28 28 LYS C C 28 175.961 175.961 174.722 1.239 25933 1687 1 4 . 1 1 28 28 LYS CA C 28 55.327 55.327 55.763 -0.436 25933 1688 1 4 . 1 1 28 28 LYS CB C 28 32.132 32.132 33.620 -1.488 25933 1689 1 4 . 1 1 28 28 LYS H H 28 8.353 8.353 7.417 0.936 25933 1690 1 4 . 1 1 29 29 VAL N N 29 115.183 115.183 121.651 -6.468 25933 1691 1 4 . 1 1 29 29 VAL HA H 29 5.286 5.286 4.270 1.016 25933 1692 1 4 . 1 1 29 29 VAL C C 29 174.480 174.480 173.978 0.502 25933 1693 1 4 . 1 1 29 29 VAL CA C 29 58.616 58.616 60.922 -2.305 25933 1694 1 4 . 1 1 29 29 VAL CB C 29 35.526 35.526 35.269 0.257 25933 1695 1 4 . 1 1 29 29 VAL H H 29 8.346 8.346 8.075 0.271 25933 1696 1 4 . 1 1 30 30 TYR N N 30 114.639 114.639 119.740 -5.101 25933 1697 1 4 . 1 1 30 30 TYR HA H 30 5.821 5.821 4.687 1.134 25933 1698 1 4 . 1 1 30 30 TYR C C 30 177.221 177.221 174.455 2.766 25933 1699 1 4 . 1 1 30 30 TYR CA C 30 56.989 56.989 56.387 0.602 25933 1700 1 4 . 1 1 30 30 TYR CB C 30 45.110 45.110 42.525 2.585 25933 1701 1 4 . 1 1 30 30 TYR H H 30 8.792 8.792 8.713 0.079 25933 1702 1 4 . 1 1 31 31 HIS N N 31 121.470 121.470 118.883 2.587 25933 1703 1 4 . 1 1 31 31 HIS HA H 31 4.890 4.890 5.075 -0.185 25933 1704 1 4 . 1 1 31 31 HIS C C 31 177.595 177.595 176.139 1.456 25933 1705 1 4 . 1 1 31 31 HIS CA C 31 58.141 58.141 55.424 2.717 25933 1706 1 4 . 1 1 31 31 HIS CB C 31 30.737 30.737 31.082 -0.346 25933 1707 1 4 . 1 1 31 31 HIS H H 31 9.164 9.164 8.256 0.908 25933 1708 1 4 . 1 1 32 32 ALA N N 32 129.786 129.786 127.021 2.765 25933 1709 1 4 . 1 1 32 32 ALA HA H 32 3.829 3.829 3.897 -0.068 25933 1710 1 4 . 1 1 32 32 ALA C C 32 180.494 180.494 178.405 2.089 25933 1711 1 4 . 1 1 32 32 ALA CA C 32 56.044 56.044 55.500 0.544 25933 1712 1 4 . 1 1 32 32 ALA CB C 32 17.179 17.179 18.813 -1.634 25933 1713 1 4 . 1 1 32 32 ALA H H 32 9.768 9.768 8.646 1.122 25933 1714 1 4 . 1 1 33 33 ASP N N 33 114.332 114.332 118.231 -3.899 25933 1715 1 4 . 1 1 33 33 ASP HA H 33 4.521 4.521 4.369 0.152 25933 1716 1 4 . 1 1 33 33 ASP C C 33 179.006 179.006 178.530 0.476 25933 1717 1 4 . 1 1 33 33 ASP CA C 33 56.541 56.541 57.492 -0.951 25933 1718 1 4 . 1 1 33 33 ASP CB C 33 40.316 40.316 40.823 -0.507 25933 1719 1 4 . 1 1 33 33 ASP H H 33 8.832 8.832 8.616 0.216 25933 1720 1 4 . 1 1 34 34 CYS N N 34 119.035 119.035 115.595 3.440 25933 1721 1 4 . 1 1 34 34 CYS HA H 34 4.224 4.224 4.568 -0.344 25933 1722 1 4 . 1 1 34 34 CYS C C 34 175.978 175.978 176.537 -0.559 25933 1723 1 4 . 1 1 34 34 CYS CA C 34 63.491 63.491 59.240 4.251 25933 1724 1 4 . 1 1 34 34 CYS CB C 34 28.925 28.925 26.537 2.388 25933 1725 1 4 . 1 1 34 34 CYS H H 34 7.364 7.364 8.489 -1.125 25933 1726 1 4 . 1 1 35 35 LEU N N 35 118.363 118.363 120.457 -2.094 25933 1727 1 4 . 1 1 35 35 LEU HA H 35 4.404 4.404 4.374 0.030 25933 1728 1 4 . 1 1 35 35 LEU C C 35 176.327 176.327 175.963 0.364 25933 1729 1 4 . 1 1 35 35 LEU CA C 35 53.966 53.966 54.663 -0.696 25933 1730 1 4 . 1 1 35 35 LEU CB C 35 42.982 42.982 42.207 0.775 25933 1731 1 4 . 1 1 35 35 LEU H H 35 7.135 7.135 7.549 -0.414 25933 1732 1 4 . 1 1 36 36 ASN N N 36 116.501 116.501 114.519 1.982 25933 1733 1 4 . 1 1 36 36 ASN HA H 36 4.461 4.461 4.426 0.035 25933 1734 1 4 . 1 1 36 36 ASN C C 36 175.075 175.075 174.911 0.164 25933 1735 1 4 . 1 1 36 36 ASN CA C 36 54.055 54.055 53.928 0.127 25933 1736 1 4 . 1 1 36 36 ASN CB C 36 37.552 37.552 36.354 1.198 25933 1737 1 4 . 1 1 36 36 ASN H H 36 7.974 7.974 7.893 0.081 25933 1738 1 4 . 1 1 37 37 LEU N N 37 119.139 119.139 118.784 0.355 25933 1739 1 4 . 1 1 37 37 LEU HA H 37 4.472 4.472 4.240 0.232 25933 1740 1 4 . 1 1 37 37 LEU C C 37 178.114 178.114 177.002 1.112 25933 1741 1 4 . 1 1 37 37 LEU CA C 37 54.421 54.421 55.128 -0.707 25933 1742 1 4 . 1 1 37 37 LEU CB C 37 42.937 42.937 39.716 3.221 25933 1743 1 4 . 1 1 37 37 LEU H H 37 7.953 7.953 8.052 -0.099 25933 1744 1 4 . 1 1 38 38 THR N N 38 113.698 113.698 117.003 -3.305 25933 1745 1 4 . 1 1 38 38 THR HA H 38 4.224 4.224 4.197 0.027 25933 1746 1 4 . 1 1 38 38 THR C C 38 174.325 174.325 174.670 -0.345 25933 1747 1 4 . 1 1 38 38 THR CA C 38 62.608 62.608 64.661 -2.053 25933 1748 1 4 . 1 1 38 38 THR CB C 38 69.163 69.163 69.202 -0.039 25933 1749 1 4 . 1 1 38 38 THR H H 38 8.465 8.465 8.038 0.427 25933 1750 1 4 . 1 1 39 39 LYS N N 39 120.070 120.070 121.900 -1.830 25933 1751 1 4 . 1 1 39 39 LYS HA H 39 4.383 4.383 4.423 -0.040 25933 1752 1 4 . 1 1 39 39 LYS C C 39 175.570 175.570 175.408 0.162 25933 1753 1 4 . 1 1 39 39 LYS CA C 39 54.864 54.864 55.329 -0.465 25933 1754 1 4 . 1 1 39 39 LYS CB C 39 34.079 34.079 33.248 0.831 25933 1755 1 4 . 1 1 39 39 LYS H H 39 7.595 7.595 8.105 -0.510 25933 1756 1 4 . 1 1 40 40 ARG N N 40 123.383 123.383 125.695 -2.312 25933 1757 1 4 . 1 1 40 40 ARG HA H 40 4.163 4.163 4.376 -0.213 25933 1758 1 4 . 1 1 40 40 ARG CA C 40 54.474 54.474 54.632 -0.158 25933 1759 1 4 . 1 1 40 40 ARG CB C 40 29.745 29.745 30.079 -0.334 25933 1760 1 4 . 1 1 40 40 ARG H H 40 8.372 8.372 8.475 -0.103 25933 1761 1 4 . 1 1 41 41 PRO HA H 41 4.081 4.081 4.479 -0.398 25933 1762 1 4 . 1 1 41 41 PRO C C 41 176.215 176.215 175.396 0.819 25933 1763 1 4 . 1 1 41 41 PRO CA C 41 63.151 63.151 62.962 0.188 25933 1764 1 4 . 1 1 41 41 PRO CB C 41 32.154 32.154 32.837 -0.683 25933 1765 1 4 . 1 1 42 42 ALA N N 42 126.233 126.233 124.242 1.991 25933 1766 1 4 . 1 1 42 42 ALA HA H 42 4.447 4.447 4.533 -0.086 25933 1767 1 4 . 1 1 42 42 ALA C C 42 177.947 177.947 177.727 0.220 25933 1768 1 4 . 1 1 42 42 ALA CA C 42 51.741 51.741 51.493 0.248 25933 1769 1 4 . 1 1 42 42 ALA CB C 42 20.295 20.295 20.671 -0.376 25933 1770 1 4 . 1 1 42 42 ALA H H 42 8.368 8.368 8.261 0.107 25933 1771 1 4 . 1 1 43 43 GLY N N 43 108.071 108.071 111.932 -3.861 25933 1772 1 4 . 1 1 43 43 GLY C C 43 174.630 174.630 174.646 -0.016 25933 1773 1 4 . 1 1 43 43 GLY CA C 43 45.871 45.871 45.684 0.187 25933 1774 1 4 . 1 1 43 43 GLY H H 43 8.499 8.499 8.512 -0.013 25933 1775 1 4 . 1 1 44 44 LYS N N 44 123.859 123.859 124.452 -0.593 25933 1776 1 4 . 1 1 44 44 LYS HA H 44 4.325 4.325 4.576 -0.251 25933 1777 1 4 . 1 1 44 44 LYS CA C 44 56.012 56.012 55.758 0.254 25933 1778 1 4 . 1 1 44 44 LYS CB C 44 31.307 31.307 33.130 -1.823 25933 1779 1 4 . 1 1 44 44 LYS H H 44 8.485 8.485 8.281 0.204 25933 1780 1 4 . 1 1 45 45 TRP N N 45 124.364 124.364 127.901 -3.537 25933 1781 1 4 . 1 1 45 45 TRP HA H 45 4.317 4.317 4.810 -0.493 25933 1782 1 4 . 1 1 45 45 TRP CA C 45 58.972 58.972 56.186 2.786 25933 1783 1 4 . 1 1 45 45 TRP CB C 45 29.468 29.468 30.982 -1.514 25933 1784 1 4 . 1 1 45 45 TRP H H 45 7.419 7.419 8.923 -1.504 25933 1785 1 4 . 1 1 46 46 GLU N N 46 124.890 124.890 127.958 -3.068 25933 1786 1 4 . 1 1 46 46 GLU HA H 46 4.623 4.623 4.354 0.269 25933 1787 1 4 . 1 1 46 46 GLU CA C 46 53.864 53.864 54.721 -0.857 25933 1788 1 4 . 1 1 46 46 GLU H H 46 7.623 7.623 8.223 -0.600 25933 1789 1 4 . 1 1 47 47 CYS N N 47 130.384 130.384 122.655 7.729 25933 1790 1 4 . 1 1 47 47 CYS HA H 47 4.623 4.623 3.538 1.085 25933 1791 1 4 . 1 1 47 47 CYS H H 47 9.574 9.574 7.678 1.896 25933 1792 1 4 . 1 1 48 48 PRO HA H 48 4.704 4.704 4.234 0.470 25933 1793 1 4 . 1 1 48 48 PRO C C 48 177.973 177.973 177.546 0.427 25933 1794 1 4 . 1 1 48 48 PRO CA C 48 64.380 64.380 64.451 -0.071 25933 1795 1 4 . 1 1 48 48 PRO CB C 48 31.545 31.545 31.504 0.041 25933 1796 1 4 . 1 1 49 49 TRP N N 49 124.314 124.314 119.521 4.793 25933 1797 1 4 . 1 1 49 49 TRP HA H 49 5.248 5.248 4.500 0.748 25933 1798 1 4 . 1 1 49 49 TRP C C 49 179.054 179.054 175.313 3.741 25933 1799 1 4 . 1 1 49 49 TRP CA C 49 56.304 56.304 57.449 -1.145 25933 1800 1 4 . 1 1 49 49 TRP CB C 49 31.375 31.375 28.357 3.018 25933 1801 1 4 . 1 1 49 49 TRP H H 49 8.504 8.504 7.777 0.727 25933 1802 1 4 . 1 1 50 50 HIS N N 50 110.531 110.531 113.881 -3.350 25933 1803 1 4 . 1 1 50 50 HIS HA H 50 4.479 4.479 4.796 -0.317 25933 1804 1 4 . 1 1 50 50 HIS C C 50 175.070 175.070 174.758 0.312 25933 1805 1 4 . 1 1 50 50 HIS CA C 50 56.068 56.068 55.017 1.051 25933 1806 1 4 . 1 1 50 50 HIS CB C 50 28.267 28.267 30.227 -1.960 25933 1807 1 4 . 1 1 50 50 HIS H H 50 7.178 7.178 7.720 -0.542 25933 1808 1 4 . 1 1 51 51 GLN N N 51 118.176 118.176 118.473 -0.297 25933 1809 1 4 . 1 1 51 51 GLN HA H 51 4.638 4.638 4.959 -0.321 25933 1810 1 4 . 1 1 51 51 GLN C C 51 172.785 172.785 174.807 -2.022 25933 1811 1 4 . 1 1 51 51 GLN CA C 51 54.266 54.266 53.693 0.573 25933 1812 1 4 . 1 1 51 51 GLN CB C 51 30.779 30.779 31.118 -0.339 25933 1813 1 4 . 1 1 51 51 GLN H H 51 7.243 7.243 7.538 -0.295 25933 1814 1 4 . 1 1 52 52 CYS N N 52 123.532 123.532 126.753 -3.221 25933 1815 1 4 . 1 1 52 52 CYS HA H 52 4.049 4.049 4.552 -0.503 25933 1816 1 4 . 1 1 52 52 CYS C C 52 177.807 177.807 176.429 1.378 25933 1817 1 4 . 1 1 52 52 CYS CA C 52 58.257 58.257 59.175 -0.918 25933 1818 1 4 . 1 1 52 52 CYS CB C 52 31.165 31.165 27.432 3.733 25933 1819 1 4 . 1 1 52 52 CYS H H 52 9.344 9.344 8.984 0.360 25933 1820 1 4 . 1 1 53 53 ASP N N 53 134.328 134.328 128.456 5.872 25933 1821 1 4 . 1 1 53 53 ASP HA H 53 4.190 4.190 4.372 -0.182 25933 1822 1 4 . 1 1 53 53 ASP C C 53 176.732 176.732 176.743 -0.011 25933 1823 1 4 . 1 1 53 53 ASP CA C 53 57.384 57.384 56.724 0.660 25933 1824 1 4 . 1 1 53 53 ASP CB C 53 41.122 41.122 40.965 0.157 25933 1825 1 4 . 1 1 53 53 ASP H H 53 9.185 9.185 8.845 0.340 25933 1826 1 4 . 1 1 54 54 VAL N N 54 119.653 119.653 118.929 0.724 25933 1827 1 4 . 1 1 54 54 VAL HA H 54 3.877 3.877 3.961 -0.084 25933 1828 1 4 . 1 1 54 54 VAL C C 54 177.243 177.243 176.857 0.386 25933 1829 1 4 . 1 1 54 54 VAL CA C 54 65.092 65.092 64.419 0.673 25933 1830 1 4 . 1 1 54 54 VAL CB C 54 33.012 33.012 32.955 0.057 25933 1831 1 4 . 1 1 54 54 VAL H H 54 8.796 8.796 7.872 0.924 25933 1832 1 4 . 1 1 55 55 CYS N N 55 115.992 115.992 114.308 1.684 25933 1833 1 4 . 1 1 55 55 CYS HA H 55 5.112 5.112 5.017 0.095 25933 1834 1 4 . 1 1 55 55 CYS C C 55 176.818 176.818 176.094 0.724 25933 1835 1 4 . 1 1 55 55 CYS CA C 55 58.337 58.337 57.037 1.300 25933 1836 1 4 . 1 1 55 55 CYS CB C 55 34.324 34.324 30.148 4.176 25933 1837 1 4 . 1 1 55 55 CYS H H 55 7.604 7.604 8.008 -0.404 25933 1838 1 4 . 1 1 56 56 GLY N N 56 114.227 114.227 110.643 3.584 25933 1839 1 4 . 1 1 56 56 GLY C C 56 173.824 173.824 174.480 -0.656 25933 1840 1 4 . 1 1 56 56 GLY CA C 56 46.409 46.409 45.887 0.522 25933 1841 1 4 . 1 1 56 56 GLY H H 56 8.548 8.548 8.591 -0.043 25933 1842 1 4 . 1 1 57 57 LYS N N 57 122.126 122.126 120.315 1.811 25933 1843 1 4 . 1 1 57 57 LYS HA H 57 4.412 4.412 4.334 0.078 25933 1844 1 4 . 1 1 57 57 LYS C C 57 175.055 175.055 175.823 -0.768 25933 1845 1 4 . 1 1 57 57 LYS CA C 57 56.717 56.717 55.399 1.318 25933 1846 1 4 . 1 1 57 57 LYS CB C 57 33.143 33.143 33.468 -0.325 25933 1847 1 4 . 1 1 57 57 LYS H H 57 8.314 8.314 7.375 0.939 25933 1848 1 4 . 1 1 58 58 GLU N N 58 120.782 120.782 119.799 0.983 25933 1849 1 4 . 1 1 58 58 GLU HA H 58 4.153 4.153 4.125 0.028 25933 1850 1 4 . 1 1 58 58 GLU C C 58 176.662 176.662 176.136 0.526 25933 1851 1 4 . 1 1 58 58 GLU CA C 58 57.913 57.913 57.406 0.507 25933 1852 1 4 . 1 1 58 58 GLU CB C 58 29.825 29.825 29.613 0.213 25933 1853 1 4 . 1 1 58 58 GLU H H 58 8.502 8.502 8.568 -0.066 25933 1854 1 4 . 1 1 59 59 ALA N N 59 127.052 127.052 128.904 -1.852 25933 1855 1 4 . 1 1 59 59 ALA HA H 59 3.402 3.402 4.307 -0.905 25933 1856 1 4 . 1 1 59 59 ALA C C 59 175.529 175.529 175.982 -0.453 25933 1857 1 4 . 1 1 59 59 ALA CA C 59 52.238 52.238 51.946 0.292 25933 1858 1 4 . 1 1 59 59 ALA CB C 59 19.006 19.006 19.649 -0.643 25933 1859 1 4 . 1 1 59 59 ALA H H 59 7.812 7.812 8.262 -0.450 25933 1860 1 4 . 1 1 60 60 ALA N N 60 122.703 122.703 125.249 -2.546 25933 1861 1 4 . 1 1 60 60 ALA HA H 60 4.473 4.473 4.419 0.054 25933 1862 1 4 . 1 1 60 60 ALA C C 60 176.087 176.087 176.721 -0.634 25933 1863 1 4 . 1 1 60 60 ALA CA C 60 51.930 51.930 52.142 -0.212 25933 1864 1 4 . 1 1 60 60 ALA CB C 60 23.146 23.146 20.732 2.414 25933 1865 1 4 . 1 1 60 60 ALA H H 60 8.356 8.356 8.603 -0.247 25933 1866 1 4 . 1 1 61 61 SER N N 61 114.279 114.279 113.986 0.293 25933 1867 1 4 . 1 1 61 61 SER HA H 61 4.637 4.637 4.233 0.404 25933 1868 1 4 . 1 1 61 61 SER C C 61 171.865 171.865 172.773 -0.908 25933 1869 1 4 . 1 1 61 61 SER CA C 61 58.060 58.060 56.613 1.447 25933 1870 1 4 . 1 1 61 61 SER CB C 61 66.719 66.719 65.055 1.664 25933 1871 1 4 . 1 1 61 61 SER H H 61 7.427 7.427 7.816 -0.389 25933 1872 1 4 . 1 1 62 62 PHE N N 62 123.075 123.075 118.780 4.295 25933 1873 1 4 . 1 1 62 62 PHE HA H 62 4.342 4.342 4.441 -0.099 25933 1874 1 4 . 1 1 62 62 PHE C C 62 174.547 174.547 175.182 -0.635 25933 1875 1 4 . 1 1 62 62 PHE CA C 62 57.701 57.701 56.082 1.619 25933 1876 1 4 . 1 1 62 62 PHE CB C 62 41.207 41.207 41.104 0.103 25933 1877 1 4 . 1 1 62 62 PHE H H 62 8.193 8.193 7.843 0.350 25933 1878 1 4 . 1 1 63 63 CYS N N 63 126.326 126.326 125.485 0.841 25933 1879 1 4 . 1 1 63 63 CYS HA H 63 4.297 4.297 4.597 -0.300 25933 1880 1 4 . 1 1 63 63 CYS C C 63 176.289 176.289 176.302 -0.013 25933 1881 1 4 . 1 1 63 63 CYS CA C 63 61.098 61.098 58.767 2.331 25933 1882 1 4 . 1 1 63 63 CYS CB C 63 29.621 29.621 27.732 1.889 25933 1883 1 4 . 1 1 63 63 CYS H H 63 9.106 9.106 8.799 0.307 25933 1884 1 4 . 1 1 64 64 GLU N N 64 124.601 124.601 129.459 -4.858 25933 1885 1 4 . 1 1 64 64 GLU HA H 64 4.887 4.887 4.708 0.179 25933 1886 1 4 . 1 1 64 64 GLU C C 64 177.682 177.682 176.610 1.072 25933 1887 1 4 . 1 1 64 64 GLU CA C 64 58.619 58.619 57.643 0.976 25933 1888 1 4 . 1 1 64 64 GLU CB C 64 30.567 30.567 29.732 0.835 25933 1889 1 4 . 1 1 64 64 GLU H H 64 8.911 8.911 9.217 -0.306 25933 1890 1 4 . 1 1 65 65 MET N N 65 121.669 121.669 115.096 6.573 25933 1891 1 4 . 1 1 65 65 MET HA H 65 4.536 4.536 4.723 -0.187 25933 1892 1 4 . 1 1 65 65 MET C C 65 173.906 173.906 175.277 -1.371 25933 1893 1 4 . 1 1 65 65 MET CA C 65 56.157 56.157 55.668 0.489 25933 1894 1 4 . 1 1 65 65 MET CB C 65 33.770 33.770 35.742 -1.972 25933 1895 1 4 . 1 1 65 65 MET H H 65 9.972 9.972 8.314 1.658 25933 1896 1 4 . 1 1 66 66 CYS N N 66 127.827 127.827 115.076 12.751 25933 1897 1 4 . 1 1 66 66 CYS HA H 66 3.424 3.424 4.937 -1.513 25933 1898 1 4 . 1 1 66 66 CYS CA C 66 57.581 57.581 56.896 0.685 25933 1899 1 4 . 1 1 66 66 CYS CB C 66 29.900 29.900 28.385 1.515 25933 1900 1 4 . 1 1 66 66 CYS H H 66 8.286 8.286 7.853 0.433 25933 1901 1 4 . 1 1 67 67 PRO HA H 67 4.660 4.660 4.690 -0.030 25933 1902 1 4 . 1 1 67 67 PRO C C 67 176.387 176.387 175.865 0.522 25933 1903 1 4 . 1 1 67 67 PRO CA C 67 64.462 64.462 63.293 1.169 25933 1904 1 4 . 1 1 67 67 PRO CB C 67 31.018 31.018 31.080 -0.062 25933 1905 1 4 . 1 1 68 68 SER N N 68 122.983 122.983 118.030 4.953 25933 1906 1 4 . 1 1 68 68 SER HA H 68 5.148 5.148 4.560 0.588 25933 1907 1 4 . 1 1 68 68 SER C C 68 173.421 173.421 173.279 0.142 25933 1908 1 4 . 1 1 68 68 SER CA C 68 59.799 59.799 57.054 2.745 25933 1909 1 4 . 1 1 68 68 SER CB C 68 64.047 64.047 63.524 0.523 25933 1910 1 4 . 1 1 68 68 SER H H 68 8.864 8.864 7.768 1.096 25933 1911 1 4 . 1 1 69 69 SER N N 69 115.147 115.147 120.795 -5.648 25933 1912 1 4 . 1 1 69 69 SER HA H 69 4.443 4.443 4.486 -0.043 25933 1913 1 4 . 1 1 69 69 SER C C 69 171.436 171.436 172.512 -1.076 25933 1914 1 4 . 1 1 69 69 SER CA C 69 56.585 56.585 56.876 -0.291 25933 1915 1 4 . 1 1 69 69 SER CB C 69 63.959 63.959 65.001 -1.042 25933 1916 1 4 . 1 1 69 69 SER H H 69 7.874 7.874 8.008 -0.134 25933 1917 1 4 . 1 1 70 70 PHE N N 70 112.477 112.477 116.987 -4.510 25933 1918 1 4 . 1 1 70 70 PHE HA H 70 6.052 6.052 4.982 1.070 25933 1919 1 4 . 1 1 70 70 PHE C C 70 176.905 176.905 175.369 1.536 25933 1920 1 4 . 1 1 70 70 PHE CA C 70 57.026 57.026 56.697 0.329 25933 1921 1 4 . 1 1 70 70 PHE CB C 70 45.774 45.774 43.486 2.288 25933 1922 1 4 . 1 1 70 70 PHE H H 70 8.192 8.192 8.610 -0.418 25933 1923 1 4 . 1 1 71 71 CYS N N 71 121.843 121.843 118.888 2.955 25933 1924 1 4 . 1 1 71 71 CYS HA H 71 4.806 4.806 4.985 -0.179 25933 1925 1 4 . 1 1 71 71 CYS C C 71 174.332 174.332 175.971 -1.639 25933 1926 1 4 . 1 1 71 71 CYS CA C 71 58.618 58.618 56.662 1.956 25933 1927 1 4 . 1 1 71 71 CYS CB C 71 30.249 30.249 30.317 -0.068 25933 1928 1 4 . 1 1 71 71 CYS H H 71 9.511 9.511 8.605 0.906 25933 1929 1 4 . 1 1 72 72 LYS N N 72 118.091 118.091 119.312 -1.221 25933 1930 1 4 . 1 1 72 72 LYS HA H 72 3.679 3.679 3.856 -0.177 25933 1931 1 4 . 1 1 72 72 LYS C C 72 177.831 177.831 179.145 -1.314 25933 1932 1 4 . 1 1 72 72 LYS CA C 72 60.445 60.445 59.919 0.526 25933 1933 1 4 . 1 1 72 72 LYS CB C 72 32.277 32.277 31.969 0.308 25933 1934 1 4 . 1 1 72 72 LYS H H 72 8.804 8.804 8.684 0.120 25933 1935 1 4 . 1 1 73 73 GLN N N 73 118.381 118.381 117.257 1.124 25933 1936 1 4 . 1 1 73 73 GLN HA H 73 4.078 4.078 4.122 -0.044 25933 1937 1 4 . 1 1 73 73 GLN C C 73 177.491 177.491 178.183 -0.692 25933 1938 1 4 . 1 1 73 73 GLN CA C 73 57.894 57.894 57.798 0.096 25933 1939 1 4 . 1 1 73 73 GLN CB C 73 28.754 28.754 28.809 -0.055 25933 1940 1 4 . 1 1 73 73 GLN H H 73 8.139 8.139 7.649 0.490 25933 1941 1 4 . 1 1 74 74 HIS N N 74 117.140 117.140 116.360 0.780 25933 1942 1 4 . 1 1 74 74 HIS HA H 74 5.015 5.015 4.628 0.387 25933 1943 1 4 . 1 1 74 74 HIS C C 74 174.206 174.206 175.984 -1.778 25933 1944 1 4 . 1 1 74 74 HIS CA C 74 57.692 57.692 56.536 1.156 25933 1945 1 4 . 1 1 74 74 HIS CB C 74 32.739 32.739 29.701 3.038 25933 1946 1 4 . 1 1 74 74 HIS H H 74 7.628 7.628 7.472 0.156 25933 1947 1 4 . 1 1 75 75 ARG N N 75 115.977 115.977 118.184 -2.207 25933 1948 1 4 . 1 1 75 75 ARG HA H 75 3.699 3.699 4.171 -0.472 25933 1949 1 4 . 1 1 75 75 ARG C C 75 176.493 176.493 175.944 0.549 25933 1950 1 4 . 1 1 75 75 ARG CA C 75 57.925 57.925 57.311 0.614 25933 1951 1 4 . 1 1 75 75 ARG CB C 75 30.179 30.179 30.491 -0.312 25933 1952 1 4 . 1 1 75 75 ARG H H 75 7.415 7.415 7.730 -0.315 25933 1953 1 4 . 1 1 76 76 GLU N N 76 123.649 123.649 121.588 2.061 25933 1954 1 4 . 1 1 76 76 GLU HA H 76 3.955 3.955 4.092 -0.137 25933 1955 1 4 . 1 1 76 76 GLU C C 76 177.401 177.401 177.248 0.153 25933 1956 1 4 . 1 1 76 76 GLU CA C 76 58.208 58.208 57.587 0.621 25933 1957 1 4 . 1 1 76 76 GLU CB C 76 28.668 28.668 29.395 -0.727 25933 1958 1 4 . 1 1 76 76 GLU H H 76 8.094 8.094 7.275 0.819 25933 1959 1 4 . 1 1 77 77 GLY N N 77 114.787 114.787 114.280 0.507 25933 1960 1 4 . 1 1 77 77 GLY C C 77 174.193 174.193 175.084 -0.891 25933 1961 1 4 . 1 1 77 77 GLY CA C 77 45.502 45.502 46.426 -0.924 25933 1962 1 4 . 1 1 77 77 GLY H H 77 8.831 8.831 8.991 -0.160 25933 1963 1 4 . 1 1 78 78 MET N N 78 115.494 115.494 118.257 -2.763 25933 1964 1 4 . 1 1 78 78 MET HA H 78 4.608 4.608 4.354 0.254 25933 1965 1 4 . 1 1 78 78 MET C C 78 175.808 175.808 175.086 0.722 25933 1966 1 4 . 1 1 78 78 MET CA C 78 53.865 53.865 55.504 -1.639 25933 1967 1 4 . 1 1 78 78 MET CB C 78 33.146 33.146 32.720 0.426 25933 1968 1 4 . 1 1 78 78 MET H H 78 7.320 7.320 7.501 -0.181 25933 1969 1 4 . 1 1 79 79 LEU N N 79 116.112 116.112 119.243 -3.131 25933 1970 1 4 . 1 1 79 79 LEU HA H 79 5.083 5.083 4.643 0.440 25933 1971 1 4 . 1 1 79 79 LEU C C 79 175.580 175.580 174.491 1.089 25933 1972 1 4 . 1 1 79 79 LEU CA C 79 52.710 52.710 53.821 -1.111 25933 1973 1 4 . 1 1 79 79 LEU CB C 79 46.268 46.268 45.347 0.921 25933 1974 1 4 . 1 1 79 79 LEU H H 79 6.783 6.783 7.485 -0.702 25933 1975 1 4 . 1 1 80 80 PHE N N 80 121.484 121.484 120.508 0.976 25933 1976 1 4 . 1 1 80 80 PHE HA H 80 4.773 4.773 4.937 -0.164 25933 1977 1 4 . 1 1 80 80 PHE C C 80 174.354 174.354 173.590 0.764 25933 1978 1 4 . 1 1 80 80 PHE CA C 80 56.225 56.225 55.574 0.651 25933 1979 1 4 . 1 1 80 80 PHE CB C 80 42.377 42.377 41.413 0.964 25933 1980 1 4 . 1 1 80 80 PHE H H 80 9.296 9.296 8.318 0.978 25933 1981 1 4 . 1 1 81 81 ILE N N 81 123.854 123.854 120.913 2.941 25933 1982 1 4 . 1 1 81 81 ILE HA H 81 4.088 4.088 4.582 -0.494 25933 1983 1 4 . 1 1 81 81 ILE C C 81 176.829 176.829 176.345 0.484 25933 1984 1 4 . 1 1 81 81 ILE CA C 81 60.636 60.636 60.587 0.050 25933 1985 1 4 . 1 1 81 81 ILE CB C 81 37.486 37.486 37.927 -0.441 25933 1986 1 4 . 1 1 81 81 ILE H H 81 8.798 8.798 8.487 0.311 25933 1987 1 4 . 1 1 82 82 SER N N 82 124.730 124.730 122.247 2.483 25933 1988 1 4 . 1 1 82 82 SER HA H 82 4.530 4.530 4.668 -0.138 25933 1989 1 4 . 1 1 82 82 SER C C 82 177.460 177.460 175.299 2.161 25933 1990 1 4 . 1 1 82 82 SER CA C 82 58.180 58.180 58.042 0.138 25933 1991 1 4 . 1 1 82 82 SER CB C 82 64.054 64.054 64.071 -0.017 25933 1992 1 4 . 1 1 82 82 SER H H 82 8.898 8.898 9.093 -0.195 25933 1993 1 4 . 1 1 83 83 LYS N N 83 129.518 129.518 128.357 1.161 25933 1994 1 4 . 1 1 83 83 LYS HA H 83 4.198 4.198 4.212 -0.014 25933 1995 1 4 . 1 1 83 83 LYS C C 83 177.173 177.173 177.191 -0.018 25933 1996 1 4 . 1 1 83 83 LYS CA C 83 57.848 57.848 58.686 -0.838 25933 1997 1 4 . 1 1 83 83 LYS CB C 83 32.376 32.376 32.387 -0.011 25933 1998 1 4 . 1 1 83 83 LYS H H 83 9.269 9.269 8.923 0.346 25933 1999 1 4 . 1 1 84 84 LEU N N 84 120.539 120.539 119.763 0.776 25933 2000 1 4 . 1 1 84 84 LEU HA H 84 4.284 4.284 4.234 0.050 25933 2001 1 4 . 1 1 84 84 LEU C C 84 178.443 178.443 178.386 0.057 25933 2002 1 4 . 1 1 84 84 LEU CA C 84 56.827 56.827 57.047 -0.220 25933 2003 1 4 . 1 1 84 84 LEU CB C 84 41.901 41.901 42.509 -0.608 25933 2004 1 4 . 1 1 84 84 LEU H H 84 8.364 8.364 7.745 0.619 25933 2005 1 4 . 1 1 85 85 ASP N N 85 114.333 114.333 115.809 -1.476 25933 2006 1 4 . 1 1 85 85 ASP HA H 85 4.737 4.737 4.781 -0.044 25933 2007 1 4 . 1 1 85 85 ASP C C 85 177.413 177.413 177.398 0.015 25933 2008 1 4 . 1 1 85 85 ASP CA C 85 53.056 53.056 54.484 -1.428 25933 2009 1 4 . 1 1 85 85 ASP CB C 85 42.065 42.065 42.678 -0.613 25933 2010 1 4 . 1 1 85 85 ASP H H 85 7.326 7.326 7.812 -0.486 25933 2011 1 4 . 1 1 86 86 GLY N N 86 108.607 108.607 108.875 -0.268 25933 2012 1 4 . 1 1 86 86 GLY C C 86 174.036 174.036 173.836 0.200 25933 2013 1 4 . 1 1 86 86 GLY CA C 86 46.037 46.037 45.820 0.217 25933 2014 1 4 . 1 1 86 86 GLY H H 86 7.901 7.901 8.309 -0.408 25933 2015 1 4 . 1 1 87 87 ARG N N 87 120.598 120.598 118.944 1.654 25933 2016 1 4 . 1 1 87 87 ARG HA H 87 4.345 4.345 4.655 -0.310 25933 2017 1 4 . 1 1 87 87 ARG C C 87 175.968 175.968 176.087 -0.119 25933 2018 1 4 . 1 1 87 87 ARG CA C 87 56.810 56.810 54.813 1.997 25933 2019 1 4 . 1 1 87 87 ARG CB C 87 31.934 31.934 32.156 -0.222 25933 2020 1 4 . 1 1 87 87 ARG H H 87 7.948 7.948 7.577 0.371 25933 2021 1 4 . 1 1 88 88 LEU N N 88 126.752 126.752 123.701 3.051 25933 2022 1 4 . 1 1 88 88 LEU HA H 88 4.576 4.576 4.825 -0.249 25933 2023 1 4 . 1 1 88 88 LEU C C 88 176.060 176.060 175.939 0.121 25933 2024 1 4 . 1 1 88 88 LEU CA C 88 55.558 55.558 55.249 0.309 25933 2025 1 4 . 1 1 88 88 LEU CB C 88 42.815 42.815 42.283 0.532 25933 2026 1 4 . 1 1 88 88 LEU H H 88 8.968 8.968 9.204 -0.236 25933 2027 1 4 . 1 1 89 89 SER N N 89 118.859 118.859 119.489 -0.630 25933 2028 1 4 . 1 1 89 89 SER HA H 89 6.146 6.146 5.187 0.959 25933 2029 1 4 . 1 1 89 89 SER C C 89 174.338 174.338 173.504 0.834 25933 2030 1 4 . 1 1 89 89 SER CA C 89 56.311 56.311 56.231 0.080 25933 2031 1 4 . 1 1 89 89 SER CB C 89 67.072 67.072 65.704 1.368 25933 2032 1 4 . 1 1 89 89 SER H H 89 9.083 9.083 8.973 0.110 25933 2033 1 4 . 1 1 90 90 CYS N N 90 128.907 128.907 124.514 4.393 25933 2034 1 4 . 1 1 90 90 CYS HA H 90 5.815 5.815 5.372 0.443 25933 2035 1 4 . 1 1 90 90 CYS C C 90 176.386 176.386 177.239 -0.853 25933 2036 1 4 . 1 1 90 90 CYS CA C 90 58.908 58.908 56.342 2.566 25933 2037 1 4 . 1 1 90 90 CYS CB C 90 29.444 29.444 30.193 -0.749 25933 2038 1 4 . 1 1 90 90 CYS H H 90 10.389 10.389 8.368 2.021 25933 2039 1 4 . 1 1 91 91 THR N N 91 108.692 108.692 112.324 -3.632 25933 2040 1 4 . 1 1 91 91 THR HA H 91 4.398 4.398 4.400 -0.002 25933 2041 1 4 . 1 1 91 91 THR C C 91 175.912 175.912 174.918 0.994 25933 2042 1 4 . 1 1 91 91 THR CA C 91 63.576 63.576 64.420 -0.844 25933 2043 1 4 . 1 1 91 91 THR CB C 91 69.172 69.172 68.130 1.042 25933 2044 1 4 . 1 1 91 91 THR H H 91 8.435 8.435 8.403 0.032 25933 2045 1 4 . 1 1 92 92 GLU N N 92 123.418 123.418 119.659 3.759 25933 2046 1 4 . 1 1 92 92 GLU HA H 92 4.280 4.280 4.379 -0.099 25933 2047 1 4 . 1 1 92 92 GLU C C 92 175.937 175.937 176.466 -0.529 25933 2048 1 4 . 1 1 92 92 GLU CA C 92 56.582 56.582 56.003 0.579 25933 2049 1 4 . 1 1 92 92 GLU CB C 92 28.887 28.887 29.015 -0.128 25933 2050 1 4 . 1 1 92 92 GLU H H 92 8.626 8.626 7.556 1.070 25933 2051 1 4 . 1 1 93 93 HIS N N 93 117.178 117.178 117.686 -0.508 25933 2052 1 4 . 1 1 93 93 HIS HA H 93 4.789 4.789 4.909 -0.120 25933 2053 1 4 . 1 1 93 93 HIS C C 93 174.016 174.016 174.176 -0.160 25933 2054 1 4 . 1 1 93 93 HIS CA C 93 54.275 54.275 54.317 -0.042 25933 2055 1 4 . 1 1 93 93 HIS CB C 93 29.373 29.373 29.292 0.081 25933 2056 1 4 . 1 1 93 93 HIS H H 93 7.244 7.244 7.630 -0.386 25933 2057 1 5 . 1 1 2 2 ALA N N 2 124.503 124.503 124.919 -0.416 25933 2058 1 5 . 1 1 2 2 ALA HA H 2 4.337 4.337 3.995 0.342 25933 2059 1 5 . 1 1 2 2 ALA C C 2 177.688 177.688 178.026 -0.338 25933 2060 1 5 . 1 1 2 2 ALA CA C 2 52.598 52.598 53.491 -0.893 25933 2061 1 5 . 1 1 2 2 ALA CB C 2 19.375 19.375 18.007 1.368 25933 2062 1 5 . 1 1 2 2 ALA H H 2 8.639 8.639 8.261 0.378 25933 2063 1 5 . 1 1 3 3 MET N N 3 120.183 120.183 122.981 -2.798 25933 2064 1 5 . 1 1 3 3 MET HA H 3 4.402 4.402 4.492 -0.090 25933 2065 1 5 . 1 1 3 3 MET C C 3 176.072 176.072 175.518 0.554 25933 2066 1 5 . 1 1 3 3 MET CA C 3 55.636 55.636 54.261 1.375 25933 2067 1 5 . 1 1 3 3 MET CB C 3 32.936 32.936 31.133 1.803 25933 2068 1 5 . 1 1 3 3 MET H H 3 8.483 8.483 8.033 0.450 25933 2069 1 5 . 1 1 4 4 GLU N N 4 123.573 123.573 124.018 -0.445 25933 2070 1 5 . 1 1 4 4 GLU HA H 4 4.255 4.255 4.320 -0.065 25933 2071 1 5 . 1 1 4 4 GLU C C 4 175.719 175.719 175.919 -0.200 25933 2072 1 5 . 1 1 4 4 GLU CA C 4 56.516 56.516 56.170 0.346 25933 2073 1 5 . 1 1 4 4 GLU CB C 4 30.209 30.209 30.608 -0.399 25933 2074 1 5 . 1 1 4 4 GLU H H 4 8.417 8.417 8.508 -0.091 25933 2075 1 5 . 1 1 5 5 ARG N N 5 121.879 121.879 121.362 0.517 25933 2076 1 5 . 1 1 5 5 ARG HA H 5 4.327 4.327 4.661 -0.334 25933 2077 1 5 . 1 1 5 5 ARG C C 5 175.991 175.991 175.330 0.661 25933 2078 1 5 . 1 1 5 5 ARG CA C 5 55.879 55.879 54.865 1.014 25933 2079 1 5 . 1 1 5 5 ARG CB C 5 31.336 31.336 33.077 -1.741 25933 2080 1 5 . 1 1 5 5 ARG H H 5 8.099 8.099 8.390 -0.291 25933 2081 1 5 . 1 1 6 6 GLU N N 6 124.508 124.508 121.441 3.067 25933 2082 1 5 . 1 1 6 6 GLU HA H 6 4.245 4.245 4.346 -0.101 25933 2083 1 5 . 1 1 6 6 GLU C C 6 174.941 174.941 175.971 -1.030 25933 2084 1 5 . 1 1 6 6 GLU CA C 6 56.775 56.775 56.130 0.645 25933 2085 1 5 . 1 1 6 6 GLU CB C 6 30.421 30.421 30.803 -0.382 25933 2086 1 5 . 1 1 6 6 GLU H H 6 8.560 8.560 8.603 -0.043 25933 2087 1 5 . 1 1 7 7 ASP N N 7 117.067 117.067 125.530 -8.463 25933 2088 1 5 . 1 1 7 7 ASP HA H 7 4.520 4.520 4.646 -0.126 25933 2089 1 5 . 1 1 7 7 ASP C C 7 174.744 174.744 174.835 -0.091 25933 2090 1 5 . 1 1 7 7 ASP CA C 7 53.697 53.697 54.039 -0.342 25933 2091 1 5 . 1 1 7 7 ASP CB C 7 42.222 42.222 40.551 1.671 25933 2092 1 5 . 1 1 7 7 ASP H H 7 8.237 8.237 8.547 -0.310 25933 2093 1 5 . 1 1 8 8 GLU N N 8 116.268 116.268 119.225 -2.957 25933 2094 1 5 . 1 1 8 8 GLU HA H 8 4.083 4.083 4.362 -0.279 25933 2095 1 5 . 1 1 8 8 GLU C C 8 173.257 173.257 174.212 -0.955 25933 2096 1 5 . 1 1 8 8 GLU CA C 8 54.382 54.382 55.570 -1.188 25933 2097 1 5 . 1 1 8 8 GLU CB C 8 32.438 32.438 32.769 -0.331 25933 2098 1 5 . 1 1 8 8 GLU H H 8 7.005 7.005 7.521 -0.516 25933 2099 1 5 . 1 1 9 9 CYS N N 9 124.211 124.211 124.345 -0.134 25933 2100 1 5 . 1 1 9 9 CYS HA H 9 4.157 4.157 4.860 -0.703 25933 2101 1 5 . 1 1 9 9 CYS C C 9 178.384 178.384 175.957 2.427 25933 2102 1 5 . 1 1 9 9 CYS CA C 9 57.640 57.640 57.848 -0.208 25933 2103 1 5 . 1 1 9 9 CYS CB C 9 31.396 31.396 26.217 5.179 25933 2104 1 5 . 1 1 9 9 CYS H H 9 8.220 8.220 8.739 -0.519 25933 2105 1 5 . 1 1 10 10 PHE N N 10 131.759 131.759 128.607 3.152 25933 2106 1 5 . 1 1 10 10 PHE HA H 10 4.695 4.695 4.170 0.525 25933 2107 1 5 . 1 1 10 10 PHE C C 10 176.194 176.194 175.897 0.297 25933 2108 1 5 . 1 1 10 10 PHE CA C 10 55.935 55.935 60.683 -4.748 25933 2109 1 5 . 1 1 10 10 PHE CB C 10 38.279 38.279 39.571 -1.292 25933 2110 1 5 . 1 1 10 10 PHE H H 10 8.765 8.765 8.149 0.616 25933 2111 1 5 . 1 1 11 11 SER N N 11 114.027 114.027 114.656 -0.629 25933 2112 1 5 . 1 1 11 11 SER HA H 11 4.331 4.331 4.262 0.069 25933 2113 1 5 . 1 1 11 11 SER C C 11 175.836 175.836 174.624 1.212 25933 2114 1 5 . 1 1 11 11 SER CA C 11 61.956 61.956 61.053 0.903 25933 2115 1 5 . 1 1 11 11 SER CB C 11 63.774 63.774 63.704 0.070 25933 2116 1 5 . 1 1 11 11 SER H H 11 8.686 8.686 8.193 0.493 25933 2117 1 5 . 1 1 12 12 CYS N N 12 118.224 118.224 117.281 0.943 25933 2118 1 5 . 1 1 12 12 CYS HA H 12 5.121 5.121 4.778 0.343 25933 2119 1 5 . 1 1 12 12 CYS C C 12 176.817 176.817 175.845 0.972 25933 2120 1 5 . 1 1 12 12 CYS CA C 12 58.693 58.693 59.128 -0.435 25933 2121 1 5 . 1 1 12 12 CYS CB C 12 32.837 32.837 30.594 2.243 25933 2122 1 5 . 1 1 12 12 CYS H H 12 8.195 8.195 7.582 0.613 25933 2123 1 5 . 1 1 13 13 GLY N N 13 114.509 114.509 109.074 5.435 25933 2124 1 5 . 1 1 13 13 GLY C C 13 173.093 173.093 173.488 -0.395 25933 2125 1 5 . 1 1 13 13 GLY CA C 13 46.346 46.346 45.224 1.122 25933 2126 1 5 . 1 1 13 13 GLY H H 13 8.385 8.385 8.657 -0.272 25933 2127 1 5 . 1 1 14 14 ASP N N 14 122.123 122.123 120.809 1.314 25933 2128 1 5 . 1 1 14 14 ASP HA H 14 5.294 5.294 4.961 0.333 25933 2129 1 5 . 1 1 14 14 ASP C C 14 176.111 176.111 174.591 1.520 25933 2130 1 5 . 1 1 14 14 ASP CA C 14 53.304 53.304 53.759 -0.455 25933 2131 1 5 . 1 1 14 14 ASP CB C 14 43.175 43.175 43.985 -0.810 25933 2132 1 5 . 1 1 14 14 ASP H H 14 8.512 8.512 7.742 0.770 25933 2133 1 5 . 1 1 15 15 ALA N N 15 123.765 123.765 122.918 0.847 25933 2134 1 5 . 1 1 15 15 ALA HA H 15 4.679 4.679 4.518 0.161 25933 2135 1 5 . 1 1 15 15 ALA C C 15 177.375 177.375 177.047 0.328 25933 2136 1 5 . 1 1 15 15 ALA CA C 15 51.216 51.216 51.564 -0.348 25933 2137 1 5 . 1 1 15 15 ALA CB C 15 19.842 19.842 21.531 -1.689 25933 2138 1 5 . 1 1 15 15 ALA H H 15 8.538 8.538 8.369 0.169 25933 2139 1 5 . 1 1 16 16 GLY N N 16 108.898 108.898 110.448 -1.550 25933 2140 1 5 . 1 1 16 16 GLY C C 16 172.132 172.132 173.868 -1.736 25933 2141 1 5 . 1 1 16 16 GLY CA C 16 45.320 45.320 45.458 -0.138 25933 2142 1 5 . 1 1 16 16 GLY H H 16 8.304 8.304 8.096 0.208 25933 2143 1 5 . 1 1 17 17 GLN N N 17 125.473 125.473 124.103 1.370 25933 2144 1 5 . 1 1 17 17 GLN HA H 17 4.359 4.359 4.429 -0.070 25933 2145 1 5 . 1 1 17 17 GLN C C 17 175.263 175.263 174.968 0.295 25933 2146 1 5 . 1 1 17 17 GLN CA C 17 55.779 55.779 55.282 0.497 25933 2147 1 5 . 1 1 17 17 GLN CB C 17 27.927 27.927 27.563 0.364 25933 2148 1 5 . 1 1 17 17 GLN H H 17 8.887 8.887 8.478 0.409 25933 2149 1 5 . 1 1 18 18 LEU N N 18 127.246 127.246 124.317 2.929 25933 2150 1 5 . 1 1 18 18 LEU HA H 18 4.714 4.714 5.049 -0.335 25933 2151 1 5 . 1 1 18 18 LEU C C 18 177.078 177.078 176.464 0.614 25933 2152 1 5 . 1 1 18 18 LEU CA C 18 53.755 53.755 53.475 0.280 25933 2153 1 5 . 1 1 18 18 LEU CB C 18 44.191 44.191 43.880 0.311 25933 2154 1 5 . 1 1 18 18 LEU H H 18 8.322 8.322 7.989 0.333 25933 2155 1 5 . 1 1 19 19 VAL N N 19 121.280 121.280 122.965 -1.685 25933 2156 1 5 . 1 1 19 19 VAL HA H 19 4.547 4.547 4.374 0.173 25933 2157 1 5 . 1 1 19 19 VAL C C 19 175.238 175.238 174.562 0.676 25933 2158 1 5 . 1 1 19 19 VAL CA C 19 59.975 59.975 60.499 -0.524 25933 2159 1 5 . 1 1 19 19 VAL CB C 19 33.809 33.809 33.890 -0.081 25933 2160 1 5 . 1 1 19 19 VAL H H 19 9.789 9.789 9.154 0.635 25933 2161 1 5 . 1 1 20 20 SER N N 20 118.562 118.562 122.472 -3.910 25933 2162 1 5 . 1 1 20 20 SER HA H 20 5.062 5.062 4.602 0.460 25933 2163 1 5 . 1 1 20 20 SER C C 20 174.439 174.439 174.245 0.194 25933 2164 1 5 . 1 1 20 20 SER CA C 20 57.132 57.132 57.541 -0.409 25933 2165 1 5 . 1 1 20 20 SER CB C 20 64.811 64.811 64.436 0.375 25933 2166 1 5 . 1 1 20 20 SER H H 20 8.638 8.638 8.389 0.249 25933 2167 1 5 . 1 1 21 21 CYS N N 21 125.432 125.432 125.255 0.177 25933 2168 1 5 . 1 1 21 21 CYS HA H 21 4.311 4.311 4.555 -0.244 25933 2169 1 5 . 1 1 21 21 CYS CA C 21 61.656 61.656 59.854 1.802 25933 2170 1 5 . 1 1 21 21 CYS CB C 21 31.029 31.029 27.110 3.920 25933 2171 1 5 . 1 1 21 21 CYS H H 21 8.132 8.132 8.384 -0.252 25933 2172 1 5 . 1 1 22 22 LYS N N 22 125.587 125.587 126.063 -0.476 25933 2173 1 5 . 1 1 22 22 LYS HA H 22 4.648 4.648 4.319 0.329 25933 2174 1 5 . 1 1 22 22 LYS C C 22 177.460 177.460 176.068 1.392 25933 2175 1 5 . 1 1 22 22 LYS H H 22 8.294 8.294 8.595 -0.301 25933 2176 1 5 . 1 1 23 23 LYS N N 23 130.703 130.703 120.771 9.932 25933 2177 1 5 . 1 1 23 23 LYS HA H 23 4.385 4.385 4.761 -0.376 25933 2178 1 5 . 1 1 23 23 LYS CA C 23 55.222 55.222 52.982 2.240 25933 2179 1 5 . 1 1 23 23 LYS CB C 23 33.949 33.949 33.992 -0.043 25933 2180 1 5 . 1 1 23 23 LYS H H 23 9.496 9.496 7.859 1.637 25933 2181 1 5 . 1 1 24 24 PRO HA H 24 4.198 4.198 4.450 -0.252 25933 2182 1 5 . 1 1 24 24 PRO C C 24 177.835 177.835 177.693 0.142 25933 2183 1 5 . 1 1 24 24 PRO CA C 24 64.454 64.454 63.775 0.679 25933 2184 1 5 . 1 1 24 24 PRO CB C 24 31.420 31.420 31.695 -0.275 25933 2185 1 5 . 1 1 25 25 GLY N N 25 114.246 114.246 111.716 2.530 25933 2186 1 5 . 1 1 25 25 GLY C C 25 173.630 173.630 174.296 -0.666 25933 2187 1 5 . 1 1 25 25 GLY CA C 25 45.200 45.200 44.888 0.312 25933 2188 1 5 . 1 1 25 25 GLY H H 25 8.823 8.823 8.719 0.104 25933 2189 1 5 . 1 1 26 26 CYS N N 26 126.002 126.002 122.105 3.897 25933 2190 1 5 . 1 1 26 26 CYS HA H 26 5.014 5.014 4.976 0.038 25933 2191 1 5 . 1 1 26 26 CYS CA C 26 56.747 56.747 55.298 1.449 25933 2192 1 5 . 1 1 26 26 CYS CB C 26 32.711 32.711 27.727 4.984 25933 2193 1 5 . 1 1 26 26 CYS H H 26 8.076 8.076 7.708 0.368 25933 2194 1 5 . 1 1 27 27 PRO HA H 27 4.802 4.802 4.634 0.168 25933 2195 1 5 . 1 1 27 27 PRO C C 27 175.970 175.970 175.554 0.416 25933 2196 1 5 . 1 1 27 27 PRO CA C 27 63.334 63.334 63.040 0.294 25933 2197 1 5 . 1 1 27 27 PRO CB C 27 32.920 32.920 31.717 1.203 25933 2198 1 5 . 1 1 28 28 LYS N N 28 121.413 121.413 120.181 1.232 25933 2199 1 5 . 1 1 28 28 LYS HA H 28 3.889 3.889 4.275 -0.386 25933 2200 1 5 . 1 1 28 28 LYS C C 28 175.961 175.961 174.431 1.530 25933 2201 1 5 . 1 1 28 28 LYS CA C 28 55.327 55.327 55.541 -0.214 25933 2202 1 5 . 1 1 28 28 LYS CB C 28 32.132 32.132 33.998 -1.866 25933 2203 1 5 . 1 1 28 28 LYS H H 28 8.353 8.353 7.293 1.060 25933 2204 1 5 . 1 1 29 29 VAL N N 29 115.183 115.183 121.477 -6.294 25933 2205 1 5 . 1 1 29 29 VAL HA H 29 5.286 5.286 4.304 0.982 25933 2206 1 5 . 1 1 29 29 VAL C C 29 174.480 174.480 173.267 1.213 25933 2207 1 5 . 1 1 29 29 VAL CA C 29 58.616 58.616 59.743 -1.127 25933 2208 1 5 . 1 1 29 29 VAL CB C 29 35.526 35.526 35.262 0.264 25933 2209 1 5 . 1 1 29 29 VAL H H 29 8.346 8.346 8.132 0.214 25933 2210 1 5 . 1 1 30 30 TYR N N 30 114.639 114.639 121.748 -7.109 25933 2211 1 5 . 1 1 30 30 TYR HA H 30 5.821 5.821 4.672 1.149 25933 2212 1 5 . 1 1 30 30 TYR C C 30 177.221 177.221 174.376 2.845 25933 2213 1 5 . 1 1 30 30 TYR CA C 30 56.989 56.989 56.175 0.814 25933 2214 1 5 . 1 1 30 30 TYR CB C 30 45.110 45.110 42.315 2.795 25933 2215 1 5 . 1 1 30 30 TYR H H 30 8.792 8.792 8.770 0.022 25933 2216 1 5 . 1 1 31 31 HIS N N 31 121.470 121.470 118.950 2.520 25933 2217 1 5 . 1 1 31 31 HIS HA H 31 4.890 4.890 5.096 -0.206 25933 2218 1 5 . 1 1 31 31 HIS C C 31 177.595 177.595 176.197 1.398 25933 2219 1 5 . 1 1 31 31 HIS CA C 31 58.141 58.141 55.419 2.722 25933 2220 1 5 . 1 1 31 31 HIS CB C 31 30.737 30.737 30.896 -0.159 25933 2221 1 5 . 1 1 31 31 HIS H H 31 9.164 9.164 8.279 0.885 25933 2222 1 5 . 1 1 32 32 ALA N N 32 129.786 129.786 126.913 2.873 25933 2223 1 5 . 1 1 32 32 ALA HA H 32 3.829 3.829 3.960 -0.131 25933 2224 1 5 . 1 1 32 32 ALA C C 32 180.494 180.494 178.160 2.334 25933 2225 1 5 . 1 1 32 32 ALA CA C 32 56.044 56.044 55.488 0.556 25933 2226 1 5 . 1 1 32 32 ALA CB C 32 17.179 17.179 18.641 -1.462 25933 2227 1 5 . 1 1 32 32 ALA H H 32 9.768 9.768 8.930 0.838 25933 2228 1 5 . 1 1 33 33 ASP N N 33 114.332 114.332 117.188 -2.856 25933 2229 1 5 . 1 1 33 33 ASP HA H 33 4.521 4.521 4.360 0.161 25933 2230 1 5 . 1 1 33 33 ASP C C 33 179.006 179.006 178.330 0.676 25933 2231 1 5 . 1 1 33 33 ASP CA C 33 56.541 56.541 56.760 -0.219 25933 2232 1 5 . 1 1 33 33 ASP CB C 33 40.316 40.316 39.867 0.449 25933 2233 1 5 . 1 1 33 33 ASP H H 33 8.832 8.832 8.682 0.150 25933 2234 1 5 . 1 1 34 34 CYS N N 34 119.035 119.035 115.898 3.137 25933 2235 1 5 . 1 1 34 34 CYS HA H 34 4.224 4.224 4.575 -0.351 25933 2236 1 5 . 1 1 34 34 CYS C C 34 175.978 175.978 176.460 -0.482 25933 2237 1 5 . 1 1 34 34 CYS CA C 34 63.491 63.491 59.080 4.411 25933 2238 1 5 . 1 1 34 34 CYS CB C 34 28.925 28.925 26.905 2.020 25933 2239 1 5 . 1 1 34 34 CYS H H 34 7.364 7.364 8.224 -0.860 25933 2240 1 5 . 1 1 35 35 LEU N N 35 118.363 118.363 120.431 -2.068 25933 2241 1 5 . 1 1 35 35 LEU HA H 35 4.404 4.404 4.309 0.095 25933 2242 1 5 . 1 1 35 35 LEU C C 35 176.327 176.327 176.344 -0.017 25933 2243 1 5 . 1 1 35 35 LEU CA C 35 53.966 53.966 54.776 -0.810 25933 2244 1 5 . 1 1 35 35 LEU CB C 35 42.982 42.982 42.090 0.892 25933 2245 1 5 . 1 1 35 35 LEU H H 35 7.135 7.135 7.640 -0.505 25933 2246 1 5 . 1 1 36 36 ASN N N 36 116.501 116.501 114.594 1.907 25933 2247 1 5 . 1 1 36 36 ASN HA H 36 4.461 4.461 4.430 0.031 25933 2248 1 5 . 1 1 36 36 ASN C C 36 175.075 175.075 174.704 0.371 25933 2249 1 5 . 1 1 36 36 ASN CA C 36 54.055 54.055 53.728 0.327 25933 2250 1 5 . 1 1 36 36 ASN CB C 36 37.552 37.552 37.093 0.459 25933 2251 1 5 . 1 1 36 36 ASN H H 36 7.974 7.974 7.782 0.192 25933 2252 1 5 . 1 1 37 37 LEU N N 37 119.139 119.139 120.832 -1.693 25933 2253 1 5 . 1 1 37 37 LEU HA H 37 4.472 4.472 4.415 0.057 25933 2254 1 5 . 1 1 37 37 LEU C C 37 178.114 178.114 177.424 0.690 25933 2255 1 5 . 1 1 37 37 LEU CA C 37 54.421 54.421 54.934 -0.513 25933 2256 1 5 . 1 1 37 37 LEU CB C 37 42.937 42.937 40.377 2.560 25933 2257 1 5 . 1 1 37 37 LEU H H 37 7.953 7.953 8.351 -0.398 25933 2258 1 5 . 1 1 38 38 THR N N 38 113.698 113.698 115.012 -1.314 25933 2259 1 5 . 1 1 38 38 THR HA H 38 4.224 4.224 4.258 -0.034 25933 2260 1 5 . 1 1 38 38 THR C C 38 174.325 174.325 174.778 -0.453 25933 2261 1 5 . 1 1 38 38 THR CA C 38 62.608 62.608 62.656 -0.048 25933 2262 1 5 . 1 1 38 38 THR CB C 38 69.163 69.163 69.249 -0.086 25933 2263 1 5 . 1 1 38 38 THR H H 38 8.465 8.465 7.895 0.570 25933 2264 1 5 . 1 1 39 39 LYS N N 39 120.070 120.070 121.543 -1.473 25933 2265 1 5 . 1 1 39 39 LYS HA H 39 4.383 4.383 4.455 -0.072 25933 2266 1 5 . 1 1 39 39 LYS C C 39 175.570 175.570 175.061 0.509 25933 2267 1 5 . 1 1 39 39 LYS CA C 39 54.864 54.864 55.283 -0.419 25933 2268 1 5 . 1 1 39 39 LYS CB C 39 34.079 34.079 34.875 -0.796 25933 2269 1 5 . 1 1 39 39 LYS H H 39 7.595 7.595 7.780 -0.185 25933 2270 1 5 . 1 1 40 40 ARG N N 40 123.383 123.383 122.794 0.589 25933 2271 1 5 . 1 1 40 40 ARG HA H 40 4.163 4.163 4.495 -0.332 25933 2272 1 5 . 1 1 40 40 ARG CA C 40 54.474 54.474 54.548 -0.074 25933 2273 1 5 . 1 1 40 40 ARG CB C 40 29.745 29.745 29.992 -0.247 25933 2274 1 5 . 1 1 40 40 ARG H H 40 8.372 8.372 8.466 -0.094 25933 2275 1 5 . 1 1 41 41 PRO HA H 41 4.081 4.081 4.442 -0.361 25933 2276 1 5 . 1 1 41 41 PRO C C 41 176.215 176.215 175.478 0.737 25933 2277 1 5 . 1 1 41 41 PRO CA C 41 63.151 63.151 62.947 0.205 25933 2278 1 5 . 1 1 41 41 PRO CB C 41 32.154 32.154 32.357 -0.203 25933 2279 1 5 . 1 1 42 42 ALA N N 42 126.233 126.233 123.869 2.364 25933 2280 1 5 . 1 1 42 42 ALA HA H 42 4.447 4.447 4.504 -0.057 25933 2281 1 5 . 1 1 42 42 ALA C C 42 177.947 177.947 177.077 0.870 25933 2282 1 5 . 1 1 42 42 ALA CA C 42 51.741 51.741 51.564 0.177 25933 2283 1 5 . 1 1 42 42 ALA CB C 42 20.295 20.295 20.661 -0.366 25933 2284 1 5 . 1 1 42 42 ALA H H 42 8.368 8.368 8.148 0.220 25933 2285 1 5 . 1 1 43 43 GLY N N 43 108.071 108.071 110.110 -2.039 25933 2286 1 5 . 1 1 43 43 GLY C C 43 174.630 174.630 173.860 0.770 25933 2287 1 5 . 1 1 43 43 GLY CA C 43 45.871 45.871 44.821 1.050 25933 2288 1 5 . 1 1 43 43 GLY H H 43 8.499 8.499 8.344 0.155 25933 2289 1 5 . 1 1 44 44 LYS N N 44 123.859 123.859 123.623 0.236 25933 2290 1 5 . 1 1 44 44 LYS HA H 44 4.325 4.325 4.488 -0.163 25933 2291 1 5 . 1 1 44 44 LYS CA C 44 56.012 56.012 55.960 0.052 25933 2292 1 5 . 1 1 44 44 LYS CB C 44 31.307 31.307 33.040 -1.733 25933 2293 1 5 . 1 1 44 44 LYS H H 44 8.485 8.485 8.501 -0.016 25933 2294 1 5 . 1 1 45 45 TRP N N 45 124.364 124.364 128.394 -4.030 25933 2295 1 5 . 1 1 45 45 TRP HA H 45 4.317 4.317 4.827 -0.510 25933 2296 1 5 . 1 1 45 45 TRP CA C 45 58.972 58.972 56.548 2.424 25933 2297 1 5 . 1 1 45 45 TRP CB C 45 29.468 29.468 31.070 -1.602 25933 2298 1 5 . 1 1 45 45 TRP H H 45 7.419 7.419 8.964 -1.545 25933 2299 1 5 . 1 1 46 46 GLU N N 46 124.890 124.890 127.571 -2.681 25933 2300 1 5 . 1 1 46 46 GLU HA H 46 4.623 4.623 4.402 0.221 25933 2301 1 5 . 1 1 46 46 GLU CA C 46 53.864 53.864 54.972 -1.108 25933 2302 1 5 . 1 1 46 46 GLU H H 46 7.623 7.623 8.169 -0.546 25933 2303 1 5 . 1 1 47 47 CYS N N 47 130.384 130.384 122.584 7.800 25933 2304 1 5 . 1 1 47 47 CYS HA H 47 4.623 4.623 3.673 0.950 25933 2305 1 5 . 1 1 47 47 CYS H H 47 9.574 9.574 7.867 1.707 25933 2306 1 5 . 1 1 48 48 PRO HA H 48 4.704 4.704 4.188 0.516 25933 2307 1 5 . 1 1 48 48 PRO C C 48 177.973 177.973 177.679 0.294 25933 2308 1 5 . 1 1 48 48 PRO CA C 48 64.380 64.380 64.561 -0.182 25933 2309 1 5 . 1 1 48 48 PRO CB C 48 31.545 31.545 31.514 0.031 25933 2310 1 5 . 1 1 49 49 TRP N N 49 124.314 124.314 119.287 5.027 25933 2311 1 5 . 1 1 49 49 TRP HA H 49 5.248 5.248 4.705 0.543 25933 2312 1 5 . 1 1 49 49 TRP C C 49 179.054 179.054 175.427 3.627 25933 2313 1 5 . 1 1 49 49 TRP CA C 49 56.304 56.304 57.358 -1.054 25933 2314 1 5 . 1 1 49 49 TRP CB C 49 31.375 31.375 28.407 2.968 25933 2315 1 5 . 1 1 49 49 TRP H H 49 8.504 8.504 7.875 0.629 25933 2316 1 5 . 1 1 50 50 HIS N N 50 110.531 110.531 113.467 -2.936 25933 2317 1 5 . 1 1 50 50 HIS HA H 50 4.479 4.479 4.674 -0.195 25933 2318 1 5 . 1 1 50 50 HIS C C 50 175.070 175.070 174.756 0.314 25933 2319 1 5 . 1 1 50 50 HIS CA C 50 56.068 56.068 55.147 0.921 25933 2320 1 5 . 1 1 50 50 HIS CB C 50 28.267 28.267 30.543 -2.276 25933 2321 1 5 . 1 1 50 50 HIS H H 50 7.178 7.178 7.633 -0.455 25933 2322 1 5 . 1 1 51 51 GLN N N 51 118.176 118.176 118.318 -0.142 25933 2323 1 5 . 1 1 51 51 GLN HA H 51 4.638 4.638 4.943 -0.305 25933 2324 1 5 . 1 1 51 51 GLN C C 51 172.785 172.785 174.891 -2.106 25933 2325 1 5 . 1 1 51 51 GLN CA C 51 54.266 54.266 53.643 0.623 25933 2326 1 5 . 1 1 51 51 GLN CB C 51 30.779 30.779 31.286 -0.507 25933 2327 1 5 . 1 1 51 51 GLN H H 51 7.243 7.243 7.595 -0.352 25933 2328 1 5 . 1 1 52 52 CYS N N 52 123.532 123.532 126.287 -2.755 25933 2329 1 5 . 1 1 52 52 CYS HA H 52 4.049 4.049 4.551 -0.502 25933 2330 1 5 . 1 1 52 52 CYS C C 52 177.807 177.807 176.242 1.565 25933 2331 1 5 . 1 1 52 52 CYS CA C 52 58.257 58.257 59.196 -0.939 25933 2332 1 5 . 1 1 52 52 CYS CB C 52 31.165 31.165 27.120 4.045 25933 2333 1 5 . 1 1 52 52 CYS H H 52 9.344 9.344 9.197 0.147 25933 2334 1 5 . 1 1 53 53 ASP N N 53 134.328 134.328 128.987 5.341 25933 2335 1 5 . 1 1 53 53 ASP HA H 53 4.190 4.190 4.412 -0.222 25933 2336 1 5 . 1 1 53 53 ASP C C 53 176.732 176.732 176.648 0.084 25933 2337 1 5 . 1 1 53 53 ASP CA C 53 57.384 57.384 56.772 0.612 25933 2338 1 5 . 1 1 53 53 ASP CB C 53 41.122 41.122 41.044 0.078 25933 2339 1 5 . 1 1 53 53 ASP H H 53 9.185 9.185 8.858 0.327 25933 2340 1 5 . 1 1 54 54 VAL N N 54 119.653 119.653 119.654 -0.001 25933 2341 1 5 . 1 1 54 54 VAL HA H 54 3.877 3.877 3.956 -0.079 25933 2342 1 5 . 1 1 54 54 VAL C C 54 177.243 177.243 176.742 0.501 25933 2343 1 5 . 1 1 54 54 VAL CA C 54 65.092 65.092 64.899 0.193 25933 2344 1 5 . 1 1 54 54 VAL CB C 54 33.012 33.012 32.395 0.617 25933 2345 1 5 . 1 1 54 54 VAL H H 54 8.796 8.796 8.067 0.729 25933 2346 1 5 . 1 1 55 55 CYS N N 55 115.992 115.992 114.354 1.638 25933 2347 1 5 . 1 1 55 55 CYS HA H 55 5.112 5.112 4.999 0.113 25933 2348 1 5 . 1 1 55 55 CYS C C 55 176.818 176.818 176.125 0.693 25933 2349 1 5 . 1 1 55 55 CYS CA C 55 58.337 58.337 58.200 0.137 25933 2350 1 5 . 1 1 55 55 CYS CB C 55 34.324 34.324 30.778 3.546 25933 2351 1 5 . 1 1 55 55 CYS H H 55 7.604 7.604 8.094 -0.490 25933 2352 1 5 . 1 1 56 56 GLY N N 56 114.227 114.227 111.120 3.107 25933 2353 1 5 . 1 1 56 56 GLY C C 56 173.824 173.824 174.016 -0.192 25933 2354 1 5 . 1 1 56 56 GLY CA C 56 46.409 46.409 45.295 1.114 25933 2355 1 5 . 1 1 56 56 GLY H H 56 8.548 8.548 8.659 -0.111 25933 2356 1 5 . 1 1 57 57 LYS N N 57 122.126 122.126 120.575 1.551 25933 2357 1 5 . 1 1 57 57 LYS HA H 57 4.412 4.412 4.351 0.061 25933 2358 1 5 . 1 1 57 57 LYS C C 57 175.055 175.055 175.704 -0.649 25933 2359 1 5 . 1 1 57 57 LYS CA C 57 56.717 56.717 55.551 1.166 25933 2360 1 5 . 1 1 57 57 LYS CB C 57 33.143 33.143 33.550 -0.407 25933 2361 1 5 . 1 1 57 57 LYS H H 57 8.314 8.314 7.421 0.893 25933 2362 1 5 . 1 1 58 58 GLU N N 58 120.782 120.782 119.924 0.858 25933 2363 1 5 . 1 1 58 58 GLU HA H 58 4.153 4.153 4.174 -0.021 25933 2364 1 5 . 1 1 58 58 GLU C C 58 176.662 176.662 176.166 0.496 25933 2365 1 5 . 1 1 58 58 GLU CA C 58 57.913 57.913 57.396 0.517 25933 2366 1 5 . 1 1 58 58 GLU CB C 58 29.825 29.825 29.976 -0.151 25933 2367 1 5 . 1 1 58 58 GLU H H 58 8.502 8.502 8.597 -0.095 25933 2368 1 5 . 1 1 59 59 ALA N N 59 127.052 127.052 128.917 -1.865 25933 2369 1 5 . 1 1 59 59 ALA HA H 59 3.402 3.402 4.417 -1.015 25933 2370 1 5 . 1 1 59 59 ALA C C 59 175.529 175.529 176.003 -0.474 25933 2371 1 5 . 1 1 59 59 ALA CA C 59 52.238 52.238 51.752 0.486 25933 2372 1 5 . 1 1 59 59 ALA CB C 59 19.006 19.006 19.840 -0.834 25933 2373 1 5 . 1 1 59 59 ALA H H 59 7.812 7.812 8.534 -0.722 25933 2374 1 5 . 1 1 60 60 ALA N N 60 122.703 122.703 125.124 -2.421 25933 2375 1 5 . 1 1 60 60 ALA HA H 60 4.473 4.473 4.456 0.017 25933 2376 1 5 . 1 1 60 60 ALA C C 60 176.087 176.087 176.762 -0.675 25933 2377 1 5 . 1 1 60 60 ALA CA C 60 51.930 51.930 52.504 -0.574 25933 2378 1 5 . 1 1 60 60 ALA CB C 60 23.146 23.146 20.372 2.774 25933 2379 1 5 . 1 1 60 60 ALA H H 60 8.356 8.356 8.491 -0.135 25933 2380 1 5 . 1 1 61 61 SER N N 61 114.279 114.279 114.316 -0.037 25933 2381 1 5 . 1 1 61 61 SER HA H 61 4.637 4.637 4.132 0.505 25933 2382 1 5 . 1 1 61 61 SER C C 61 171.865 171.865 172.588 -0.723 25933 2383 1 5 . 1 1 61 61 SER CA C 61 58.060 58.060 56.642 1.417 25933 2384 1 5 . 1 1 61 61 SER CB C 61 66.719 66.719 64.834 1.885 25933 2385 1 5 . 1 1 61 61 SER H H 61 7.427 7.427 7.549 -0.122 25933 2386 1 5 . 1 1 62 62 PHE N N 62 123.075 123.075 119.874 3.201 25933 2387 1 5 . 1 1 62 62 PHE HA H 62 4.342 4.342 4.491 -0.149 25933 2388 1 5 . 1 1 62 62 PHE C C 62 174.547 174.547 175.458 -0.911 25933 2389 1 5 . 1 1 62 62 PHE CA C 62 57.701 57.701 55.995 1.706 25933 2390 1 5 . 1 1 62 62 PHE CB C 62 41.207 41.207 41.092 0.115 25933 2391 1 5 . 1 1 62 62 PHE H H 62 8.193 8.193 7.806 0.387 25933 2392 1 5 . 1 1 63 63 CYS N N 63 126.326 126.326 125.376 0.950 25933 2393 1 5 . 1 1 63 63 CYS HA H 63 4.297 4.297 4.656 -0.359 25933 2394 1 5 . 1 1 63 63 CYS C C 63 176.289 176.289 176.570 -0.281 25933 2395 1 5 . 1 1 63 63 CYS CA C 63 61.098 61.098 58.733 2.365 25933 2396 1 5 . 1 1 63 63 CYS CB C 63 29.621 29.621 27.820 1.801 25933 2397 1 5 . 1 1 63 63 CYS H H 63 9.106 9.106 8.802 0.304 25933 2398 1 5 . 1 1 64 64 GLU N N 64 124.601 124.601 130.005 -5.404 25933 2399 1 5 . 1 1 64 64 GLU HA H 64 4.887 4.887 4.781 0.106 25933 2400 1 5 . 1 1 64 64 GLU C C 64 177.682 177.682 176.366 1.316 25933 2401 1 5 . 1 1 64 64 GLU CA C 64 58.619 58.619 57.076 1.543 25933 2402 1 5 . 1 1 64 64 GLU CB C 64 30.567 30.567 29.550 1.017 25933 2403 1 5 . 1 1 64 64 GLU H H 64 8.911 8.911 9.289 -0.378 25933 2404 1 5 . 1 1 65 65 MET N N 65 121.669 121.669 115.771 5.898 25933 2405 1 5 . 1 1 65 65 MET HA H 65 4.536 4.536 4.736 -0.200 25933 2406 1 5 . 1 1 65 65 MET C C 65 173.906 173.906 175.144 -1.238 25933 2407 1 5 . 1 1 65 65 MET CA C 65 56.157 56.157 55.378 0.779 25933 2408 1 5 . 1 1 65 65 MET CB C 65 33.770 33.770 35.858 -2.088 25933 2409 1 5 . 1 1 65 65 MET H H 65 9.972 9.972 7.857 2.115 25933 2410 1 5 . 1 1 66 66 CYS N N 66 127.827 127.827 114.705 13.122 25933 2411 1 5 . 1 1 66 66 CYS HA H 66 3.424 3.424 4.856 -1.432 25933 2412 1 5 . 1 1 66 66 CYS CA C 66 57.581 57.581 57.070 0.511 25933 2413 1 5 . 1 1 66 66 CYS CB C 66 29.900 29.900 28.059 1.841 25933 2414 1 5 . 1 1 66 66 CYS H H 66 8.286 8.286 7.818 0.468 25933 2415 1 5 . 1 1 67 67 PRO HA H 67 4.660 4.660 4.420 0.239 25933 2416 1 5 . 1 1 67 67 PRO C C 67 176.387 176.387 176.111 0.276 25933 2417 1 5 . 1 1 67 67 PRO CA C 67 64.462 64.462 63.481 0.981 25933 2418 1 5 . 1 1 67 67 PRO CB C 67 31.018 31.018 31.432 -0.414 25933 2419 1 5 . 1 1 68 68 SER N N 68 122.983 122.983 117.307 5.676 25933 2420 1 5 . 1 1 68 68 SER HA H 68 5.148 5.148 4.475 0.673 25933 2421 1 5 . 1 1 68 68 SER C C 68 173.421 173.421 173.379 0.042 25933 2422 1 5 . 1 1 68 68 SER CA C 68 59.799 59.799 58.169 1.630 25933 2423 1 5 . 1 1 68 68 SER CB C 68 64.047 64.047 63.088 0.959 25933 2424 1 5 . 1 1 68 68 SER H H 68 8.864 8.864 7.745 1.119 25933 2425 1 5 . 1 1 69 69 SER N N 69 115.147 115.147 120.725 -5.578 25933 2426 1 5 . 1 1 69 69 SER HA H 69 4.443 4.443 4.617 -0.174 25933 2427 1 5 . 1 1 69 69 SER C C 69 171.436 171.436 172.586 -1.150 25933 2428 1 5 . 1 1 69 69 SER CA C 69 56.585 56.585 56.825 -0.240 25933 2429 1 5 . 1 1 69 69 SER CB C 69 63.959 63.959 65.589 -1.630 25933 2430 1 5 . 1 1 69 69 SER H H 69 7.874 7.874 7.907 -0.033 25933 2431 1 5 . 1 1 70 70 PHE N N 70 112.477 112.477 116.908 -4.431 25933 2432 1 5 . 1 1 70 70 PHE HA H 70 6.052 6.052 5.036 1.016 25933 2433 1 5 . 1 1 70 70 PHE C C 70 176.905 176.905 175.833 1.072 25933 2434 1 5 . 1 1 70 70 PHE CA C 70 57.026 57.026 56.800 0.226 25933 2435 1 5 . 1 1 70 70 PHE CB C 70 45.774 45.774 43.460 2.314 25933 2436 1 5 . 1 1 70 70 PHE H H 70 8.192 8.192 8.565 -0.373 25933 2437 1 5 . 1 1 71 71 CYS N N 71 121.843 121.843 118.987 2.856 25933 2438 1 5 . 1 1 71 71 CYS HA H 71 4.806 4.806 5.020 -0.214 25933 2439 1 5 . 1 1 71 71 CYS C C 71 174.332 174.332 175.889 -1.557 25933 2440 1 5 . 1 1 71 71 CYS CA C 71 58.618 58.618 56.733 1.885 25933 2441 1 5 . 1 1 71 71 CYS CB C 71 30.249 30.249 30.311 -0.062 25933 2442 1 5 . 1 1 71 71 CYS H H 71 9.511 9.511 8.680 0.831 25933 2443 1 5 . 1 1 72 72 LYS N N 72 118.091 118.091 119.573 -1.482 25933 2444 1 5 . 1 1 72 72 LYS HA H 72 3.679 3.679 3.905 -0.226 25933 2445 1 5 . 1 1 72 72 LYS C C 72 177.831 177.831 179.356 -1.525 25933 2446 1 5 . 1 1 72 72 LYS CA C 72 60.445 60.445 59.814 0.631 25933 2447 1 5 . 1 1 72 72 LYS CB C 72 32.277 32.277 32.048 0.229 25933 2448 1 5 . 1 1 72 72 LYS H H 72 8.804 8.804 8.681 0.123 25933 2449 1 5 . 1 1 73 73 GLN N N 73 118.381 118.381 117.521 0.860 25933 2450 1 5 . 1 1 73 73 GLN HA H 73 4.078 4.078 4.031 0.047 25933 2451 1 5 . 1 1 73 73 GLN C C 73 177.491 177.491 177.600 -0.109 25933 2452 1 5 . 1 1 73 73 GLN CA C 73 57.894 57.894 58.252 -0.358 25933 2453 1 5 . 1 1 73 73 GLN CB C 73 28.754 28.754 28.887 -0.133 25933 2454 1 5 . 1 1 73 73 GLN H H 73 8.139 8.139 7.728 0.411 25933 2455 1 5 . 1 1 74 74 HIS N N 74 117.140 117.140 114.820 2.320 25933 2456 1 5 . 1 1 74 74 HIS HA H 74 5.015 5.015 4.688 0.327 25933 2457 1 5 . 1 1 74 74 HIS C C 74 174.206 174.206 175.748 -1.542 25933 2458 1 5 . 1 1 74 74 HIS CA C 74 57.692 57.692 56.062 1.630 25933 2459 1 5 . 1 1 74 74 HIS CB C 74 32.739 32.739 29.776 2.963 25933 2460 1 5 . 1 1 74 74 HIS H H 74 7.628 7.628 7.464 0.164 25933 2461 1 5 . 1 1 75 75 ARG N N 75 115.977 115.977 118.358 -2.381 25933 2462 1 5 . 1 1 75 75 ARG HA H 75 3.699 3.699 4.234 -0.535 25933 2463 1 5 . 1 1 75 75 ARG C C 75 176.493 176.493 175.935 0.558 25933 2464 1 5 . 1 1 75 75 ARG CA C 75 57.925 57.925 57.819 0.106 25933 2465 1 5 . 1 1 75 75 ARG CB C 75 30.179 30.179 30.508 -0.329 25933 2466 1 5 . 1 1 75 75 ARG H H 75 7.415 7.415 7.773 -0.358 25933 2467 1 5 . 1 1 76 76 GLU N N 76 123.649 123.649 120.967 2.682 25933 2468 1 5 . 1 1 76 76 GLU HA H 76 3.955 3.955 4.080 -0.125 25933 2469 1 5 . 1 1 76 76 GLU C C 76 177.401 177.401 177.273 0.128 25933 2470 1 5 . 1 1 76 76 GLU CA C 76 58.208 58.208 57.477 0.731 25933 2471 1 5 . 1 1 76 76 GLU CB C 76 28.668 28.668 29.598 -0.930 25933 2472 1 5 . 1 1 76 76 GLU H H 76 8.094 8.094 7.658 0.436 25933 2473 1 5 . 1 1 77 77 GLY N N 77 114.787 114.787 113.916 0.871 25933 2474 1 5 . 1 1 77 77 GLY C C 77 174.193 174.193 174.838 -0.645 25933 2475 1 5 . 1 1 77 77 GLY CA C 77 45.502 45.502 46.453 -0.951 25933 2476 1 5 . 1 1 77 77 GLY H H 77 8.831 8.831 9.068 -0.237 25933 2477 1 5 . 1 1 78 78 MET N N 78 115.494 115.494 118.238 -2.744 25933 2478 1 5 . 1 1 78 78 MET HA H 78 4.608 4.608 4.550 0.058 25933 2479 1 5 . 1 1 78 78 MET C C 78 175.808 175.808 175.235 0.573 25933 2480 1 5 . 1 1 78 78 MET CA C 78 53.865 53.865 55.005 -1.140 25933 2481 1 5 . 1 1 78 78 MET CB C 78 33.146 33.146 33.939 -0.793 25933 2482 1 5 . 1 1 78 78 MET H H 78 7.320 7.320 7.459 -0.139 25933 2483 1 5 . 1 1 79 79 LEU N N 79 116.112 116.112 119.899 -3.787 25933 2484 1 5 . 1 1 79 79 LEU HA H 79 5.083 5.083 4.749 0.334 25933 2485 1 5 . 1 1 79 79 LEU C C 79 175.580 175.580 174.533 1.047 25933 2486 1 5 . 1 1 79 79 LEU CA C 79 52.710 52.710 53.940 -1.230 25933 2487 1 5 . 1 1 79 79 LEU CB C 79 46.268 46.268 45.390 0.878 25933 2488 1 5 . 1 1 79 79 LEU H H 79 6.783 6.783 7.827 -1.044 25933 2489 1 5 . 1 1 80 80 PHE N N 80 121.484 121.484 120.984 0.500 25933 2490 1 5 . 1 1 80 80 PHE HA H 80 4.773 4.773 4.927 -0.154 25933 2491 1 5 . 1 1 80 80 PHE C C 80 174.354 174.354 173.512 0.842 25933 2492 1 5 . 1 1 80 80 PHE CA C 80 56.225 56.225 55.698 0.527 25933 2493 1 5 . 1 1 80 80 PHE CB C 80 42.377 42.377 41.328 1.048 25933 2494 1 5 . 1 1 80 80 PHE H H 80 9.296 9.296 8.188 1.108 25933 2495 1 5 . 1 1 81 81 ILE N N 81 123.854 123.854 120.997 2.857 25933 2496 1 5 . 1 1 81 81 ILE HA H 81 4.088 4.088 4.698 -0.610 25933 2497 1 5 . 1 1 81 81 ILE C C 81 176.829 176.829 176.234 0.595 25933 2498 1 5 . 1 1 81 81 ILE CA C 81 60.636 60.636 60.651 -0.015 25933 2499 1 5 . 1 1 81 81 ILE CB C 81 37.486 37.486 37.324 0.162 25933 2500 1 5 . 1 1 81 81 ILE H H 81 8.798 8.798 8.444 0.354 25933 2501 1 5 . 1 1 82 82 SER N N 82 124.730 124.730 122.268 2.462 25933 2502 1 5 . 1 1 82 82 SER HA H 82 4.530 4.530 4.802 -0.272 25933 2503 1 5 . 1 1 82 82 SER C C 82 177.460 177.460 175.113 2.347 25933 2504 1 5 . 1 1 82 82 SER CA C 82 58.180 58.180 57.243 0.937 25933 2505 1 5 . 1 1 82 82 SER CB C 82 64.054 64.054 64.394 -0.340 25933 2506 1 5 . 1 1 82 82 SER H H 82 8.898 8.898 9.000 -0.102 25933 2507 1 5 . 1 1 83 83 LYS N N 83 129.518 129.518 128.135 1.383 25933 2508 1 5 . 1 1 83 83 LYS HA H 83 4.198 4.198 4.211 -0.013 25933 2509 1 5 . 1 1 83 83 LYS C C 83 177.173 177.173 177.009 0.164 25933 2510 1 5 . 1 1 83 83 LYS CA C 83 57.848 57.848 58.373 -0.525 25933 2511 1 5 . 1 1 83 83 LYS CB C 83 32.376 32.376 32.232 0.144 25933 2512 1 5 . 1 1 83 83 LYS H H 83 9.269 9.269 8.918 0.351 25933 2513 1 5 . 1 1 84 84 LEU N N 84 120.539 120.539 120.162 0.377 25933 2514 1 5 . 1 1 84 84 LEU HA H 84 4.284 4.284 4.123 0.161 25933 2515 1 5 . 1 1 84 84 LEU C C 84 178.443 178.443 178.405 0.038 25933 2516 1 5 . 1 1 84 84 LEU CA C 84 56.827 56.827 57.248 -0.421 25933 2517 1 5 . 1 1 84 84 LEU CB C 84 41.901 41.901 42.263 -0.362 25933 2518 1 5 . 1 1 84 84 LEU H H 84 8.364 8.364 7.661 0.703 25933 2519 1 5 . 1 1 85 85 ASP N N 85 114.333 114.333 114.492 -0.159 25933 2520 1 5 . 1 1 85 85 ASP HA H 85 4.737 4.737 4.807 -0.070 25933 2521 1 5 . 1 1 85 85 ASP C C 85 177.413 177.413 177.282 0.131 25933 2522 1 5 . 1 1 85 85 ASP CA C 85 53.056 53.056 53.907 -0.851 25933 2523 1 5 . 1 1 85 85 ASP CB C 85 42.065 42.065 42.967 -0.902 25933 2524 1 5 . 1 1 85 85 ASP H H 85 7.326 7.326 8.083 -0.757 25933 2525 1 5 . 1 1 86 86 GLY N N 86 108.607 108.607 109.844 -1.237 25933 2526 1 5 . 1 1 86 86 GLY C C 86 174.036 174.036 174.201 -0.165 25933 2527 1 5 . 1 1 86 86 GLY CA C 86 46.037 46.037 45.730 0.306 25933 2528 1 5 . 1 1 86 86 GLY H H 86 7.901 7.901 8.491 -0.590 25933 2529 1 5 . 1 1 87 87 ARG N N 87 120.598 120.598 118.931 1.667 25933 2530 1 5 . 1 1 87 87 ARG HA H 87 4.345 4.345 4.738 -0.393 25933 2531 1 5 . 1 1 87 87 ARG C C 87 175.968 175.968 176.209 -0.241 25933 2532 1 5 . 1 1 87 87 ARG CA C 87 56.810 56.810 54.577 2.233 25933 2533 1 5 . 1 1 87 87 ARG CB C 87 31.934 31.934 32.206 -0.272 25933 2534 1 5 . 1 1 87 87 ARG H H 87 7.948 7.948 7.588 0.360 25933 2535 1 5 . 1 1 88 88 LEU N N 88 126.752 126.752 124.047 2.705 25933 2536 1 5 . 1 1 88 88 LEU HA H 88 4.576 4.576 4.687 -0.111 25933 2537 1 5 . 1 1 88 88 LEU C C 88 176.060 176.060 175.854 0.206 25933 2538 1 5 . 1 1 88 88 LEU CA C 88 55.558 55.558 55.306 0.252 25933 2539 1 5 . 1 1 88 88 LEU CB C 88 42.815 42.815 41.721 1.094 25933 2540 1 5 . 1 1 88 88 LEU H H 88 8.968 8.968 8.864 0.104 25933 2541 1 5 . 1 1 89 89 SER N N 89 118.859 118.859 119.815 -0.956 25933 2542 1 5 . 1 1 89 89 SER HA H 89 6.146 6.146 5.166 0.980 25933 2543 1 5 . 1 1 89 89 SER C C 89 174.338 174.338 173.727 0.611 25933 2544 1 5 . 1 1 89 89 SER CA C 89 56.311 56.311 56.216 0.095 25933 2545 1 5 . 1 1 89 89 SER CB C 89 67.072 67.072 65.625 1.447 25933 2546 1 5 . 1 1 89 89 SER H H 89 9.083 9.083 8.885 0.198 25933 2547 1 5 . 1 1 90 90 CYS N N 90 128.907 128.907 124.409 4.498 25933 2548 1 5 . 1 1 90 90 CYS HA H 90 5.815 5.815 5.463 0.352 25933 2549 1 5 . 1 1 90 90 CYS C C 90 176.386 176.386 177.239 -0.853 25933 2550 1 5 . 1 1 90 90 CYS CA C 90 58.908 58.908 56.144 2.764 25933 2551 1 5 . 1 1 90 90 CYS CB C 90 29.444 29.444 29.926 -0.482 25933 2552 1 5 . 1 1 90 90 CYS H H 90 10.389 10.389 8.368 2.021 25933 2553 1 5 . 1 1 91 91 THR N N 91 108.692 108.692 112.159 -3.467 25933 2554 1 5 . 1 1 91 91 THR HA H 91 4.398 4.398 4.453 -0.055 25933 2555 1 5 . 1 1 91 91 THR C C 91 175.912 175.912 175.298 0.614 25933 2556 1 5 . 1 1 91 91 THR CA C 91 63.576 63.576 63.778 -0.202 25933 2557 1 5 . 1 1 91 91 THR CB C 91 69.172 69.172 68.375 0.797 25933 2558 1 5 . 1 1 91 91 THR H H 91 8.435 8.435 8.482 -0.047 25933 2559 1 5 . 1 1 92 92 GLU N N 92 123.418 123.418 119.380 4.038 25933 2560 1 5 . 1 1 92 92 GLU HA H 92 4.280 4.280 4.341 -0.061 25933 2561 1 5 . 1 1 92 92 GLU C C 92 175.937 175.937 176.538 -0.601 25933 2562 1 5 . 1 1 92 92 GLU CA C 92 56.582 56.582 56.679 -0.097 25933 2563 1 5 . 1 1 92 92 GLU CB C 92 28.887 28.887 29.301 -0.414 25933 2564 1 5 . 1 1 92 92 GLU H H 92 8.626 8.626 7.780 0.846 25933 2565 1 5 . 1 1 93 93 HIS N N 93 117.178 117.178 118.268 -1.090 25933 2566 1 5 . 1 1 93 93 HIS HA H 93 4.789 4.789 4.834 -0.045 25933 2567 1 5 . 1 1 93 93 HIS C C 93 174.016 174.016 174.587 -0.571 25933 2568 1 5 . 1 1 93 93 HIS CA C 93 54.275 54.275 54.258 0.017 25933 2569 1 5 . 1 1 93 93 HIS CB C 93 29.373 29.373 29.025 0.348 25933 2570 1 5 . 1 1 93 93 HIS H H 93 7.244 7.244 7.513 -0.269 25933 2571 1 6 . 1 1 2 2 ALA N N 2 124.503 124.503 123.460 1.043 25933 2572 1 6 . 1 1 2 2 ALA HA H 2 4.337 4.337 4.360 -0.023 25933 2573 1 6 . 1 1 2 2 ALA C C 2 177.688 177.688 176.878 0.810 25933 2574 1 6 . 1 1 2 2 ALA CA C 2 52.598 52.598 52.161 0.437 25933 2575 1 6 . 1 1 2 2 ALA CB C 2 19.375 19.375 17.278 2.097 25933 2576 1 6 . 1 1 2 2 ALA H H 2 8.639 8.639 8.517 0.122 25933 2577 1 6 . 1 1 3 3 MET N N 3 120.183 120.183 120.084 0.099 25933 2578 1 6 . 1 1 3 3 MET HA H 3 4.402 4.402 4.351 0.051 25933 2579 1 6 . 1 1 3 3 MET C C 3 176.072 176.072 177.314 -1.242 25933 2580 1 6 . 1 1 3 3 MET CA C 3 55.636 55.636 58.169 -2.533 25933 2581 1 6 . 1 1 3 3 MET CB C 3 32.936 32.936 33.091 -0.155 25933 2582 1 6 . 1 1 3 3 MET H H 3 8.483 8.483 8.075 0.408 25933 2583 1 6 . 1 1 4 4 GLU N N 4 123.573 123.573 116.323 7.250 25933 2584 1 6 . 1 1 4 4 GLU HA H 4 4.255 4.255 4.522 -0.267 25933 2585 1 6 . 1 1 4 4 GLU C C 4 175.719 175.719 176.408 -0.689 25933 2586 1 6 . 1 1 4 4 GLU CA C 4 56.516 56.516 56.585 -0.069 25933 2587 1 6 . 1 1 4 4 GLU CB C 4 30.209 30.209 31.744 -1.535 25933 2588 1 6 . 1 1 4 4 GLU H H 4 8.417 8.417 8.527 -0.110 25933 2589 1 6 . 1 1 5 5 ARG N N 5 121.879 121.879 119.085 2.794 25933 2590 1 6 . 1 1 5 5 ARG HA H 5 4.327 4.327 4.681 -0.354 25933 2591 1 6 . 1 1 5 5 ARG C C 5 175.991 175.991 174.810 1.181 25933 2592 1 6 . 1 1 5 5 ARG CA C 5 55.879 55.879 54.841 1.038 25933 2593 1 6 . 1 1 5 5 ARG CB C 5 31.336 31.336 32.660 -1.324 25933 2594 1 6 . 1 1 5 5 ARG H H 5 8.099 8.099 8.098 0.001 25933 2595 1 6 . 1 1 6 6 GLU N N 6 124.508 124.508 123.317 1.191 25933 2596 1 6 . 1 1 6 6 GLU HA H 6 4.245 4.245 4.104 0.141 25933 2597 1 6 . 1 1 6 6 GLU C C 6 174.941 174.941 175.965 -1.024 25933 2598 1 6 . 1 1 6 6 GLU CA C 6 56.775 56.775 56.543 0.232 25933 2599 1 6 . 1 1 6 6 GLU CB C 6 30.421 30.421 30.448 -0.027 25933 2600 1 6 . 1 1 6 6 GLU H H 6 8.560 8.560 8.593 -0.033 25933 2601 1 6 . 1 1 7 7 ASP N N 7 117.067 117.067 121.808 -4.741 25933 2602 1 6 . 1 1 7 7 ASP HA H 7 4.520 4.520 4.784 -0.264 25933 2603 1 6 . 1 1 7 7 ASP C C 7 174.744 174.744 174.521 0.223 25933 2604 1 6 . 1 1 7 7 ASP CA C 7 53.697 53.697 54.418 -0.721 25933 2605 1 6 . 1 1 7 7 ASP CB C 7 42.222 42.222 41.171 1.051 25933 2606 1 6 . 1 1 7 7 ASP H H 7 8.237 8.237 8.478 -0.241 25933 2607 1 6 . 1 1 8 8 GLU N N 8 116.268 116.268 118.648 -2.380 25933 2608 1 6 . 1 1 8 8 GLU HA H 8 4.083 4.083 4.431 -0.348 25933 2609 1 6 . 1 1 8 8 GLU C C 8 173.257 173.257 173.928 -0.671 25933 2610 1 6 . 1 1 8 8 GLU CA C 8 54.382 54.382 54.967 -0.585 25933 2611 1 6 . 1 1 8 8 GLU CB C 8 32.438 32.438 32.567 -0.129 25933 2612 1 6 . 1 1 8 8 GLU H H 8 7.005 7.005 7.368 -0.363 25933 2613 1 6 . 1 1 9 9 CYS N N 9 124.211 124.211 125.242 -1.031 25933 2614 1 6 . 1 1 9 9 CYS HA H 9 4.157 4.157 4.676 -0.519 25933 2615 1 6 . 1 1 9 9 CYS C C 9 178.384 178.384 175.905 2.479 25933 2616 1 6 . 1 1 9 9 CYS CA C 9 57.640 57.640 57.968 -0.328 25933 2617 1 6 . 1 1 9 9 CYS CB C 9 31.396 31.396 26.171 5.226 25933 2618 1 6 . 1 1 9 9 CYS H H 9 8.220 8.220 8.600 -0.380 25933 2619 1 6 . 1 1 10 10 PHE N N 10 131.759 131.759 128.639 3.120 25933 2620 1 6 . 1 1 10 10 PHE HA H 10 4.695 4.695 4.107 0.588 25933 2621 1 6 . 1 1 10 10 PHE C C 10 176.194 176.194 175.903 0.291 25933 2622 1 6 . 1 1 10 10 PHE CA C 10 55.935 55.935 60.820 -4.885 25933 2623 1 6 . 1 1 10 10 PHE CB C 10 38.279 38.279 39.401 -1.122 25933 2624 1 6 . 1 1 10 10 PHE H H 10 8.765 8.765 8.250 0.515 25933 2625 1 6 . 1 1 11 11 SER N N 11 114.027 114.027 114.199 -0.172 25933 2626 1 6 . 1 1 11 11 SER HA H 11 4.331 4.331 4.278 0.053 25933 2627 1 6 . 1 1 11 11 SER C C 11 175.836 175.836 175.019 0.817 25933 2628 1 6 . 1 1 11 11 SER CA C 11 61.956 61.956 60.562 1.394 25933 2629 1 6 . 1 1 11 11 SER CB C 11 63.774 63.774 63.281 0.493 25933 2630 1 6 . 1 1 11 11 SER H H 11 8.686 8.686 8.243 0.443 25933 2631 1 6 . 1 1 12 12 CYS N N 12 118.224 118.224 117.454 0.770 25933 2632 1 6 . 1 1 12 12 CYS HA H 12 5.121 5.121 4.816 0.304 25933 2633 1 6 . 1 1 12 12 CYS C C 12 176.817 176.817 175.712 1.105 25933 2634 1 6 . 1 1 12 12 CYS CA C 12 58.693 58.693 59.060 -0.367 25933 2635 1 6 . 1 1 12 12 CYS CB C 12 32.837 32.837 30.700 2.137 25933 2636 1 6 . 1 1 12 12 CYS H H 12 8.195 8.195 7.473 0.722 25933 2637 1 6 . 1 1 13 13 GLY N N 13 114.509 114.509 109.068 5.441 25933 2638 1 6 . 1 1 13 13 GLY C C 13 173.093 173.093 173.467 -0.374 25933 2639 1 6 . 1 1 13 13 GLY CA C 13 46.346 46.346 45.290 1.056 25933 2640 1 6 . 1 1 13 13 GLY H H 13 8.385 8.385 8.657 -0.272 25933 2641 1 6 . 1 1 14 14 ASP N N 14 122.123 122.123 120.774 1.349 25933 2642 1 6 . 1 1 14 14 ASP HA H 14 5.294 5.294 4.941 0.353 25933 2643 1 6 . 1 1 14 14 ASP C C 14 176.111 176.111 174.786 1.325 25933 2644 1 6 . 1 1 14 14 ASP CA C 14 53.304 53.304 53.797 -0.493 25933 2645 1 6 . 1 1 14 14 ASP CB C 14 43.175 43.175 43.849 -0.674 25933 2646 1 6 . 1 1 14 14 ASP H H 14 8.512 8.512 7.778 0.734 25933 2647 1 6 . 1 1 15 15 ALA N N 15 123.765 123.765 123.530 0.235 25933 2648 1 6 . 1 1 15 15 ALA HA H 15 4.679 4.679 4.506 0.173 25933 2649 1 6 . 1 1 15 15 ALA C C 15 177.375 177.375 176.794 0.581 25933 2650 1 6 . 1 1 15 15 ALA CA C 15 51.216 51.216 51.529 -0.313 25933 2651 1 6 . 1 1 15 15 ALA CB C 15 19.842 19.842 20.857 -1.015 25933 2652 1 6 . 1 1 15 15 ALA H H 15 8.538 8.538 8.422 0.116 25933 2653 1 6 . 1 1 16 16 GLY N N 16 108.898 108.898 108.581 0.317 25933 2654 1 6 . 1 1 16 16 GLY C C 16 172.132 172.132 173.393 -1.261 25933 2655 1 6 . 1 1 16 16 GLY CA C 16 45.320 45.320 44.757 0.563 25933 2656 1 6 . 1 1 16 16 GLY H H 16 8.304 8.304 8.246 0.058 25933 2657 1 6 . 1 1 17 17 GLN N N 17 125.473 125.473 120.422 5.051 25933 2658 1 6 . 1 1 17 17 GLN HA H 17 4.359 4.359 4.052 0.307 25933 2659 1 6 . 1 1 17 17 GLN C C 17 175.263 175.263 174.132 1.131 25933 2660 1 6 . 1 1 17 17 GLN CA C 17 55.779 55.779 56.260 -0.481 25933 2661 1 6 . 1 1 17 17 GLN CB C 17 27.927 27.927 28.658 -0.731 25933 2662 1 6 . 1 1 17 17 GLN H H 17 8.887 8.887 8.452 0.435 25933 2663 1 6 . 1 1 18 18 LEU N N 18 127.246 127.246 122.554 4.692 25933 2664 1 6 . 1 1 18 18 LEU HA H 18 4.714 4.714 5.013 -0.299 25933 2665 1 6 . 1 1 18 18 LEU C C 18 177.078 177.078 176.306 0.772 25933 2666 1 6 . 1 1 18 18 LEU CA C 18 53.755 53.755 53.252 0.503 25933 2667 1 6 . 1 1 18 18 LEU CB C 18 44.191 44.191 43.690 0.501 25933 2668 1 6 . 1 1 18 18 LEU H H 18 8.322 8.322 7.981 0.341 25933 2669 1 6 . 1 1 19 19 VAL N N 19 121.280 121.280 122.585 -1.305 25933 2670 1 6 . 1 1 19 19 VAL HA H 19 4.547 4.547 4.458 0.089 25933 2671 1 6 . 1 1 19 19 VAL C C 19 175.238 175.238 174.088 1.150 25933 2672 1 6 . 1 1 19 19 VAL CA C 19 59.975 59.975 60.535 -0.560 25933 2673 1 6 . 1 1 19 19 VAL CB C 19 33.809 33.809 34.987 -1.179 25933 2674 1 6 . 1 1 19 19 VAL H H 19 9.789 9.789 9.145 0.644 25933 2675 1 6 . 1 1 20 20 SER N N 20 118.562 118.562 122.622 -4.060 25933 2676 1 6 . 1 1 20 20 SER HA H 20 5.062 5.062 4.789 0.273 25933 2677 1 6 . 1 1 20 20 SER C C 20 174.439 174.439 173.812 0.627 25933 2678 1 6 . 1 1 20 20 SER CA C 20 57.132 57.132 57.167 -0.035 25933 2679 1 6 . 1 1 20 20 SER CB C 20 64.811 64.811 64.969 -0.158 25933 2680 1 6 . 1 1 20 20 SER H H 20 8.638 8.638 8.365 0.273 25933 2681 1 6 . 1 1 21 21 CYS N N 21 125.432 125.432 122.918 2.514 25933 2682 1 6 . 1 1 21 21 CYS HA H 21 4.311 4.311 4.582 -0.271 25933 2683 1 6 . 1 1 21 21 CYS CA C 21 61.656 61.656 59.680 1.976 25933 2684 1 6 . 1 1 21 21 CYS CB C 21 31.029 31.029 27.440 3.589 25933 2685 1 6 . 1 1 21 21 CYS H H 21 8.132 8.132 8.564 -0.432 25933 2686 1 6 . 1 1 22 22 LYS N N 22 125.587 125.587 126.370 -0.783 25933 2687 1 6 . 1 1 22 22 LYS HA H 22 4.648 4.648 4.405 0.243 25933 2688 1 6 . 1 1 22 22 LYS C C 22 177.460 177.460 175.733 1.727 25933 2689 1 6 . 1 1 22 22 LYS H H 22 8.294 8.294 8.313 -0.019 25933 2690 1 6 . 1 1 23 23 LYS N N 23 130.703 130.703 119.863 10.840 25933 2691 1 6 . 1 1 23 23 LYS HA H 23 4.385 4.385 4.781 -0.396 25933 2692 1 6 . 1 1 23 23 LYS CA C 23 55.222 55.222 53.034 2.188 25933 2693 1 6 . 1 1 23 23 LYS CB C 23 33.949 33.949 33.592 0.357 25933 2694 1 6 . 1 1 23 23 LYS H H 23 9.496 9.496 7.776 1.720 25933 2695 1 6 . 1 1 24 24 PRO HA H 24 4.198 4.198 4.131 0.067 25933 2696 1 6 . 1 1 24 24 PRO C C 24 177.835 177.835 177.939 -0.104 25933 2697 1 6 . 1 1 24 24 PRO CA C 24 64.454 64.454 64.017 0.437 25933 2698 1 6 . 1 1 24 24 PRO CB C 24 31.420 31.420 31.580 -0.160 25933 2699 1 6 . 1 1 25 25 GLY N N 25 114.246 114.246 111.813 2.433 25933 2700 1 6 . 1 1 25 25 GLY C C 25 173.630 173.630 174.189 -0.559 25933 2701 1 6 . 1 1 25 25 GLY CA C 25 45.200 45.200 44.724 0.476 25933 2702 1 6 . 1 1 25 25 GLY H H 25 8.823 8.823 8.717 0.106 25933 2703 1 6 . 1 1 26 26 CYS N N 26 126.002 126.002 123.394 2.608 25933 2704 1 6 . 1 1 26 26 CYS HA H 26 5.014 5.014 4.995 0.019 25933 2705 1 6 . 1 1 26 26 CYS CA C 26 56.747 56.747 55.683 1.064 25933 2706 1 6 . 1 1 26 26 CYS CB C 26 32.711 32.711 27.314 5.397 25933 2707 1 6 . 1 1 26 26 CYS H H 26 8.076 8.076 7.816 0.260 25933 2708 1 6 . 1 1 27 27 PRO HA H 27 4.802 4.802 4.919 -0.117 25933 2709 1 6 . 1 1 27 27 PRO C C 27 175.970 175.970 175.391 0.579 25933 2710 1 6 . 1 1 27 27 PRO CA C 27 63.334 63.334 62.411 0.923 25933 2711 1 6 . 1 1 27 27 PRO CB C 27 32.920 32.920 31.526 1.394 25933 2712 1 6 . 1 1 28 28 LYS N N 28 121.413 121.413 118.996 2.417 25933 2713 1 6 . 1 1 28 28 LYS HA H 28 3.889 3.889 4.219 -0.330 25933 2714 1 6 . 1 1 28 28 LYS C C 28 175.961 175.961 174.745 1.216 25933 2715 1 6 . 1 1 28 28 LYS CA C 28 55.327 55.327 54.509 0.818 25933 2716 1 6 . 1 1 28 28 LYS CB C 28 32.132 32.132 34.211 -2.079 25933 2717 1 6 . 1 1 28 28 LYS H H 28 8.353 8.353 7.519 0.834 25933 2718 1 6 . 1 1 29 29 VAL N N 29 115.183 115.183 119.716 -4.533 25933 2719 1 6 . 1 1 29 29 VAL HA H 29 5.286 5.286 4.282 1.004 25933 2720 1 6 . 1 1 29 29 VAL C C 29 174.480 174.480 173.040 1.440 25933 2721 1 6 . 1 1 29 29 VAL CA C 29 58.616 58.616 59.913 -1.297 25933 2722 1 6 . 1 1 29 29 VAL CB C 29 35.526 35.526 35.528 -0.002 25933 2723 1 6 . 1 1 29 29 VAL H H 29 8.346 8.346 7.687 0.659 25933 2724 1 6 . 1 1 30 30 TYR N N 30 114.639 114.639 119.625 -4.986 25933 2725 1 6 . 1 1 30 30 TYR HA H 30 5.821 5.821 4.669 1.152 25933 2726 1 6 . 1 1 30 30 TYR C C 30 177.221 177.221 174.403 2.818 25933 2727 1 6 . 1 1 30 30 TYR CA C 30 56.989 56.989 56.374 0.615 25933 2728 1 6 . 1 1 30 30 TYR CB C 30 45.110 45.110 42.316 2.794 25933 2729 1 6 . 1 1 30 30 TYR H H 30 8.792 8.792 8.612 0.180 25933 2730 1 6 . 1 1 31 31 HIS N N 31 121.470 121.470 118.843 2.627 25933 2731 1 6 . 1 1 31 31 HIS HA H 31 4.890 4.890 5.011 -0.121 25933 2732 1 6 . 1 1 31 31 HIS C C 31 177.595 177.595 176.163 1.432 25933 2733 1 6 . 1 1 31 31 HIS CA C 31 58.141 58.141 55.561 2.580 25933 2734 1 6 . 1 1 31 31 HIS CB C 31 30.737 30.737 30.880 -0.143 25933 2735 1 6 . 1 1 31 31 HIS H H 31 9.164 9.164 8.239 0.925 25933 2736 1 6 . 1 1 32 32 ALA N N 32 129.786 129.786 126.880 2.906 25933 2737 1 6 . 1 1 32 32 ALA HA H 32 3.829 3.829 3.894 -0.065 25933 2738 1 6 . 1 1 32 32 ALA C C 32 180.494 180.494 178.231 2.263 25933 2739 1 6 . 1 1 32 32 ALA CA C 32 56.044 56.044 55.454 0.590 25933 2740 1 6 . 1 1 32 32 ALA CB C 32 17.179 17.179 18.836 -1.657 25933 2741 1 6 . 1 1 32 32 ALA H H 32 9.768 9.768 8.934 0.834 25933 2742 1 6 . 1 1 33 33 ASP N N 33 114.332 114.332 117.789 -3.457 25933 2743 1 6 . 1 1 33 33 ASP HA H 33 4.521 4.521 4.356 0.166 25933 2744 1 6 . 1 1 33 33 ASP C C 33 179.006 179.006 178.537 0.469 25933 2745 1 6 . 1 1 33 33 ASP CA C 33 56.541 56.541 57.615 -1.074 25933 2746 1 6 . 1 1 33 33 ASP CB C 33 40.316 40.316 40.809 -0.493 25933 2747 1 6 . 1 1 33 33 ASP H H 33 8.832 8.832 8.583 0.249 25933 2748 1 6 . 1 1 34 34 CYS N N 34 119.035 119.035 115.131 3.904 25933 2749 1 6 . 1 1 34 34 CYS HA H 34 4.224 4.224 4.405 -0.181 25933 2750 1 6 . 1 1 34 34 CYS C C 34 175.978 175.978 176.469 -0.491 25933 2751 1 6 . 1 1 34 34 CYS CA C 34 63.491 63.491 59.874 3.617 25933 2752 1 6 . 1 1 34 34 CYS CB C 34 28.925 28.925 26.230 2.695 25933 2753 1 6 . 1 1 34 34 CYS H H 34 7.364 7.364 8.479 -1.115 25933 2754 1 6 . 1 1 35 35 LEU N N 35 118.363 118.363 119.607 -1.244 25933 2755 1 6 . 1 1 35 35 LEU HA H 35 4.404 4.404 4.339 0.065 25933 2756 1 6 . 1 1 35 35 LEU C C 35 176.327 176.327 176.097 0.230 25933 2757 1 6 . 1 1 35 35 LEU CA C 35 53.966 53.966 54.907 -0.941 25933 2758 1 6 . 1 1 35 35 LEU CB C 35 42.982 42.982 41.881 1.101 25933 2759 1 6 . 1 1 35 35 LEU H H 35 7.135 7.135 7.479 -0.344 25933 2760 1 6 . 1 1 36 36 ASN N N 36 116.501 116.501 114.393 2.108 25933 2761 1 6 . 1 1 36 36 ASN HA H 36 4.461 4.461 4.456 0.005 25933 2762 1 6 . 1 1 36 36 ASN C C 36 175.075 175.075 174.945 0.130 25933 2763 1 6 . 1 1 36 36 ASN CA C 36 54.055 54.055 54.250 -0.195 25933 2764 1 6 . 1 1 36 36 ASN CB C 36 37.552 37.552 36.772 0.780 25933 2765 1 6 . 1 1 36 36 ASN H H 36 7.974 7.974 7.718 0.256 25933 2766 1 6 . 1 1 37 37 LEU N N 37 119.139 119.139 120.193 -1.054 25933 2767 1 6 . 1 1 37 37 LEU HA H 37 4.472 4.472 4.434 0.038 25933 2768 1 6 . 1 1 37 37 LEU C C 37 178.114 178.114 177.213 0.901 25933 2769 1 6 . 1 1 37 37 LEU CA C 37 54.421 54.421 54.551 -0.130 25933 2770 1 6 . 1 1 37 37 LEU CB C 37 42.937 42.937 39.754 3.183 25933 2771 1 6 . 1 1 37 37 LEU H H 37 7.953 7.953 8.527 -0.574 25933 2772 1 6 . 1 1 38 38 THR N N 38 113.698 113.698 116.020 -2.322 25933 2773 1 6 . 1 1 38 38 THR HA H 38 4.224 4.224 4.168 0.056 25933 2774 1 6 . 1 1 38 38 THR C C 38 174.325 174.325 174.957 -0.632 25933 2775 1 6 . 1 1 38 38 THR CA C 38 62.608 62.608 64.599 -1.990 25933 2776 1 6 . 1 1 38 38 THR CB C 38 69.163 69.163 69.139 0.023 25933 2777 1 6 . 1 1 38 38 THR H H 38 8.465 8.465 7.736 0.729 25933 2778 1 6 . 1 1 39 39 LYS N N 39 120.070 120.070 122.553 -2.483 25933 2779 1 6 . 1 1 39 39 LYS HA H 39 4.383 4.383 4.356 0.027 25933 2780 1 6 . 1 1 39 39 LYS C C 39 175.570 175.570 175.222 0.348 25933 2781 1 6 . 1 1 39 39 LYS CA C 39 54.864 54.864 55.019 -0.155 25933 2782 1 6 . 1 1 39 39 LYS CB C 39 34.079 34.079 33.327 0.752 25933 2783 1 6 . 1 1 39 39 LYS H H 39 7.595 7.595 7.991 -0.396 25933 2784 1 6 . 1 1 40 40 ARG N N 40 123.383 123.383 126.252 -2.869 25933 2785 1 6 . 1 1 40 40 ARG HA H 40 4.163 4.163 4.399 -0.236 25933 2786 1 6 . 1 1 40 40 ARG CA C 40 54.474 54.474 54.464 0.010 25933 2787 1 6 . 1 1 40 40 ARG CB C 40 29.745 29.745 30.071 -0.326 25933 2788 1 6 . 1 1 40 40 ARG H H 40 8.372 8.372 8.485 -0.113 25933 2789 1 6 . 1 1 41 41 PRO HA H 41 4.081 4.081 4.449 -0.368 25933 2790 1 6 . 1 1 41 41 PRO C C 41 176.215 176.215 175.644 0.571 25933 2791 1 6 . 1 1 41 41 PRO CA C 41 63.151 63.151 63.069 0.082 25933 2792 1 6 . 1 1 41 41 PRO CB C 41 32.154 32.154 32.514 -0.360 25933 2793 1 6 . 1 1 42 42 ALA N N 42 126.233 126.233 125.744 0.489 25933 2794 1 6 . 1 1 42 42 ALA HA H 42 4.447 4.447 4.587 -0.140 25933 2795 1 6 . 1 1 42 42 ALA C C 42 177.947 177.947 177.688 0.259 25933 2796 1 6 . 1 1 42 42 ALA CA C 42 51.741 51.741 51.773 -0.032 25933 2797 1 6 . 1 1 42 42 ALA CB C 42 20.295 20.295 20.045 0.250 25933 2798 1 6 . 1 1 42 42 ALA H H 42 8.368 8.368 8.183 0.185 25933 2799 1 6 . 1 1 43 43 GLY N N 43 108.071 108.071 110.694 -2.623 25933 2800 1 6 . 1 1 43 43 GLY C C 43 174.630 174.630 174.139 0.491 25933 2801 1 6 . 1 1 43 43 GLY CA C 43 45.871 45.871 44.940 0.931 25933 2802 1 6 . 1 1 43 43 GLY H H 43 8.499 8.499 8.378 0.121 25933 2803 1 6 . 1 1 44 44 LYS N N 44 123.859 123.859 123.698 0.161 25933 2804 1 6 . 1 1 44 44 LYS HA H 44 4.325 4.325 4.508 -0.183 25933 2805 1 6 . 1 1 44 44 LYS CA C 44 56.012 56.012 55.988 0.024 25933 2806 1 6 . 1 1 44 44 LYS CB C 44 31.307 31.307 32.616 -1.309 25933 2807 1 6 . 1 1 44 44 LYS H H 44 8.485 8.485 8.362 0.123 25933 2808 1 6 . 1 1 45 45 TRP N N 45 124.364 124.364 128.164 -3.800 25933 2809 1 6 . 1 1 45 45 TRP HA H 45 4.317 4.317 4.768 -0.451 25933 2810 1 6 . 1 1 45 45 TRP CA C 45 58.972 58.972 56.867 2.105 25933 2811 1 6 . 1 1 45 45 TRP CB C 45 29.468 29.468 30.900 -1.432 25933 2812 1 6 . 1 1 45 45 TRP H H 45 7.419 7.419 8.811 -1.392 25933 2813 1 6 . 1 1 46 46 GLU N N 46 124.890 124.890 127.370 -2.480 25933 2814 1 6 . 1 1 46 46 GLU HA H 46 4.623 4.623 4.341 0.282 25933 2815 1 6 . 1 1 46 46 GLU CA C 46 53.864 53.864 54.351 -0.487 25933 2816 1 6 . 1 1 46 46 GLU H H 46 7.623 7.623 8.125 -0.502 25933 2817 1 6 . 1 1 47 47 CYS N N 47 130.384 130.384 122.130 8.254 25933 2818 1 6 . 1 1 47 47 CYS HA H 47 4.623 4.623 3.711 0.912 25933 2819 1 6 . 1 1 47 47 CYS H H 47 9.574 9.574 7.805 1.769 25933 2820 1 6 . 1 1 48 48 PRO HA H 48 4.704 4.704 4.259 0.445 25933 2821 1 6 . 1 1 48 48 PRO C C 48 177.973 177.973 177.647 0.326 25933 2822 1 6 . 1 1 48 48 PRO CA C 48 64.380 64.380 64.449 -0.069 25933 2823 1 6 . 1 1 48 48 PRO CB C 48 31.545 31.545 31.542 0.003 25933 2824 1 6 . 1 1 49 49 TRP N N 49 124.314 124.314 119.674 4.640 25933 2825 1 6 . 1 1 49 49 TRP HA H 49 5.248 5.248 4.521 0.727 25933 2826 1 6 . 1 1 49 49 TRP C C 49 179.054 179.054 175.273 3.781 25933 2827 1 6 . 1 1 49 49 TRP CA C 49 56.304 56.304 57.531 -1.227 25933 2828 1 6 . 1 1 49 49 TRP CB C 49 31.375 31.375 28.286 3.089 25933 2829 1 6 . 1 1 49 49 TRP H H 49 8.504 8.504 7.906 0.598 25933 2830 1 6 . 1 1 50 50 HIS N N 50 110.531 110.531 113.453 -2.922 25933 2831 1 6 . 1 1 50 50 HIS HA H 50 4.479 4.479 4.764 -0.285 25933 2832 1 6 . 1 1 50 50 HIS C C 50 175.070 175.070 174.752 0.318 25933 2833 1 6 . 1 1 50 50 HIS CA C 50 56.068 56.068 54.979 1.089 25933 2834 1 6 . 1 1 50 50 HIS CB C 50 28.267 28.267 30.494 -2.227 25933 2835 1 6 . 1 1 50 50 HIS H H 50 7.178 7.178 7.617 -0.439 25933 2836 1 6 . 1 1 51 51 GLN N N 51 118.176 118.176 118.543 -0.367 25933 2837 1 6 . 1 1 51 51 GLN HA H 51 4.638 4.638 5.029 -0.391 25933 2838 1 6 . 1 1 51 51 GLN C C 51 172.785 172.785 175.032 -2.247 25933 2839 1 6 . 1 1 51 51 GLN CA C 51 54.266 54.266 53.535 0.731 25933 2840 1 6 . 1 1 51 51 GLN CB C 51 30.779 30.779 30.944 -0.165 25933 2841 1 6 . 1 1 51 51 GLN H H 51 7.243 7.243 7.577 -0.335 25933 2842 1 6 . 1 1 52 52 CYS N N 52 123.532 123.532 126.026 -2.494 25933 2843 1 6 . 1 1 52 52 CYS HA H 52 4.049 4.049 4.514 -0.465 25933 2844 1 6 . 1 1 52 52 CYS C C 52 177.807 177.807 176.385 1.422 25933 2845 1 6 . 1 1 52 52 CYS CA C 52 58.257 58.257 59.401 -1.144 25933 2846 1 6 . 1 1 52 52 CYS CB C 52 31.165 31.165 27.452 3.713 25933 2847 1 6 . 1 1 52 52 CYS H H 52 9.344 9.344 9.102 0.242 25933 2848 1 6 . 1 1 53 53 ASP N N 53 134.328 134.328 128.545 5.783 25933 2849 1 6 . 1 1 53 53 ASP HA H 53 4.190 4.190 4.450 -0.260 25933 2850 1 6 . 1 1 53 53 ASP C C 53 176.732 176.732 176.568 0.164 25933 2851 1 6 . 1 1 53 53 ASP CA C 53 57.384 57.384 56.654 0.730 25933 2852 1 6 . 1 1 53 53 ASP CB C 53 41.122 41.122 41.030 0.092 25933 2853 1 6 . 1 1 53 53 ASP H H 53 9.185 9.185 8.930 0.255 25933 2854 1 6 . 1 1 54 54 VAL N N 54 119.653 119.653 119.704 -0.051 25933 2855 1 6 . 1 1 54 54 VAL HA H 54 3.877 3.877 4.045 -0.168 25933 2856 1 6 . 1 1 54 54 VAL C C 54 177.243 177.243 176.784 0.459 25933 2857 1 6 . 1 1 54 54 VAL CA C 54 65.092 65.092 64.664 0.428 25933 2858 1 6 . 1 1 54 54 VAL CB C 54 33.012 33.012 32.561 0.451 25933 2859 1 6 . 1 1 54 54 VAL H H 54 8.796 8.796 7.882 0.914 25933 2860 1 6 . 1 1 55 55 CYS N N 55 115.992 115.992 115.463 0.529 25933 2861 1 6 . 1 1 55 55 CYS HA H 55 5.112 5.112 4.988 0.124 25933 2862 1 6 . 1 1 55 55 CYS C C 55 176.818 176.818 176.143 0.675 25933 2863 1 6 . 1 1 55 55 CYS CA C 55 58.337 58.337 58.169 0.168 25933 2864 1 6 . 1 1 55 55 CYS CB C 55 34.324 34.324 29.839 4.485 25933 2865 1 6 . 1 1 55 55 CYS H H 55 7.604 7.604 8.136 -0.532 25933 2866 1 6 . 1 1 56 56 GLY N N 56 114.227 114.227 111.087 3.140 25933 2867 1 6 . 1 1 56 56 GLY C C 56 173.824 173.824 174.037 -0.213 25933 2868 1 6 . 1 1 56 56 GLY CA C 56 46.409 46.409 45.647 0.762 25933 2869 1 6 . 1 1 56 56 GLY H H 56 8.548 8.548 8.567 -0.019 25933 2870 1 6 . 1 1 57 57 LYS N N 57 122.126 122.126 120.241 1.885 25933 2871 1 6 . 1 1 57 57 LYS HA H 57 4.412 4.412 4.440 -0.028 25933 2872 1 6 . 1 1 57 57 LYS C C 57 175.055 175.055 175.946 -0.891 25933 2873 1 6 . 1 1 57 57 LYS CA C 57 56.717 56.717 55.382 1.335 25933 2874 1 6 . 1 1 57 57 LYS CB C 57 33.143 33.143 33.652 -0.509 25933 2875 1 6 . 1 1 57 57 LYS H H 57 8.314 8.314 7.413 0.901 25933 2876 1 6 . 1 1 58 58 GLU N N 58 120.782 120.782 120.033 0.749 25933 2877 1 6 . 1 1 58 58 GLU HA H 58 4.153 4.153 4.116 0.037 25933 2878 1 6 . 1 1 58 58 GLU C C 58 176.662 176.662 176.075 0.587 25933 2879 1 6 . 1 1 58 58 GLU CA C 58 57.913 57.913 57.178 0.735 25933 2880 1 6 . 1 1 58 58 GLU CB C 58 29.825 29.825 30.039 -0.214 25933 2881 1 6 . 1 1 58 58 GLU H H 58 8.502 8.502 8.607 -0.105 25933 2882 1 6 . 1 1 59 59 ALA N N 59 127.052 127.052 129.008 -1.956 25933 2883 1 6 . 1 1 59 59 ALA HA H 59 3.402 3.402 4.400 -0.998 25933 2884 1 6 . 1 1 59 59 ALA C C 59 175.529 175.529 175.928 -0.399 25933 2885 1 6 . 1 1 59 59 ALA CA C 59 52.238 52.238 51.961 0.278 25933 2886 1 6 . 1 1 59 59 ALA CB C 59 19.006 19.006 19.596 -0.590 25933 2887 1 6 . 1 1 59 59 ALA H H 59 7.812 7.812 8.501 -0.689 25933 2888 1 6 . 1 1 60 60 ALA N N 60 122.703 122.703 125.231 -2.528 25933 2889 1 6 . 1 1 60 60 ALA HA H 60 4.473 4.473 4.435 0.038 25933 2890 1 6 . 1 1 60 60 ALA C C 60 176.087 176.087 176.708 -0.621 25933 2891 1 6 . 1 1 60 60 ALA CA C 60 51.930 51.930 52.248 -0.319 25933 2892 1 6 . 1 1 60 60 ALA CB C 60 23.146 23.146 20.659 2.487 25933 2893 1 6 . 1 1 60 60 ALA H H 60 8.356 8.356 8.568 -0.212 25933 2894 1 6 . 1 1 61 61 SER N N 61 114.279 114.279 113.886 0.393 25933 2895 1 6 . 1 1 61 61 SER HA H 61 4.637 4.637 4.153 0.484 25933 2896 1 6 . 1 1 61 61 SER C C 61 171.865 171.865 172.809 -0.944 25933 2897 1 6 . 1 1 61 61 SER CA C 61 58.060 58.060 56.607 1.453 25933 2898 1 6 . 1 1 61 61 SER CB C 61 66.719 66.719 65.104 1.615 25933 2899 1 6 . 1 1 61 61 SER H H 61 7.427 7.427 7.708 -0.281 25933 2900 1 6 . 1 1 62 62 PHE N N 62 123.075 123.075 118.924 4.151 25933 2901 1 6 . 1 1 62 62 PHE HA H 62 4.342 4.342 4.525 -0.183 25933 2902 1 6 . 1 1 62 62 PHE C C 62 174.547 174.547 175.202 -0.655 25933 2903 1 6 . 1 1 62 62 PHE CA C 62 57.701 57.701 55.990 1.711 25933 2904 1 6 . 1 1 62 62 PHE CB C 62 41.207 41.207 41.097 0.110 25933 2905 1 6 . 1 1 62 62 PHE H H 62 8.193 8.193 7.764 0.429 25933 2906 1 6 . 1 1 63 63 CYS N N 63 126.326 126.326 125.319 1.007 25933 2907 1 6 . 1 1 63 63 CYS HA H 63 4.297 4.297 4.546 -0.249 25933 2908 1 6 . 1 1 63 63 CYS C C 63 176.289 176.289 176.352 -0.063 25933 2909 1 6 . 1 1 63 63 CYS CA C 63 61.098 61.098 59.141 1.957 25933 2910 1 6 . 1 1 63 63 CYS CB C 63 29.621 29.621 27.437 2.184 25933 2911 1 6 . 1 1 63 63 CYS H H 63 9.106 9.106 8.931 0.175 25933 2912 1 6 . 1 1 64 64 GLU N N 64 124.601 124.601 130.116 -5.515 25933 2913 1 6 . 1 1 64 64 GLU HA H 64 4.887 4.887 4.764 0.123 25933 2914 1 6 . 1 1 64 64 GLU C C 64 177.682 177.682 176.327 1.355 25933 2915 1 6 . 1 1 64 64 GLU CA C 64 58.619 58.619 57.203 1.416 25933 2916 1 6 . 1 1 64 64 GLU CB C 64 30.567 30.567 29.553 1.014 25933 2917 1 6 . 1 1 64 64 GLU H H 64 8.911 8.911 9.151 -0.240 25933 2918 1 6 . 1 1 65 65 MET N N 65 121.669 121.669 115.554 6.115 25933 2919 1 6 . 1 1 65 65 MET HA H 65 4.536 4.536 4.788 -0.252 25933 2920 1 6 . 1 1 65 65 MET C C 65 173.906 173.906 175.195 -1.289 25933 2921 1 6 . 1 1 65 65 MET CA C 65 56.157 56.157 55.249 0.908 25933 2922 1 6 . 1 1 65 65 MET CB C 65 33.770 33.770 35.758 -1.988 25933 2923 1 6 . 1 1 65 65 MET H H 65 9.972 9.972 7.843 2.129 25933 2924 1 6 . 1 1 66 66 CYS N N 66 127.827 127.827 114.854 12.973 25933 2925 1 6 . 1 1 66 66 CYS HA H 66 3.424 3.424 4.718 -1.294 25933 2926 1 6 . 1 1 66 66 CYS CA C 66 57.581 57.581 57.117 0.464 25933 2927 1 6 . 1 1 66 66 CYS CB C 66 29.900 29.900 27.922 1.978 25933 2928 1 6 . 1 1 66 66 CYS H H 66 8.286 8.286 7.861 0.425 25933 2929 1 6 . 1 1 67 67 PRO HA H 67 4.660 4.660 4.663 -0.003 25933 2930 1 6 . 1 1 67 67 PRO C C 67 176.387 176.387 176.043 0.344 25933 2931 1 6 . 1 1 67 67 PRO CA C 67 64.462 64.462 63.416 1.046 25933 2932 1 6 . 1 1 67 67 PRO CB C 67 31.018 31.018 31.184 -0.166 25933 2933 1 6 . 1 1 68 68 SER N N 68 122.983 122.983 117.940 5.043 25933 2934 1 6 . 1 1 68 68 SER HA H 68 5.148 5.148 4.470 0.678 25933 2935 1 6 . 1 1 68 68 SER C C 68 173.421 173.421 173.320 0.101 25933 2936 1 6 . 1 1 68 68 SER CA C 68 59.799 59.799 58.021 1.778 25933 2937 1 6 . 1 1 68 68 SER CB C 68 64.047 64.047 63.291 0.756 25933 2938 1 6 . 1 1 68 68 SER H H 68 8.864 8.864 7.742 1.122 25933 2939 1 6 . 1 1 69 69 SER N N 69 115.147 115.147 120.715 -5.568 25933 2940 1 6 . 1 1 69 69 SER HA H 69 4.443 4.443 4.580 -0.137 25933 2941 1 6 . 1 1 69 69 SER C C 69 171.436 171.436 172.671 -1.235 25933 2942 1 6 . 1 1 69 69 SER CA C 69 56.585 56.585 57.007 -0.422 25933 2943 1 6 . 1 1 69 69 SER CB C 69 63.959 63.959 64.766 -0.807 25933 2944 1 6 . 1 1 69 69 SER H H 69 7.874 7.874 7.919 -0.045 25933 2945 1 6 . 1 1 70 70 PHE N N 70 112.477 112.477 117.189 -4.712 25933 2946 1 6 . 1 1 70 70 PHE HA H 70 6.052 6.052 5.004 1.048 25933 2947 1 6 . 1 1 70 70 PHE C C 70 176.905 176.905 175.992 0.913 25933 2948 1 6 . 1 1 70 70 PHE CA C 70 57.026 57.026 56.685 0.341 25933 2949 1 6 . 1 1 70 70 PHE CB C 70 45.774 45.774 43.356 2.418 25933 2950 1 6 . 1 1 70 70 PHE H H 70 8.192 8.192 8.766 -0.574 25933 2951 1 6 . 1 1 71 71 CYS N N 71 121.843 121.843 119.355 2.488 25933 2952 1 6 . 1 1 71 71 CYS HA H 71 4.806 4.806 4.980 -0.174 25933 2953 1 6 . 1 1 71 71 CYS C C 71 174.332 174.332 176.019 -1.687 25933 2954 1 6 . 1 1 71 71 CYS CA C 71 58.618 58.618 56.911 1.707 25933 2955 1 6 . 1 1 71 71 CYS CB C 71 30.249 30.249 30.251 -0.002 25933 2956 1 6 . 1 1 71 71 CYS H H 71 9.511 9.511 8.666 0.845 25933 2957 1 6 . 1 1 72 72 LYS N N 72 118.091 118.091 119.438 -1.347 25933 2958 1 6 . 1 1 72 72 LYS HA H 72 3.679 3.679 3.860 -0.181 25933 2959 1 6 . 1 1 72 72 LYS C C 72 177.831 177.831 179.078 -1.247 25933 2960 1 6 . 1 1 72 72 LYS CA C 72 60.445 60.445 59.881 0.564 25933 2961 1 6 . 1 1 72 72 LYS CB C 72 32.277 32.277 32.022 0.255 25933 2962 1 6 . 1 1 72 72 LYS H H 72 8.804 8.804 8.723 0.081 25933 2963 1 6 . 1 1 73 73 GLN N N 73 118.381 118.381 116.754 1.627 25933 2964 1 6 . 1 1 73 73 GLN HA H 73 4.078 4.078 4.192 -0.114 25933 2965 1 6 . 1 1 73 73 GLN C C 73 177.491 177.491 178.020 -0.529 25933 2966 1 6 . 1 1 73 73 GLN CA C 73 57.894 57.894 57.525 0.369 25933 2967 1 6 . 1 1 73 73 GLN CB C 73 28.754 28.754 28.848 -0.094 25933 2968 1 6 . 1 1 73 73 GLN H H 73 8.139 8.139 7.763 0.376 25933 2969 1 6 . 1 1 74 74 HIS N N 74 117.140 117.140 116.927 0.213 25933 2970 1 6 . 1 1 74 74 HIS HA H 74 5.015 5.015 4.615 0.400 25933 2971 1 6 . 1 1 74 74 HIS C C 74 174.206 174.206 175.908 -1.702 25933 2972 1 6 . 1 1 74 74 HIS CA C 74 57.692 57.692 56.620 1.073 25933 2973 1 6 . 1 1 74 74 HIS CB C 74 32.739 32.739 29.721 3.018 25933 2974 1 6 . 1 1 74 74 HIS H H 74 7.628 7.628 7.518 0.110 25933 2975 1 6 . 1 1 75 75 ARG N N 75 115.977 115.977 118.367 -2.390 25933 2976 1 6 . 1 1 75 75 ARG HA H 75 3.699 3.699 4.195 -0.496 25933 2977 1 6 . 1 1 75 75 ARG C C 75 176.493 176.493 175.714 0.779 25933 2978 1 6 . 1 1 75 75 ARG CA C 75 57.925 57.925 56.669 1.256 25933 2979 1 6 . 1 1 75 75 ARG CB C 75 30.179 30.179 30.730 -0.551 25933 2980 1 6 . 1 1 75 75 ARG H H 75 7.415 7.415 7.827 -0.412 25933 2981 1 6 . 1 1 76 76 GLU N N 76 123.649 123.649 121.954 1.695 25933 2982 1 6 . 1 1 76 76 GLU HA H 76 3.955 3.955 4.145 -0.190 25933 2983 1 6 . 1 1 76 76 GLU C C 76 177.401 177.401 177.327 0.074 25933 2984 1 6 . 1 1 76 76 GLU CA C 76 58.208 58.208 57.572 0.636 25933 2985 1 6 . 1 1 76 76 GLU CB C 76 28.668 28.668 29.422 -0.754 25933 2986 1 6 . 1 1 76 76 GLU H H 76 8.094 8.094 7.281 0.813 25933 2987 1 6 . 1 1 77 77 GLY N N 77 114.787 114.787 114.075 0.712 25933 2988 1 6 . 1 1 77 77 GLY C C 77 174.193 174.193 174.775 -0.582 25933 2989 1 6 . 1 1 77 77 GLY CA C 77 45.502 45.502 46.439 -0.937 25933 2990 1 6 . 1 1 77 77 GLY H H 77 8.831 8.831 9.104 -0.273 25933 2991 1 6 . 1 1 78 78 MET N N 78 115.494 115.494 116.680 -1.186 25933 2992 1 6 . 1 1 78 78 MET HA H 78 4.608 4.608 4.493 0.115 25933 2993 1 6 . 1 1 78 78 MET C C 78 175.808 175.808 175.089 0.719 25933 2994 1 6 . 1 1 78 78 MET CA C 78 53.865 53.865 55.009 -1.144 25933 2995 1 6 . 1 1 78 78 MET CB C 78 33.146 33.146 34.096 -0.950 25933 2996 1 6 . 1 1 78 78 MET H H 78 7.320 7.320 7.480 -0.160 25933 2997 1 6 . 1 1 79 79 LEU N N 79 116.112 116.112 120.054 -3.942 25933 2998 1 6 . 1 1 79 79 LEU HA H 79 5.083 5.083 4.663 0.420 25933 2999 1 6 . 1 1 79 79 LEU C C 79 175.580 175.580 174.673 0.907 25933 3000 1 6 . 1 1 79 79 LEU CA C 79 52.710 52.710 53.895 -1.185 25933 3001 1 6 . 1 1 79 79 LEU CB C 79 46.268 46.268 45.253 1.015 25933 3002 1 6 . 1 1 79 79 LEU H H 79 6.783 6.783 7.535 -0.752 25933 3003 1 6 . 1 1 80 80 PHE N N 80 121.484 121.484 120.434 1.050 25933 3004 1 6 . 1 1 80 80 PHE HA H 80 4.773 4.773 4.932 -0.159 25933 3005 1 6 . 1 1 80 80 PHE C C 80 174.354 174.354 173.651 0.703 25933 3006 1 6 . 1 1 80 80 PHE CA C 80 56.225 56.225 55.561 0.664 25933 3007 1 6 . 1 1 80 80 PHE CB C 80 42.377 42.377 41.203 1.174 25933 3008 1 6 . 1 1 80 80 PHE H H 80 9.296 9.296 8.259 1.037 25933 3009 1 6 . 1 1 81 81 ILE N N 81 123.854 123.854 120.502 3.352 25933 3010 1 6 . 1 1 81 81 ILE HA H 81 4.088 4.088 4.326 -0.238 25933 3011 1 6 . 1 1 81 81 ILE C C 81 176.829 176.829 176.218 0.611 25933 3012 1 6 . 1 1 81 81 ILE CA C 81 60.636 60.636 60.525 0.111 25933 3013 1 6 . 1 1 81 81 ILE CB C 81 37.486 37.486 37.404 0.082 25933 3014 1 6 . 1 1 81 81 ILE H H 81 8.798 8.798 8.447 0.351 25933 3015 1 6 . 1 1 82 82 SER N N 82 124.730 124.730 122.944 1.786 25933 3016 1 6 . 1 1 82 82 SER HA H 82 4.530 4.530 4.560 -0.030 25933 3017 1 6 . 1 1 82 82 SER C C 82 177.460 177.460 175.889 1.571 25933 3018 1 6 . 1 1 82 82 SER CA C 82 58.180 58.180 58.349 -0.169 25933 3019 1 6 . 1 1 82 82 SER CB C 82 64.054 64.054 64.544 -0.490 25933 3020 1 6 . 1 1 82 82 SER H H 82 8.898 8.898 8.975 -0.077 25933 3021 1 6 . 1 1 83 83 LYS N N 83 129.518 129.518 126.795 2.723 25933 3022 1 6 . 1 1 83 83 LYS HA H 83 4.198 4.198 4.212 -0.014 25933 3023 1 6 . 1 1 83 83 LYS C C 83 177.173 177.173 177.292 -0.119 25933 3024 1 6 . 1 1 83 83 LYS CA C 83 57.848 57.848 58.774 -0.926 25933 3025 1 6 . 1 1 83 83 LYS CB C 83 32.376 32.376 32.569 -0.193 25933 3026 1 6 . 1 1 83 83 LYS H H 83 9.269 9.269 8.757 0.512 25933 3027 1 6 . 1 1 84 84 LEU N N 84 120.539 120.539 119.587 0.952 25933 3028 1 6 . 1 1 84 84 LEU HA H 84 4.284 4.284 4.267 0.017 25933 3029 1 6 . 1 1 84 84 LEU C C 84 178.443 178.443 178.355 0.088 25933 3030 1 6 . 1 1 84 84 LEU CA C 84 56.827 56.827 56.841 -0.014 25933 3031 1 6 . 1 1 84 84 LEU CB C 84 41.901 41.901 42.613 -0.712 25933 3032 1 6 . 1 1 84 84 LEU H H 84 8.364 8.364 7.780 0.584 25933 3033 1 6 . 1 1 85 85 ASP N N 85 114.333 114.333 116.193 -1.860 25933 3034 1 6 . 1 1 85 85 ASP HA H 85 4.737 4.737 4.790 -0.053 25933 3035 1 6 . 1 1 85 85 ASP C C 85 177.413 177.413 176.785 0.628 25933 3036 1 6 . 1 1 85 85 ASP CA C 85 53.056 53.056 54.136 -1.080 25933 3037 1 6 . 1 1 85 85 ASP CB C 85 42.065 42.065 41.858 0.207 25933 3038 1 6 . 1 1 85 85 ASP H H 85 7.326 7.326 7.827 -0.501 25933 3039 1 6 . 1 1 86 86 GLY N N 86 108.607 108.607 107.486 1.121 25933 3040 1 6 . 1 1 86 86 GLY C C 86 174.036 174.036 174.217 -0.181 25933 3041 1 6 . 1 1 86 86 GLY CA C 86 46.037 46.037 45.654 0.383 25933 3042 1 6 . 1 1 86 86 GLY H H 86 7.901 7.901 7.764 0.137 25933 3043 1 6 . 1 1 87 87 ARG N N 87 120.598 120.598 119.113 1.485 25933 3044 1 6 . 1 1 87 87 ARG HA H 87 4.345 4.345 4.501 -0.156 25933 3045 1 6 . 1 1 87 87 ARG C C 87 175.968 175.968 176.431 -0.463 25933 3046 1 6 . 1 1 87 87 ARG CA C 87 56.810 56.810 55.114 1.696 25933 3047 1 6 . 1 1 87 87 ARG CB C 87 31.934 31.934 31.704 0.230 25933 3048 1 6 . 1 1 87 87 ARG H H 87 7.948 7.948 7.685 0.263 25933 3049 1 6 . 1 1 88 88 LEU N N 88 126.752 126.752 123.653 3.099 25933 3050 1 6 . 1 1 88 88 LEU HA H 88 4.576 4.576 4.655 -0.079 25933 3051 1 6 . 1 1 88 88 LEU C C 88 176.060 176.060 176.224 -0.164 25933 3052 1 6 . 1 1 88 88 LEU CA C 88 55.558 55.558 55.728 -0.170 25933 3053 1 6 . 1 1 88 88 LEU CB C 88 42.815 42.815 41.944 0.871 25933 3054 1 6 . 1 1 88 88 LEU H H 88 8.968 8.968 9.315 -0.347 25933 3055 1 6 . 1 1 89 89 SER N N 89 118.859 118.859 119.121 -0.262 25933 3056 1 6 . 1 1 89 89 SER HA H 89 6.146 6.146 5.145 1.001 25933 3057 1 6 . 1 1 89 89 SER C C 89 174.338 174.338 173.471 0.867 25933 3058 1 6 . 1 1 89 89 SER CA C 89 56.311 56.311 56.304 0.007 25933 3059 1 6 . 1 1 89 89 SER CB C 89 67.072 67.072 65.774 1.298 25933 3060 1 6 . 1 1 89 89 SER H H 89 9.083 9.083 9.013 0.070 25933 3061 1 6 . 1 1 90 90 CYS N N 90 128.907 128.907 124.343 4.564 25933 3062 1 6 . 1 1 90 90 CYS HA H 90 5.815 5.815 5.394 0.421 25933 3063 1 6 . 1 1 90 90 CYS C C 90 176.386 176.386 177.155 -0.769 25933 3064 1 6 . 1 1 90 90 CYS CA C 90 58.908 58.908 56.040 2.868 25933 3065 1 6 . 1 1 90 90 CYS CB C 90 29.444 29.444 29.945 -0.501 25933 3066 1 6 . 1 1 90 90 CYS H H 90 10.389 10.389 8.304 2.085 25933 3067 1 6 . 1 1 91 91 THR N N 91 108.692 108.692 111.961 -3.269 25933 3068 1 6 . 1 1 91 91 THR HA H 91 4.398 4.398 4.442 -0.044 25933 3069 1 6 . 1 1 91 91 THR C C 91 175.912 175.912 175.068 0.844 25933 3070 1 6 . 1 1 91 91 THR CA C 91 63.576 63.576 63.846 -0.270 25933 3071 1 6 . 1 1 91 91 THR CB C 91 69.172 69.172 68.259 0.913 25933 3072 1 6 . 1 1 91 91 THR H H 91 8.435 8.435 8.441 -0.006 25933 3073 1 6 . 1 1 92 92 GLU N N 92 123.418 123.418 119.324 4.094 25933 3074 1 6 . 1 1 92 92 GLU HA H 92 4.280 4.280 4.402 -0.122 25933 3075 1 6 . 1 1 92 92 GLU C C 92 175.937 175.937 176.341 -0.404 25933 3076 1 6 . 1 1 92 92 GLU CA C 92 56.582 56.582 56.154 0.428 25933 3077 1 6 . 1 1 92 92 GLU CB C 92 28.887 28.887 29.055 -0.168 25933 3078 1 6 . 1 1 92 92 GLU H H 92 8.626 8.626 7.690 0.936 25933 3079 1 6 . 1 1 93 93 HIS N N 93 117.178 117.178 118.250 -1.072 25933 3080 1 6 . 1 1 93 93 HIS HA H 93 4.789 4.789 4.866 -0.077 25933 3081 1 6 . 1 1 93 93 HIS C C 93 174.016 174.016 174.205 -0.189 25933 3082 1 6 . 1 1 93 93 HIS CA C 93 54.275 54.275 54.562 -0.287 25933 3083 1 6 . 1 1 93 93 HIS CB C 93 29.373 29.373 29.389 -0.016 25933 3084 1 6 . 1 1 93 93 HIS H H 93 7.244 7.244 7.610 -0.366 25933 3085 1 7 . 1 1 2 2 ALA N N 2 124.503 124.503 123.614 0.889 25933 3086 1 7 . 1 1 2 2 ALA HA H 2 4.337 4.337 4.436 -0.099 25933 3087 1 7 . 1 1 2 2 ALA C C 2 177.688 177.688 177.319 0.369 25933 3088 1 7 . 1 1 2 2 ALA CA C 2 52.598 52.598 52.001 0.597 25933 3089 1 7 . 1 1 2 2 ALA CB C 2 19.375 19.375 18.567 0.808 25933 3090 1 7 . 1 1 2 2 ALA H H 2 8.639 8.639 8.276 0.363 25933 3091 1 7 . 1 1 3 3 MET N N 3 120.183 120.183 121.678 -1.495 25933 3092 1 7 . 1 1 3 3 MET HA H 3 4.402 4.402 4.169 0.233 25933 3093 1 7 . 1 1 3 3 MET C C 3 176.072 176.072 174.844 1.228 25933 3094 1 7 . 1 1 3 3 MET CA C 3 55.636 55.636 55.371 0.265 25933 3095 1 7 . 1 1 3 3 MET CB C 3 32.936 32.936 31.454 1.482 25933 3096 1 7 . 1 1 3 3 MET H H 3 8.483 8.483 8.468 0.015 25933 3097 1 7 . 1 1 4 4 GLU N N 4 123.573 123.573 122.124 1.449 25933 3098 1 7 . 1 1 4 4 GLU HA H 4 4.255 4.255 4.167 0.088 25933 3099 1 7 . 1 1 4 4 GLU C C 4 175.719 175.719 175.856 -0.137 25933 3100 1 7 . 1 1 4 4 GLU CA C 4 56.516 56.516 56.706 -0.190 25933 3101 1 7 . 1 1 4 4 GLU CB C 4 30.209 30.209 30.104 0.105 25933 3102 1 7 . 1 1 4 4 GLU H H 4 8.417 8.417 8.494 -0.077 25933 3103 1 7 . 1 1 5 5 ARG N N 5 121.879 121.879 127.437 -5.558 25933 3104 1 7 . 1 1 5 5 ARG HA H 5 4.327 4.327 4.085 0.242 25933 3105 1 7 . 1 1 5 5 ARG C C 5 175.991 175.991 176.503 -0.512 25933 3106 1 7 . 1 1 5 5 ARG CA C 5 55.879 55.879 56.375 -0.496 25933 3107 1 7 . 1 1 5 5 ARG CB C 5 31.336 31.336 31.020 0.316 25933 3108 1 7 . 1 1 5 5 ARG H H 5 8.099 8.099 8.398 -0.299 25933 3109 1 7 . 1 1 6 6 GLU N N 6 124.508 124.508 124.574 -0.066 25933 3110 1 7 . 1 1 6 6 GLU HA H 6 4.245 4.245 4.173 0.072 25933 3111 1 7 . 1 1 6 6 GLU C C 6 174.941 174.941 176.451 -1.510 25933 3112 1 7 . 1 1 6 6 GLU CA C 6 56.775 56.775 56.648 0.127 25933 3113 1 7 . 1 1 6 6 GLU CB C 6 30.421 30.421 30.509 -0.088 25933 3114 1 7 . 1 1 6 6 GLU H H 6 8.560 8.560 8.429 0.131 25933 3115 1 7 . 1 1 7 7 ASP N N 7 117.067 117.067 121.317 -4.250 25933 3116 1 7 . 1 1 7 7 ASP HA H 7 4.520 4.520 4.640 -0.120 25933 3117 1 7 . 1 1 7 7 ASP C C 7 174.744 174.744 174.762 -0.018 25933 3118 1 7 . 1 1 7 7 ASP CA C 7 53.697 53.697 53.560 0.137 25933 3119 1 7 . 1 1 7 7 ASP CB C 7 42.222 42.222 40.797 1.425 25933 3120 1 7 . 1 1 7 7 ASP H H 7 8.237 8.237 8.434 -0.197 25933 3121 1 7 . 1 1 8 8 GLU N N 8 116.268 116.268 118.372 -2.104 25933 3122 1 7 . 1 1 8 8 GLU HA H 8 4.083 4.083 4.423 -0.340 25933 3123 1 7 . 1 1 8 8 GLU C C 8 173.257 173.257 173.832 -0.575 25933 3124 1 7 . 1 1 8 8 GLU CA C 8 54.382 54.382 54.775 -0.393 25933 3125 1 7 . 1 1 8 8 GLU CB C 8 32.438 32.438 32.634 -0.196 25933 3126 1 7 . 1 1 8 8 GLU H H 8 7.005 7.005 7.389 -0.384 25933 3127 1 7 . 1 1 9 9 CYS N N 9 124.211 124.211 124.423 -0.212 25933 3128 1 7 . 1 1 9 9 CYS HA H 9 4.157 4.157 4.779 -0.622 25933 3129 1 7 . 1 1 9 9 CYS C C 9 178.384 178.384 175.889 2.495 25933 3130 1 7 . 1 1 9 9 CYS CA C 9 57.640 57.640 57.852 -0.212 25933 3131 1 7 . 1 1 9 9 CYS CB C 9 31.396 31.396 26.000 5.396 25933 3132 1 7 . 1 1 9 9 CYS H H 9 8.220 8.220 8.688 -0.468 25933 3133 1 7 . 1 1 10 10 PHE N N 10 131.759 131.759 128.162 3.597 25933 3134 1 7 . 1 1 10 10 PHE HA H 10 4.695 4.695 4.154 0.541 25933 3135 1 7 . 1 1 10 10 PHE C C 10 176.194 176.194 175.826 0.368 25933 3136 1 7 . 1 1 10 10 PHE CA C 10 55.935 55.935 60.808 -4.873 25933 3137 1 7 . 1 1 10 10 PHE CB C 10 38.279 38.279 39.411 -1.132 25933 3138 1 7 . 1 1 10 10 PHE H H 10 8.765 8.765 8.141 0.624 25933 3139 1 7 . 1 1 11 11 SER N N 11 114.027 114.027 114.216 -0.189 25933 3140 1 7 . 1 1 11 11 SER HA H 11 4.331 4.331 4.234 0.097 25933 3141 1 7 . 1 1 11 11 SER C C 11 175.836 175.836 175.232 0.604 25933 3142 1 7 . 1 1 11 11 SER CA C 11 61.956 61.956 60.608 1.348 25933 3143 1 7 . 1 1 11 11 SER CB C 11 63.774 63.774 63.268 0.506 25933 3144 1 7 . 1 1 11 11 SER H H 11 8.686 8.686 8.163 0.523 25933 3145 1 7 . 1 1 12 12 CYS N N 12 118.224 118.224 117.157 1.067 25933 3146 1 7 . 1 1 12 12 CYS HA H 12 5.121 5.121 4.823 0.298 25933 3147 1 7 . 1 1 12 12 CYS C C 12 176.817 176.817 175.585 1.232 25933 3148 1 7 . 1 1 12 12 CYS CA C 12 58.693 58.693 59.063 -0.370 25933 3149 1 7 . 1 1 12 12 CYS CB C 12 32.837 32.837 30.549 2.288 25933 3150 1 7 . 1 1 12 12 CYS H H 12 8.195 8.195 7.516 0.679 25933 3151 1 7 . 1 1 13 13 GLY N N 13 114.509 114.509 109.078 5.431 25933 3152 1 7 . 1 1 13 13 GLY C C 13 173.093 173.093 173.354 -0.261 25933 3153 1 7 . 1 1 13 13 GLY CA C 13 46.346 46.346 45.338 1.008 25933 3154 1 7 . 1 1 13 13 GLY H H 13 8.385 8.385 8.625 -0.240 25933 3155 1 7 . 1 1 14 14 ASP N N 14 122.123 122.123 119.750 2.373 25933 3156 1 7 . 1 1 14 14 ASP HA H 14 5.294 5.294 4.947 0.347 25933 3157 1 7 . 1 1 14 14 ASP C C 14 176.111 176.111 174.530 1.581 25933 3158 1 7 . 1 1 14 14 ASP CA C 14 53.304 53.304 53.586 -0.282 25933 3159 1 7 . 1 1 14 14 ASP CB C 14 43.175 43.175 44.803 -1.628 25933 3160 1 7 . 1 1 14 14 ASP H H 14 8.512 8.512 7.721 0.791 25933 3161 1 7 . 1 1 15 15 ALA N N 15 123.765 123.765 122.530 1.235 25933 3162 1 7 . 1 1 15 15 ALA HA H 15 4.679 4.679 4.677 0.002 25933 3163 1 7 . 1 1 15 15 ALA C C 15 177.375 177.375 176.447 0.928 25933 3164 1 7 . 1 1 15 15 ALA CA C 15 51.216 51.216 51.652 -0.436 25933 3165 1 7 . 1 1 15 15 ALA CB C 15 19.842 19.842 21.194 -1.352 25933 3166 1 7 . 1 1 15 15 ALA H H 15 8.538 8.538 8.423 0.115 25933 3167 1 7 . 1 1 16 16 GLY N N 16 108.898 108.898 110.659 -1.761 25933 3168 1 7 . 1 1 16 16 GLY C C 16 172.132 172.132 173.530 -1.398 25933 3169 1 7 . 1 1 16 16 GLY CA C 16 45.320 45.320 46.071 -0.751 25933 3170 1 7 . 1 1 16 16 GLY H H 16 8.304 8.304 8.124 0.180 25933 3171 1 7 . 1 1 17 17 GLN N N 17 125.473 125.473 123.733 1.740 25933 3172 1 7 . 1 1 17 17 GLN HA H 17 4.359 4.359 4.465 -0.106 25933 3173 1 7 . 1 1 17 17 GLN C C 17 175.263 175.263 175.024 0.239 25933 3174 1 7 . 1 1 17 17 GLN CA C 17 55.779 55.779 55.415 0.364 25933 3175 1 7 . 1 1 17 17 GLN CB C 17 27.927 27.927 28.201 -0.274 25933 3176 1 7 . 1 1 17 17 GLN H H 17 8.887 8.887 8.493 0.394 25933 3177 1 7 . 1 1 18 18 LEU N N 18 127.246 127.246 126.003 1.243 25933 3178 1 7 . 1 1 18 18 LEU HA H 18 4.714 4.714 5.086 -0.372 25933 3179 1 7 . 1 1 18 18 LEU C C 18 177.078 177.078 176.292 0.786 25933 3180 1 7 . 1 1 18 18 LEU CA C 18 53.755 53.755 53.519 0.236 25933 3181 1 7 . 1 1 18 18 LEU CB C 18 44.191 44.191 43.715 0.476 25933 3182 1 7 . 1 1 18 18 LEU H H 18 8.322 8.322 8.036 0.286 25933 3183 1 7 . 1 1 19 19 VAL N N 19 121.280 121.280 122.931 -1.651 25933 3184 1 7 . 1 1 19 19 VAL HA H 19 4.547 4.547 4.414 0.133 25933 3185 1 7 . 1 1 19 19 VAL C C 19 175.238 175.238 174.199 1.039 25933 3186 1 7 . 1 1 19 19 VAL CA C 19 59.975 59.975 59.989 -0.014 25933 3187 1 7 . 1 1 19 19 VAL CB C 19 33.809 33.809 34.733 -0.924 25933 3188 1 7 . 1 1 19 19 VAL H H 19 9.789 9.789 9.158 0.631 25933 3189 1 7 . 1 1 20 20 SER N N 20 118.562 118.562 123.440 -4.878 25933 3190 1 7 . 1 1 20 20 SER HA H 20 5.062 5.062 4.611 0.451 25933 3191 1 7 . 1 1 20 20 SER C C 20 174.439 174.439 174.088 0.351 25933 3192 1 7 . 1 1 20 20 SER CA C 20 57.132 57.132 57.431 -0.299 25933 3193 1 7 . 1 1 20 20 SER CB C 20 64.811 64.811 64.264 0.547 25933 3194 1 7 . 1 1 20 20 SER H H 20 8.638 8.638 8.476 0.162 25933 3195 1 7 . 1 1 21 21 CYS N N 21 125.432 125.432 124.558 0.874 25933 3196 1 7 . 1 1 21 21 CYS HA H 21 4.311 4.311 4.539 -0.228 25933 3197 1 7 . 1 1 21 21 CYS CA C 21 61.656 61.656 59.538 2.118 25933 3198 1 7 . 1 1 21 21 CYS CB C 21 31.029 31.029 28.195 2.834 25933 3199 1 7 . 1 1 21 21 CYS H H 21 8.132 8.132 8.145 -0.013 25933 3200 1 7 . 1 1 22 22 LYS N N 22 125.587 125.587 127.448 -1.861 25933 3201 1 7 . 1 1 22 22 LYS HA H 22 4.648 4.648 4.420 0.228 25933 3202 1 7 . 1 1 22 22 LYS C C 22 177.460 177.460 176.146 1.314 25933 3203 1 7 . 1 1 22 22 LYS H H 22 8.294 8.294 8.255 0.039 25933 3204 1 7 . 1 1 23 23 LYS N N 23 130.703 130.703 122.453 8.250 25933 3205 1 7 . 1 1 23 23 LYS HA H 23 4.385 4.385 4.703 -0.318 25933 3206 1 7 . 1 1 23 23 LYS CA C 23 55.222 55.222 53.482 1.740 25933 3207 1 7 . 1 1 23 23 LYS CB C 23 33.949 33.949 33.485 0.464 25933 3208 1 7 . 1 1 23 23 LYS H H 23 9.496 9.496 7.359 2.137 25933 3209 1 7 . 1 1 24 24 PRO HA H 24 4.198 4.198 4.209 -0.011 25933 3210 1 7 . 1 1 24 24 PRO C C 24 177.835 177.835 177.269 0.566 25933 3211 1 7 . 1 1 24 24 PRO CA C 24 64.454 64.454 64.209 0.245 25933 3212 1 7 . 1 1 24 24 PRO CB C 24 31.420 31.420 31.283 0.137 25933 3213 1 7 . 1 1 25 25 GLY N N 25 114.246 114.246 111.710 2.536 25933 3214 1 7 . 1 1 25 25 GLY C C 25 173.630 173.630 173.945 -0.315 25933 3215 1 7 . 1 1 25 25 GLY CA C 25 45.200 45.200 44.764 0.436 25933 3216 1 7 . 1 1 25 25 GLY H H 25 8.823 8.823 8.595 0.228 25933 3217 1 7 . 1 1 26 26 CYS N N 26 126.002 126.002 122.498 3.504 25933 3218 1 7 . 1 1 26 26 CYS HA H 26 5.014 5.014 5.031 -0.017 25933 3219 1 7 . 1 1 26 26 CYS CA C 26 56.747 56.747 55.613 1.134 25933 3220 1 7 . 1 1 26 26 CYS CB C 26 32.711 32.711 27.976 4.735 25933 3221 1 7 . 1 1 26 26 CYS H H 26 8.076 8.076 7.920 0.156 25933 3222 1 7 . 1 1 27 27 PRO HA H 27 4.802 4.802 4.593 0.208 25933 3223 1 7 . 1 1 27 27 PRO C C 27 175.970 175.970 175.799 0.171 25933 3224 1 7 . 1 1 27 27 PRO CA C 27 63.334 63.334 62.384 0.950 25933 3225 1 7 . 1 1 27 27 PRO CB C 27 32.920 32.920 31.748 1.172 25933 3226 1 7 . 1 1 28 28 LYS N N 28 121.413 121.413 120.676 0.737 25933 3227 1 7 . 1 1 28 28 LYS HA H 28 3.889 3.889 4.133 -0.244 25933 3228 1 7 . 1 1 28 28 LYS C C 28 175.961 175.961 174.410 1.551 25933 3229 1 7 . 1 1 28 28 LYS CA C 28 55.327 55.327 56.239 -0.912 25933 3230 1 7 . 1 1 28 28 LYS CB C 28 32.132 32.132 33.153 -1.021 25933 3231 1 7 . 1 1 28 28 LYS H H 28 8.353 8.353 7.364 0.989 25933 3232 1 7 . 1 1 29 29 VAL N N 29 115.183 115.183 121.744 -6.561 25933 3233 1 7 . 1 1 29 29 VAL HA H 29 5.286 5.286 4.480 0.806 25933 3234 1 7 . 1 1 29 29 VAL C C 29 174.480 174.480 173.291 1.189 25933 3235 1 7 . 1 1 29 29 VAL CA C 29 58.616 58.616 60.138 -1.522 25933 3236 1 7 . 1 1 29 29 VAL CB C 29 35.526 35.526 35.752 -0.226 25933 3237 1 7 . 1 1 29 29 VAL H H 29 8.346 8.346 7.459 0.887 25933 3238 1 7 . 1 1 30 30 TYR N N 30 114.639 114.639 121.642 -7.003 25933 3239 1 7 . 1 1 30 30 TYR HA H 30 5.821 5.821 4.681 1.140 25933 3240 1 7 . 1 1 30 30 TYR C C 30 177.221 177.221 174.673 2.548 25933 3241 1 7 . 1 1 30 30 TYR CA C 30 56.989 56.989 56.425 0.564 25933 3242 1 7 . 1 1 30 30 TYR CB C 30 45.110 45.110 42.049 3.061 25933 3243 1 7 . 1 1 30 30 TYR H H 30 8.792 8.792 8.540 0.252 25933 3244 1 7 . 1 1 31 31 HIS N N 31 121.470 121.470 119.089 2.381 25933 3245 1 7 . 1 1 31 31 HIS HA H 31 4.890 4.890 5.237 -0.347 25933 3246 1 7 . 1 1 31 31 HIS C C 31 177.595 177.595 176.466 1.129 25933 3247 1 7 . 1 1 31 31 HIS CA C 31 58.141 58.141 55.493 2.648 25933 3248 1 7 . 1 1 31 31 HIS CB C 31 30.737 30.737 30.719 0.018 25933 3249 1 7 . 1 1 31 31 HIS H H 31 9.164 9.164 8.248 0.916 25933 3250 1 7 . 1 1 32 32 ALA N N 32 129.786 129.786 126.574 3.212 25933 3251 1 7 . 1 1 32 32 ALA HA H 32 3.829 3.829 3.924 -0.095 25933 3252 1 7 . 1 1 32 32 ALA C C 32 180.494 180.494 178.602 1.892 25933 3253 1 7 . 1 1 32 32 ALA CA C 32 56.044 56.044 55.730 0.314 25933 3254 1 7 . 1 1 32 32 ALA CB C 32 17.179 17.179 18.778 -1.599 25933 3255 1 7 . 1 1 32 32 ALA H H 32 9.768 9.768 8.482 1.286 25933 3256 1 7 . 1 1 33 33 ASP N N 33 114.332 114.332 118.427 -4.095 25933 3257 1 7 . 1 1 33 33 ASP HA H 33 4.521 4.521 4.368 0.153 25933 3258 1 7 . 1 1 33 33 ASP C C 33 179.006 179.006 178.545 0.461 25933 3259 1 7 . 1 1 33 33 ASP CA C 33 56.541 56.541 57.309 -0.768 25933 3260 1 7 . 1 1 33 33 ASP CB C 33 40.316 40.316 40.723 -0.407 25933 3261 1 7 . 1 1 33 33 ASP H H 33 8.832 8.832 8.536 0.296 25933 3262 1 7 . 1 1 34 34 CYS N N 34 119.035 119.035 116.114 2.921 25933 3263 1 7 . 1 1 34 34 CYS HA H 34 4.224 4.224 4.483 -0.259 25933 3264 1 7 . 1 1 34 34 CYS C C 34 175.978 175.978 176.601 -0.623 25933 3265 1 7 . 1 1 34 34 CYS CA C 34 63.491 63.491 59.559 3.932 25933 3266 1 7 . 1 1 34 34 CYS CB C 34 28.925 28.925 26.653 2.272 25933 3267 1 7 . 1 1 34 34 CYS H H 34 7.364 7.364 8.476 -1.112 25933 3268 1 7 . 1 1 35 35 LEU N N 35 118.363 118.363 119.502 -1.139 25933 3269 1 7 . 1 1 35 35 LEU HA H 35 4.404 4.404 4.311 0.093 25933 3270 1 7 . 1 1 35 35 LEU C C 35 176.327 176.327 176.704 -0.377 25933 3271 1 7 . 1 1 35 35 LEU CA C 35 53.966 53.966 54.843 -0.876 25933 3272 1 7 . 1 1 35 35 LEU CB C 35 42.982 42.982 42.059 0.923 25933 3273 1 7 . 1 1 35 35 LEU H H 35 7.135 7.135 7.721 -0.586 25933 3274 1 7 . 1 1 36 36 ASN N N 36 116.501 116.501 116.452 0.049 25933 3275 1 7 . 1 1 36 36 ASN HA H 36 4.461 4.461 4.448 0.013 25933 3276 1 7 . 1 1 36 36 ASN C C 36 175.075 175.075 174.997 0.078 25933 3277 1 7 . 1 1 36 36 ASN CA C 36 54.055 54.055 53.966 0.089 25933 3278 1 7 . 1 1 36 36 ASN CB C 36 37.552 37.552 37.578 -0.026 25933 3279 1 7 . 1 1 36 36 ASN H H 36 7.974 7.974 7.766 0.208 25933 3280 1 7 . 1 1 37 37 LEU N N 37 119.139 119.139 120.706 -1.567 25933 3281 1 7 . 1 1 37 37 LEU HA H 37 4.472 4.472 4.443 0.029 25933 3282 1 7 . 1 1 37 37 LEU C C 37 178.114 178.114 177.193 0.921 25933 3283 1 7 . 1 1 37 37 LEU CA C 37 54.421 54.421 54.775 -0.354 25933 3284 1 7 . 1 1 37 37 LEU CB C 37 42.937 42.937 39.901 3.037 25933 3285 1 7 . 1 1 37 37 LEU H H 37 7.953 7.953 8.472 -0.519 25933 3286 1 7 . 1 1 38 38 THR N N 38 113.698 113.698 116.588 -2.890 25933 3287 1 7 . 1 1 38 38 THR HA H 38 4.224 4.224 4.180 0.044 25933 3288 1 7 . 1 1 38 38 THR C C 38 174.325 174.325 174.936 -0.611 25933 3289 1 7 . 1 1 38 38 THR CA C 38 62.608 62.608 64.626 -2.018 25933 3290 1 7 . 1 1 38 38 THR CB C 38 69.163 69.163 69.180 -0.017 25933 3291 1 7 . 1 1 38 38 THR H H 38 8.465 8.465 7.853 0.612 25933 3292 1 7 . 1 1 39 39 LYS N N 39 120.070 120.070 122.526 -2.456 25933 3293 1 7 . 1 1 39 39 LYS HA H 39 4.383 4.383 4.420 -0.037 25933 3294 1 7 . 1 1 39 39 LYS C C 39 175.570 175.570 175.440 0.130 25933 3295 1 7 . 1 1 39 39 LYS CA C 39 54.864 54.864 55.328 -0.464 25933 3296 1 7 . 1 1 39 39 LYS CB C 39 34.079 34.079 33.118 0.961 25933 3297 1 7 . 1 1 39 39 LYS H H 39 7.595 7.595 8.136 -0.541 25933 3298 1 7 . 1 1 40 40 ARG N N 40 123.383 123.383 124.644 -1.261 25933 3299 1 7 . 1 1 40 40 ARG HA H 40 4.163 4.163 4.282 -0.119 25933 3300 1 7 . 1 1 40 40 ARG CA C 40 54.474 54.474 54.982 -0.508 25933 3301 1 7 . 1 1 40 40 ARG CB C 40 29.745 29.745 29.229 0.516 25933 3302 1 7 . 1 1 40 40 ARG H H 40 8.372 8.372 8.433 -0.061 25933 3303 1 7 . 1 1 41 41 PRO HA H 41 4.081 4.081 4.424 -0.343 25933 3304 1 7 . 1 1 41 41 PRO C C 41 176.215 176.215 175.462 0.753 25933 3305 1 7 . 1 1 41 41 PRO CA C 41 63.151 63.151 62.826 0.325 25933 3306 1 7 . 1 1 41 41 PRO CB C 41 32.154 32.154 32.268 -0.114 25933 3307 1 7 . 1 1 42 42 ALA N N 42 126.233 126.233 123.870 2.363 25933 3308 1 7 . 1 1 42 42 ALA HA H 42 4.447 4.447 4.506 -0.059 25933 3309 1 7 . 1 1 42 42 ALA C C 42 177.947 177.947 177.348 0.599 25933 3310 1 7 . 1 1 42 42 ALA CA C 42 51.741 51.741 51.435 0.306 25933 3311 1 7 . 1 1 42 42 ALA CB C 42 20.295 20.295 21.053 -0.758 25933 3312 1 7 . 1 1 42 42 ALA H H 42 8.368 8.368 8.130 0.238 25933 3313 1 7 . 1 1 43 43 GLY N N 43 108.071 108.071 111.350 -3.279 25933 3314 1 7 . 1 1 43 43 GLY C C 43 174.630 174.630 174.380 0.250 25933 3315 1 7 . 1 1 43 43 GLY CA C 43 45.871 45.871 45.688 0.183 25933 3316 1 7 . 1 1 43 43 GLY H H 43 8.499 8.499 8.439 0.060 25933 3317 1 7 . 1 1 44 44 LYS N N 44 123.859 123.859 125.867 -2.008 25933 3318 1 7 . 1 1 44 44 LYS HA H 44 4.325 4.325 4.648 -0.323 25933 3319 1 7 . 1 1 44 44 LYS CA C 44 56.012 56.012 55.422 0.590 25933 3320 1 7 . 1 1 44 44 LYS CB C 44 31.307 31.307 32.829 -1.522 25933 3321 1 7 . 1 1 44 44 LYS H H 44 8.485 8.485 8.332 0.153 25933 3322 1 7 . 1 1 45 45 TRP N N 45 124.364 124.364 128.865 -4.501 25933 3323 1 7 . 1 1 45 45 TRP HA H 45 4.317 4.317 4.835 -0.518 25933 3324 1 7 . 1 1 45 45 TRP CA C 45 58.972 58.972 56.216 2.756 25933 3325 1 7 . 1 1 45 45 TRP CB C 45 29.468 29.468 31.770 -2.303 25933 3326 1 7 . 1 1 45 45 TRP H H 45 7.419 7.419 8.796 -1.377 25933 3327 1 7 . 1 1 46 46 GLU N N 46 124.890 124.890 127.154 -2.264 25933 3328 1 7 . 1 1 46 46 GLU HA H 46 4.623 4.623 4.322 0.301 25933 3329 1 7 . 1 1 46 46 GLU CA C 46 53.864 53.864 54.258 -0.394 25933 3330 1 7 . 1 1 46 46 GLU H H 46 7.623 7.623 8.136 -0.513 25933 3331 1 7 . 1 1 47 47 CYS N N 47 130.384 130.384 121.468 8.916 25933 3332 1 7 . 1 1 47 47 CYS HA H 47 4.623 4.623 3.734 0.889 25933 3333 1 7 . 1 1 47 47 CYS H H 47 9.574 9.574 7.725 1.849 25933 3334 1 7 . 1 1 48 48 PRO HA H 48 4.704 4.704 4.242 0.462 25933 3335 1 7 . 1 1 48 48 PRO C C 48 177.973 177.973 177.585 0.388 25933 3336 1 7 . 1 1 48 48 PRO CA C 48 64.380 64.380 64.470 -0.090 25933 3337 1 7 . 1 1 48 48 PRO CB C 48 31.545 31.545 31.476 0.069 25933 3338 1 7 . 1 1 49 49 TRP N N 49 124.314 124.314 120.172 4.142 25933 3339 1 7 . 1 1 49 49 TRP HA H 49 5.248 5.248 4.679 0.569 25933 3340 1 7 . 1 1 49 49 TRP C C 49 179.054 179.054 175.206 3.848 25933 3341 1 7 . 1 1 49 49 TRP CA C 49 56.304 56.304 57.333 -1.029 25933 3342 1 7 . 1 1 49 49 TRP CB C 49 31.375 31.375 28.296 3.079 25933 3343 1 7 . 1 1 49 49 TRP H H 49 8.504 8.504 7.911 0.593 25933 3344 1 7 . 1 1 50 50 HIS N N 50 110.531 110.531 112.861 -2.330 25933 3345 1 7 . 1 1 50 50 HIS HA H 50 4.479 4.479 4.788 -0.309 25933 3346 1 7 . 1 1 50 50 HIS C C 50 175.070 175.070 174.546 0.524 25933 3347 1 7 . 1 1 50 50 HIS CA C 50 56.068 56.068 54.596 1.472 25933 3348 1 7 . 1 1 50 50 HIS CB C 50 28.267 28.267 30.239 -1.972 25933 3349 1 7 . 1 1 50 50 HIS H H 50 7.178 7.178 7.755 -0.577 25933 3350 1 7 . 1 1 51 51 GLN N N 51 118.176 118.176 118.619 -0.443 25933 3351 1 7 . 1 1 51 51 GLN HA H 51 4.638 4.638 5.042 -0.404 25933 3352 1 7 . 1 1 51 51 GLN C C 51 172.785 172.785 175.104 -2.319 25933 3353 1 7 . 1 1 51 51 GLN CA C 51 54.266 54.266 53.712 0.555 25933 3354 1 7 . 1 1 51 51 GLN CB C 51 30.779 30.779 30.724 0.055 25933 3355 1 7 . 1 1 51 51 GLN H H 51 7.243 7.243 7.593 -0.350 25933 3356 1 7 . 1 1 52 52 CYS N N 52 123.532 123.532 127.187 -3.655 25933 3357 1 7 . 1 1 52 52 CYS HA H 52 4.049 4.049 4.471 -0.422 25933 3358 1 7 . 1 1 52 52 CYS C C 52 177.807 177.807 176.303 1.504 25933 3359 1 7 . 1 1 52 52 CYS CA C 52 58.257 58.257 59.438 -1.181 25933 3360 1 7 . 1 1 52 52 CYS CB C 52 31.165 31.165 27.317 3.849 25933 3361 1 7 . 1 1 52 52 CYS H H 52 9.344 9.344 9.224 0.120 25933 3362 1 7 . 1 1 53 53 ASP N N 53 134.328 134.328 128.577 5.751 25933 3363 1 7 . 1 1 53 53 ASP HA H 53 4.190 4.190 4.394 -0.204 25933 3364 1 7 . 1 1 53 53 ASP C C 53 176.732 176.732 176.825 -0.093 25933 3365 1 7 . 1 1 53 53 ASP CA C 53 57.384 57.384 56.852 0.532 25933 3366 1 7 . 1 1 53 53 ASP CB C 53 41.122 41.122 41.020 0.102 25933 3367 1 7 . 1 1 53 53 ASP H H 53 9.185 9.185 8.821 0.364 25933 3368 1 7 . 1 1 54 54 VAL N N 54 119.653 119.653 119.166 0.487 25933 3369 1 7 . 1 1 54 54 VAL HA H 54 3.877 3.877 3.908 -0.031 25933 3370 1 7 . 1 1 54 54 VAL C C 54 177.243 177.243 176.941 0.302 25933 3371 1 7 . 1 1 54 54 VAL CA C 54 65.092 65.092 64.653 0.439 25933 3372 1 7 . 1 1 54 54 VAL CB C 54 33.012 33.012 32.703 0.310 25933 3373 1 7 . 1 1 54 54 VAL H H 54 8.796 8.796 8.047 0.749 25933 3374 1 7 . 1 1 55 55 CYS N N 55 115.992 115.992 113.924 2.068 25933 3375 1 7 . 1 1 55 55 CYS HA H 55 5.112 5.112 5.008 0.104 25933 3376 1 7 . 1 1 55 55 CYS C C 55 176.818 176.818 176.060 0.758 25933 3377 1 7 . 1 1 55 55 CYS CA C 55 58.337 58.337 57.227 1.110 25933 3378 1 7 . 1 1 55 55 CYS CB C 55 34.324 34.324 30.370 3.954 25933 3379 1 7 . 1 1 55 55 CYS H H 55 7.604 7.604 8.035 -0.431 25933 3380 1 7 . 1 1 56 56 GLY N N 56 114.227 114.227 110.530 3.697 25933 3381 1 7 . 1 1 56 56 GLY C C 56 173.824 173.824 174.450 -0.626 25933 3382 1 7 . 1 1 56 56 GLY CA C 56 46.409 46.409 45.763 0.646 25933 3383 1 7 . 1 1 56 56 GLY H H 56 8.548 8.548 8.688 -0.140 25933 3384 1 7 . 1 1 57 57 LYS N N 57 122.126 122.126 120.224 1.902 25933 3385 1 7 . 1 1 57 57 LYS HA H 57 4.412 4.412 4.496 -0.084 25933 3386 1 7 . 1 1 57 57 LYS C C 57 175.055 175.055 175.828 -0.773 25933 3387 1 7 . 1 1 57 57 LYS CA C 57 56.717 56.717 55.288 1.429 25933 3388 1 7 . 1 1 57 57 LYS CB C 57 33.143 33.143 33.932 -0.789 25933 3389 1 7 . 1 1 57 57 LYS H H 57 8.314 8.314 7.501 0.813 25933 3390 1 7 . 1 1 58 58 GLU N N 58 120.782 120.782 118.714 2.068 25933 3391 1 7 . 1 1 58 58 GLU HA H 58 4.153 4.153 4.415 -0.262 25933 3392 1 7 . 1 1 58 58 GLU C C 58 176.662 176.662 175.991 0.671 25933 3393 1 7 . 1 1 58 58 GLU CA C 58 57.913 57.913 57.139 0.774 25933 3394 1 7 . 1 1 58 58 GLU CB C 58 29.825 29.825 29.747 0.078 25933 3395 1 7 . 1 1 58 58 GLU H H 58 8.502 8.502 8.519 -0.017 25933 3396 1 7 . 1 1 59 59 ALA N N 59 127.052 127.052 126.179 0.873 25933 3397 1 7 . 1 1 59 59 ALA HA H 59 3.402 3.402 4.537 -1.135 25933 3398 1 7 . 1 1 59 59 ALA C C 59 175.529 175.529 175.942 -0.413 25933 3399 1 7 . 1 1 59 59 ALA CA C 59 52.238 52.238 50.996 1.242 25933 3400 1 7 . 1 1 59 59 ALA CB C 59 19.006 19.006 20.373 -1.367 25933 3401 1 7 . 1 1 59 59 ALA H H 59 7.812 7.812 8.266 -0.454 25933 3402 1 7 . 1 1 60 60 ALA N N 60 122.703 122.703 124.384 -1.681 25933 3403 1 7 . 1 1 60 60 ALA HA H 60 4.473 4.473 4.467 0.006 25933 3404 1 7 . 1 1 60 60 ALA C C 60 176.087 176.087 176.699 -0.612 25933 3405 1 7 . 1 1 60 60 ALA CA C 60 51.930 51.930 52.355 -0.425 25933 3406 1 7 . 1 1 60 60 ALA CB C 60 23.146 23.146 20.544 2.602 25933 3407 1 7 . 1 1 60 60 ALA H H 60 8.356 8.356 8.516 -0.160 25933 3408 1 7 . 1 1 61 61 SER N N 61 114.279 114.279 113.905 0.374 25933 3409 1 7 . 1 1 61 61 SER HA H 61 4.637 4.637 4.146 0.491 25933 3410 1 7 . 1 1 61 61 SER C C 61 171.865 171.865 172.608 -0.743 25933 3411 1 7 . 1 1 61 61 SER CA C 61 58.060 58.060 56.782 1.278 25933 3412 1 7 . 1 1 61 61 SER CB C 61 66.719 66.719 65.404 1.315 25933 3413 1 7 . 1 1 61 61 SER H H 61 7.427 7.427 7.607 -0.180 25933 3414 1 7 . 1 1 62 62 PHE N N 62 123.075 123.075 119.518 3.557 25933 3415 1 7 . 1 1 62 62 PHE HA H 62 4.342 4.342 4.536 -0.194 25933 3416 1 7 . 1 1 62 62 PHE C C 62 174.547 174.547 175.358 -0.811 25933 3417 1 7 . 1 1 62 62 PHE CA C 62 57.701 57.701 56.011 1.690 25933 3418 1 7 . 1 1 62 62 PHE CB C 62 41.207 41.207 41.114 0.094 25933 3419 1 7 . 1 1 62 62 PHE H H 62 8.193 8.193 7.756 0.437 25933 3420 1 7 . 1 1 63 63 CYS N N 63 126.326 126.326 125.133 1.193 25933 3421 1 7 . 1 1 63 63 CYS HA H 63 4.297 4.297 4.670 -0.373 25933 3422 1 7 . 1 1 63 63 CYS C C 63 176.289 176.289 176.397 -0.108 25933 3423 1 7 . 1 1 63 63 CYS CA C 63 61.098 61.098 58.635 2.463 25933 3424 1 7 . 1 1 63 63 CYS CB C 63 29.621 29.621 27.597 2.024 25933 3425 1 7 . 1 1 63 63 CYS H H 63 9.106 9.106 8.819 0.287 25933 3426 1 7 . 1 1 64 64 GLU N N 64 124.601 124.601 129.707 -5.106 25933 3427 1 7 . 1 1 64 64 GLU HA H 64 4.887 4.887 4.758 0.129 25933 3428 1 7 . 1 1 64 64 GLU C C 64 177.682 177.682 176.560 1.122 25933 3429 1 7 . 1 1 64 64 GLU CA C 64 58.619 58.619 56.963 1.656 25933 3430 1 7 . 1 1 64 64 GLU CB C 64 30.567 30.567 29.606 0.961 25933 3431 1 7 . 1 1 64 64 GLU H H 64 8.911 8.911 9.433 -0.522 25933 3432 1 7 . 1 1 65 65 MET N N 65 121.669 121.669 116.960 4.709 25933 3433 1 7 . 1 1 65 65 MET HA H 65 4.536 4.536 4.823 -0.287 25933 3434 1 7 . 1 1 65 65 MET C C 65 173.906 173.906 175.256 -1.350 25933 3435 1 7 . 1 1 65 65 MET CA C 65 56.157 56.157 55.390 0.767 25933 3436 1 7 . 1 1 65 65 MET CB C 65 33.770 33.770 34.545 -0.775 25933 3437 1 7 . 1 1 65 65 MET H H 65 9.972 9.972 7.962 2.010 25933 3438 1 7 . 1 1 66 66 CYS N N 66 127.827 127.827 114.710 13.117 25933 3439 1 7 . 1 1 66 66 CYS HA H 66 3.424 3.424 4.811 -1.387 25933 3440 1 7 . 1 1 66 66 CYS CA C 66 57.581 57.581 57.120 0.461 25933 3441 1 7 . 1 1 66 66 CYS CB C 66 29.900 29.900 28.781 1.119 25933 3442 1 7 . 1 1 66 66 CYS H H 66 8.286 8.286 7.984 0.302 25933 3443 1 7 . 1 1 67 67 PRO HA H 67 4.660 4.660 4.364 0.296 25933 3444 1 7 . 1 1 67 67 PRO C C 67 176.387 176.387 176.056 0.331 25933 3445 1 7 . 1 1 67 67 PRO CA C 67 64.462 64.462 63.392 1.070 25933 3446 1 7 . 1 1 67 67 PRO CB C 67 31.018 31.018 31.170 -0.152 25933 3447 1 7 . 1 1 68 68 SER N N 68 122.983 122.983 117.147 5.836 25933 3448 1 7 . 1 1 68 68 SER HA H 68 5.148 5.148 4.567 0.581 25933 3449 1 7 . 1 1 68 68 SER C C 68 173.421 173.421 173.445 -0.024 25933 3450 1 7 . 1 1 68 68 SER CA C 68 59.799 59.799 57.726 2.073 25933 3451 1 7 . 1 1 68 68 SER CB C 68 64.047 64.047 63.795 0.251 25933 3452 1 7 . 1 1 68 68 SER H H 68 8.864 8.864 7.703 1.161 25933 3453 1 7 . 1 1 69 69 SER N N 69 115.147 115.147 120.642 -5.495 25933 3454 1 7 . 1 1 69 69 SER HA H 69 4.443 4.443 4.643 -0.200 25933 3455 1 7 . 1 1 69 69 SER C C 69 171.436 171.436 172.393 -0.957 25933 3456 1 7 . 1 1 69 69 SER CA C 69 56.585 56.585 56.687 -0.102 25933 3457 1 7 . 1 1 69 69 SER CB C 69 63.959 63.959 65.633 -1.674 25933 3458 1 7 . 1 1 69 69 SER H H 69 7.874 7.874 8.133 -0.259 25933 3459 1 7 . 1 1 70 70 PHE N N 70 112.477 112.477 116.284 -3.807 25933 3460 1 7 . 1 1 70 70 PHE HA H 70 6.052 6.052 5.012 1.040 25933 3461 1 7 . 1 1 70 70 PHE C C 70 176.905 176.905 175.704 1.201 25933 3462 1 7 . 1 1 70 70 PHE CA C 70 57.026 57.026 56.865 0.161 25933 3463 1 7 . 1 1 70 70 PHE CB C 70 45.774 45.774 43.567 2.207 25933 3464 1 7 . 1 1 70 70 PHE H H 70 8.192 8.192 8.604 -0.412 25933 3465 1 7 . 1 1 71 71 CYS N N 71 121.843 121.843 119.981 1.862 25933 3466 1 7 . 1 1 71 71 CYS HA H 71 4.806 4.806 4.906 -0.100 25933 3467 1 7 . 1 1 71 71 CYS C C 71 174.332 174.332 175.833 -1.501 25933 3468 1 7 . 1 1 71 71 CYS CA C 71 58.618 58.618 56.879 1.739 25933 3469 1 7 . 1 1 71 71 CYS CB C 71 30.249 30.249 30.407 -0.157 25933 3470 1 7 . 1 1 71 71 CYS H H 71 9.511 9.511 8.748 0.763 25933 3471 1 7 . 1 1 72 72 LYS N N 72 118.091 118.091 119.792 -1.701 25933 3472 1 7 . 1 1 72 72 LYS HA H 72 3.679 3.679 3.833 -0.154 25933 3473 1 7 . 1 1 72 72 LYS C C 72 177.831 177.831 179.399 -1.568 25933 3474 1 7 . 1 1 72 72 LYS CA C 72 60.445 60.445 60.220 0.225 25933 3475 1 7 . 1 1 72 72 LYS CB C 72 32.277 32.277 32.075 0.202 25933 3476 1 7 . 1 1 72 72 LYS H H 72 8.804 8.804 8.685 0.118 25933 3477 1 7 . 1 1 73 73 GLN N N 73 118.381 118.381 116.527 1.854 25933 3478 1 7 . 1 1 73 73 GLN HA H 73 4.078 4.078 4.072 0.006 25933 3479 1 7 . 1 1 73 73 GLN C C 73 177.491 177.491 177.460 0.031 25933 3480 1 7 . 1 1 73 73 GLN CA C 73 57.894 57.894 58.018 -0.124 25933 3481 1 7 . 1 1 73 73 GLN CB C 73 28.754 28.754 28.566 0.188 25933 3482 1 7 . 1 1 73 73 GLN H H 73 8.139 8.139 8.014 0.125 25933 3483 1 7 . 1 1 74 74 HIS N N 74 117.140 117.140 114.132 3.008 25933 3484 1 7 . 1 1 74 74 HIS HA H 74 5.015 5.015 4.679 0.336 25933 3485 1 7 . 1 1 74 74 HIS C C 74 174.206 174.206 175.618 -1.412 25933 3486 1 7 . 1 1 74 74 HIS CA C 74 57.692 57.692 55.700 1.992 25933 3487 1 7 . 1 1 74 74 HIS CB C 74 32.739 32.739 30.098 2.641 25933 3488 1 7 . 1 1 74 74 HIS H H 74 7.628 7.628 7.343 0.285 25933 3489 1 7 . 1 1 75 75 ARG N N 75 115.977 115.977 118.217 -2.240 25933 3490 1 7 . 1 1 75 75 ARG HA H 75 3.699 3.699 4.272 -0.573 25933 3491 1 7 . 1 1 75 75 ARG C C 75 176.493 176.493 175.666 0.827 25933 3492 1 7 . 1 1 75 75 ARG CA C 75 57.925 57.925 57.681 0.244 25933 3493 1 7 . 1 1 75 75 ARG CB C 75 30.179 30.179 31.146 -0.967 25933 3494 1 7 . 1 1 75 75 ARG H H 75 7.415 7.415 7.692 -0.277 25933 3495 1 7 . 1 1 76 76 GLU N N 76 123.649 123.649 121.174 2.475 25933 3496 1 7 . 1 1 76 76 GLU HA H 76 3.955 3.955 4.095 -0.140 25933 3497 1 7 . 1 1 76 76 GLU C C 76 177.401 177.401 177.239 0.162 25933 3498 1 7 . 1 1 76 76 GLU CA C 76 58.208 58.208 57.492 0.716 25933 3499 1 7 . 1 1 76 76 GLU CB C 76 28.668 28.668 29.328 -0.660 25933 3500 1 7 . 1 1 76 76 GLU H H 76 8.094 8.094 7.868 0.226 25933 3501 1 7 . 1 1 77 77 GLY N N 77 114.787 114.787 114.019 0.768 25933 3502 1 7 . 1 1 77 77 GLY C C 77 174.193 174.193 175.398 -1.205 25933 3503 1 7 . 1 1 77 77 GLY CA C 77 45.502 45.502 46.237 -0.735 25933 3504 1 7 . 1 1 77 77 GLY H H 77 8.831 8.831 9.104 -0.273 25933 3505 1 7 . 1 1 78 78 MET N N 78 115.494 115.494 118.422 -2.928 25933 3506 1 7 . 1 1 78 78 MET HA H 78 4.608 4.608 4.621 -0.013 25933 3507 1 7 . 1 1 78 78 MET C C 78 175.808 175.808 174.931 0.877 25933 3508 1 7 . 1 1 78 78 MET CA C 78 53.865 53.865 54.755 -0.890 25933 3509 1 7 . 1 1 78 78 MET CB C 78 33.146 33.146 33.914 -0.768 25933 3510 1 7 . 1 1 78 78 MET H H 78 7.320 7.320 7.453 -0.133 25933 3511 1 7 . 1 1 79 79 LEU N N 79 116.112 116.112 120.164 -4.052 25933 3512 1 7 . 1 1 79 79 LEU HA H 79 5.083 5.083 4.773 0.310 25933 3513 1 7 . 1 1 79 79 LEU C C 79 175.580 175.580 174.722 0.858 25933 3514 1 7 . 1 1 79 79 LEU CA C 79 52.710 52.710 53.858 -1.148 25933 3515 1 7 . 1 1 79 79 LEU CB C 79 46.268 46.268 45.080 1.188 25933 3516 1 7 . 1 1 79 79 LEU H H 79 6.783 6.783 7.911 -1.128 25933 3517 1 7 . 1 1 80 80 PHE N N 80 121.484 121.484 121.259 0.225 25933 3518 1 7 . 1 1 80 80 PHE HA H 80 4.773 4.773 4.939 -0.166 25933 3519 1 7 . 1 1 80 80 PHE C C 80 174.354 174.354 173.568 0.786 25933 3520 1 7 . 1 1 80 80 PHE CA C 80 56.225 56.225 55.646 0.579 25933 3521 1 7 . 1 1 80 80 PHE CB C 80 42.377 42.377 41.346 1.031 25933 3522 1 7 . 1 1 80 80 PHE H H 80 9.296 9.296 8.492 0.804 25933 3523 1 7 . 1 1 81 81 ILE N N 81 123.854 123.854 121.008 2.846 25933 3524 1 7 . 1 1 81 81 ILE HA H 81 4.088 4.088 4.642 -0.554 25933 3525 1 7 . 1 1 81 81 ILE C C 81 176.829 176.829 176.492 0.337 25933 3526 1 7 . 1 1 81 81 ILE CA C 81 60.636 60.636 60.329 0.307 25933 3527 1 7 . 1 1 81 81 ILE CB C 81 37.486 37.486 37.454 0.032 25933 3528 1 7 . 1 1 81 81 ILE H H 81 8.798 8.798 8.477 0.321 25933 3529 1 7 . 1 1 82 82 SER N N 82 124.730 124.730 122.724 2.006 25933 3530 1 7 . 1 1 82 82 SER HA H 82 4.530 4.530 4.585 -0.055 25933 3531 1 7 . 1 1 82 82 SER C C 82 177.460 177.460 175.075 2.385 25933 3532 1 7 . 1 1 82 82 SER CA C 82 58.180 58.180 58.518 -0.338 25933 3533 1 7 . 1 1 82 82 SER CB C 82 64.054 64.054 64.140 -0.086 25933 3534 1 7 . 1 1 82 82 SER H H 82 8.898 8.898 9.038 -0.140 25933 3535 1 7 . 1 1 83 83 LYS N N 83 129.518 129.518 127.572 1.946 25933 3536 1 7 . 1 1 83 83 LYS HA H 83 4.198 4.198 4.208 -0.010 25933 3537 1 7 . 1 1 83 83 LYS C C 83 177.173 177.173 177.294 -0.121 25933 3538 1 7 . 1 1 83 83 LYS CA C 83 57.848 57.848 58.620 -0.772 25933 3539 1 7 . 1 1 83 83 LYS CB C 83 32.376 32.376 32.497 -0.121 25933 3540 1 7 . 1 1 83 83 LYS H H 83 9.269 9.269 8.883 0.386 25933 3541 1 7 . 1 1 84 84 LEU N N 84 120.539 120.539 119.919 0.620 25933 3542 1 7 . 1 1 84 84 LEU HA H 84 4.284 4.284 4.257 0.027 25933 3543 1 7 . 1 1 84 84 LEU C C 84 178.443 178.443 178.572 -0.129 25933 3544 1 7 . 1 1 84 84 LEU CA C 84 56.827 56.827 57.044 -0.217 25933 3545 1 7 . 1 1 84 84 LEU CB C 84 41.901 41.901 42.588 -0.687 25933 3546 1 7 . 1 1 84 84 LEU H H 84 8.364 8.364 7.741 0.623 25933 3547 1 7 . 1 1 85 85 ASP N N 85 114.333 114.333 115.743 -1.410 25933 3548 1 7 . 1 1 85 85 ASP HA H 85 4.737 4.737 4.796 -0.059 25933 3549 1 7 . 1 1 85 85 ASP C C 85 177.413 177.413 177.483 -0.070 25933 3550 1 7 . 1 1 85 85 ASP CA C 85 53.056 53.056 54.712 -1.655 25933 3551 1 7 . 1 1 85 85 ASP CB C 85 42.065 42.065 42.753 -0.688 25933 3552 1 7 . 1 1 85 85 ASP H H 85 7.326 7.326 8.228 -0.902 25933 3553 1 7 . 1 1 86 86 GLY N N 86 108.607 108.607 108.755 -0.148 25933 3554 1 7 . 1 1 86 86 GLY C C 86 174.036 174.036 173.929 0.107 25933 3555 1 7 . 1 1 86 86 GLY CA C 86 46.037 46.037 45.361 0.676 25933 3556 1 7 . 1 1 86 86 GLY H H 86 7.901 7.901 8.176 -0.275 25933 3557 1 7 . 1 1 87 87 ARG N N 87 120.598 120.598 119.803 0.795 25933 3558 1 7 . 1 1 87 87 ARG HA H 87 4.345 4.345 4.510 -0.165 25933 3559 1 7 . 1 1 87 87 ARG C C 87 175.968 175.968 176.409 -0.441 25933 3560 1 7 . 1 1 87 87 ARG CA C 87 56.810 56.810 55.647 1.163 25933 3561 1 7 . 1 1 87 87 ARG CB C 87 31.934 31.934 31.513 0.421 25933 3562 1 7 . 1 1 87 87 ARG H H 87 7.948 7.948 7.740 0.208 25933 3563 1 7 . 1 1 88 88 LEU N N 88 126.752 126.752 124.088 2.664 25933 3564 1 7 . 1 1 88 88 LEU HA H 88 4.576 4.576 4.519 0.057 25933 3565 1 7 . 1 1 88 88 LEU C C 88 176.060 176.060 175.947 0.113 25933 3566 1 7 . 1 1 88 88 LEU CA C 88 55.558 55.558 55.708 -0.150 25933 3567 1 7 . 1 1 88 88 LEU CB C 88 42.815 42.815 41.381 1.434 25933 3568 1 7 . 1 1 88 88 LEU H H 88 8.968 8.968 9.300 -0.332 25933 3569 1 7 . 1 1 89 89 SER N N 89 118.859 118.859 119.854 -0.995 25933 3570 1 7 . 1 1 89 89 SER HA H 89 6.146 6.146 5.141 1.005 25933 3571 1 7 . 1 1 89 89 SER C C 89 174.338 174.338 173.498 0.840 25933 3572 1 7 . 1 1 89 89 SER CA C 89 56.311 56.311 56.183 0.128 25933 3573 1 7 . 1 1 89 89 SER CB C 89 67.072 67.072 65.707 1.365 25933 3574 1 7 . 1 1 89 89 SER H H 89 9.083 9.083 9.032 0.051 25933 3575 1 7 . 1 1 90 90 CYS N N 90 128.907 128.907 124.644 4.263 25933 3576 1 7 . 1 1 90 90 CYS HA H 90 5.815 5.815 5.414 0.401 25933 3577 1 7 . 1 1 90 90 CYS C C 90 176.386 176.386 177.239 -0.853 25933 3578 1 7 . 1 1 90 90 CYS CA C 90 58.908 58.908 56.149 2.759 25933 3579 1 7 . 1 1 90 90 CYS CB C 90 29.444 29.444 30.273 -0.830 25933 3580 1 7 . 1 1 90 90 CYS H H 90 10.389 10.389 8.346 2.043 25933 3581 1 7 . 1 1 91 91 THR N N 91 108.692 108.692 112.752 -4.060 25933 3582 1 7 . 1 1 91 91 THR HA H 91 4.398 4.398 4.447 -0.049 25933 3583 1 7 . 1 1 91 91 THR C C 91 175.912 175.912 174.965 0.947 25933 3584 1 7 . 1 1 91 91 THR CA C 91 63.576 63.576 64.156 -0.581 25933 3585 1 7 . 1 1 91 91 THR CB C 91 69.172 69.172 68.214 0.958 25933 3586 1 7 . 1 1 91 91 THR H H 91 8.435 8.435 8.578 -0.143 25933 3587 1 7 . 1 1 92 92 GLU N N 92 123.418 123.418 120.146 3.272 25933 3588 1 7 . 1 1 92 92 GLU HA H 92 4.280 4.280 4.330 -0.050 25933 3589 1 7 . 1 1 92 92 GLU C C 92 175.937 175.937 175.990 -0.053 25933 3590 1 7 . 1 1 92 92 GLU CA C 92 56.582 56.582 56.954 -0.372 25933 3591 1 7 . 1 1 92 92 GLU CB C 92 28.887 28.887 29.749 -0.862 25933 3592 1 7 . 1 1 92 92 GLU H H 92 8.626 8.626 7.761 0.865 25933 3593 1 7 . 1 1 93 93 HIS N N 93 117.178 117.178 118.972 -1.794 25933 3594 1 7 . 1 1 93 93 HIS HA H 93 4.789 4.789 4.813 -0.024 25933 3595 1 7 . 1 1 93 93 HIS C C 93 174.016 174.016 174.365 -0.349 25933 3596 1 7 . 1 1 93 93 HIS CA C 93 54.275 54.275 54.343 -0.068 25933 3597 1 7 . 1 1 93 93 HIS CB C 93 29.373 29.373 29.364 0.009 25933 3598 1 7 . 1 1 93 93 HIS H H 93 7.244 7.244 7.645 -0.401 25933 3599 1 8 . 1 1 2 2 ALA N N 2 124.503 124.503 125.271 -0.768 25933 3600 1 8 . 1 1 2 2 ALA HA H 2 4.337 4.337 4.469 -0.132 25933 3601 1 8 . 1 1 2 2 ALA C C 2 177.688 177.688 177.330 0.358 25933 3602 1 8 . 1 1 2 2 ALA CA C 2 52.598 52.598 51.833 0.765 25933 3603 1 8 . 1 1 2 2 ALA CB C 2 19.375 19.375 19.329 0.046 25933 3604 1 8 . 1 1 2 2 ALA H H 2 8.639 8.639 8.362 0.277 25933 3605 1 8 . 1 1 3 3 MET N N 3 120.183 120.183 118.613 1.570 25933 3606 1 8 . 1 1 3 3 MET HA H 3 4.402 4.402 3.992 0.410 25933 3607 1 8 . 1 1 3 3 MET C C 3 176.072 176.072 175.284 0.788 25933 3608 1 8 . 1 1 3 3 MET CA C 3 55.636 55.636 57.098 -1.462 25933 3609 1 8 . 1 1 3 3 MET CB C 3 32.936 32.936 32.219 0.717 25933 3610 1 8 . 1 1 3 3 MET H H 3 8.483 8.483 8.305 0.178 25933 3611 1 8 . 1 1 4 4 GLU N N 4 123.573 123.573 121.006 2.567 25933 3612 1 8 . 1 1 4 4 GLU HA H 4 4.255 4.255 4.590 -0.335 25933 3613 1 8 . 1 1 4 4 GLU C C 4 175.719 175.719 174.350 1.369 25933 3614 1 8 . 1 1 4 4 GLU CA C 4 56.516 56.516 56.182 0.334 25933 3615 1 8 . 1 1 4 4 GLU CB C 4 30.209 30.209 31.372 -1.163 25933 3616 1 8 . 1 1 4 4 GLU H H 4 8.417 8.417 8.201 0.216 25933 3617 1 8 . 1 1 5 5 ARG N N 5 121.879 121.879 125.972 -4.093 25933 3618 1 8 . 1 1 5 5 ARG HA H 5 4.327 4.327 4.615 -0.288 25933 3619 1 8 . 1 1 5 5 ARG C C 5 175.991 175.991 175.465 0.526 25933 3620 1 8 . 1 1 5 5 ARG CA C 5 55.879 55.879 55.714 0.165 25933 3621 1 8 . 1 1 5 5 ARG CB C 5 31.336 31.336 32.706 -1.370 25933 3622 1 8 . 1 1 5 5 ARG H H 5 8.099 8.099 8.606 -0.507 25933 3623 1 8 . 1 1 6 6 GLU N N 6 124.508 124.508 124.886 -0.378 25933 3624 1 8 . 1 1 6 6 GLU HA H 6 4.245 4.245 4.358 -0.113 25933 3625 1 8 . 1 1 6 6 GLU C C 6 174.941 174.941 175.920 -0.979 25933 3626 1 8 . 1 1 6 6 GLU CA C 6 56.775 56.775 55.979 0.796 25933 3627 1 8 . 1 1 6 6 GLU CB C 6 30.421 30.421 31.305 -0.884 25933 3628 1 8 . 1 1 6 6 GLU H H 6 8.560 8.560 8.343 0.217 25933 3629 1 8 . 1 1 7 7 ASP N N 7 117.067 117.067 121.972 -4.905 25933 3630 1 8 . 1 1 7 7 ASP HA H 7 4.520 4.520 4.760 -0.240 25933 3631 1 8 . 1 1 7 7 ASP C C 7 174.744 174.744 174.216 0.528 25933 3632 1 8 . 1 1 7 7 ASP CA C 7 53.697 53.697 54.550 -0.853 25933 3633 1 8 . 1 1 7 7 ASP CB C 7 42.222 42.222 40.951 1.271 25933 3634 1 8 . 1 1 7 7 ASP H H 7 8.237 8.237 8.554 -0.317 25933 3635 1 8 . 1 1 8 8 GLU N N 8 116.268 116.268 118.739 -2.471 25933 3636 1 8 . 1 1 8 8 GLU HA H 8 4.083 4.083 4.384 -0.301 25933 3637 1 8 . 1 1 8 8 GLU C C 8 173.257 173.257 174.081 -0.824 25933 3638 1 8 . 1 1 8 8 GLU CA C 8 54.382 54.382 55.082 -0.700 25933 3639 1 8 . 1 1 8 8 GLU CB C 8 32.438 32.438 32.661 -0.223 25933 3640 1 8 . 1 1 8 8 GLU H H 8 7.005 7.005 7.352 -0.347 25933 3641 1 8 . 1 1 9 9 CYS N N 9 124.211 124.211 124.391 -0.180 25933 3642 1 8 . 1 1 9 9 CYS HA H 9 4.157 4.157 4.828 -0.671 25933 3643 1 8 . 1 1 9 9 CYS C C 9 178.384 178.384 175.836 2.548 25933 3644 1 8 . 1 1 9 9 CYS CA C 9 57.640 57.640 57.818 -0.178 25933 3645 1 8 . 1 1 9 9 CYS CB C 9 31.396 31.396 26.536 4.860 25933 3646 1 8 . 1 1 9 9 CYS H H 9 8.220 8.220 8.752 -0.532 25933 3647 1 8 . 1 1 10 10 PHE N N 10 131.759 131.759 127.863 3.896 25933 3648 1 8 . 1 1 10 10 PHE HA H 10 4.695 4.695 4.154 0.541 25933 3649 1 8 . 1 1 10 10 PHE C C 10 176.194 176.194 176.109 0.085 25933 3650 1 8 . 1 1 10 10 PHE CA C 10 55.935 55.935 60.546 -4.611 25933 3651 1 8 . 1 1 10 10 PHE CB C 10 38.279 38.279 39.693 -1.414 25933 3652 1 8 . 1 1 10 10 PHE H H 10 8.765 8.765 8.226 0.539 25933 3653 1 8 . 1 1 11 11 SER N N 11 114.027 114.027 114.865 -0.838 25933 3654 1 8 . 1 1 11 11 SER HA H 11 4.331 4.331 4.200 0.131 25933 3655 1 8 . 1 1 11 11 SER C C 11 175.836 175.836 174.941 0.895 25933 3656 1 8 . 1 1 11 11 SER CA C 11 61.956 61.956 60.729 1.227 25933 3657 1 8 . 1 1 11 11 SER CB C 11 63.774 63.774 63.476 0.298 25933 3658 1 8 . 1 1 11 11 SER H H 11 8.686 8.686 8.110 0.576 25933 3659 1 8 . 1 1 12 12 CYS N N 12 118.224 118.224 116.629 1.595 25933 3660 1 8 . 1 1 12 12 CYS HA H 12 5.121 5.121 4.783 0.338 25933 3661 1 8 . 1 1 12 12 CYS C C 12 176.817 176.817 175.652 1.165 25933 3662 1 8 . 1 1 12 12 CYS CA C 12 58.693 58.693 59.097 -0.404 25933 3663 1 8 . 1 1 12 12 CYS CB C 12 32.837 32.837 30.828 2.009 25933 3664 1 8 . 1 1 12 12 CYS H H 12 8.195 8.195 7.490 0.705 25933 3665 1 8 . 1 1 13 13 GLY N N 13 114.509 114.509 109.260 5.249 25933 3666 1 8 . 1 1 13 13 GLY C C 13 173.093 173.093 173.392 -0.299 25933 3667 1 8 . 1 1 13 13 GLY CA C 13 46.346 46.346 45.419 0.927 25933 3668 1 8 . 1 1 13 13 GLY H H 13 8.385 8.385 8.564 -0.179 25933 3669 1 8 . 1 1 14 14 ASP N N 14 122.123 122.123 120.068 2.055 25933 3670 1 8 . 1 1 14 14 ASP HA H 14 5.294 5.294 4.885 0.409 25933 3671 1 8 . 1 1 14 14 ASP C C 14 176.111 176.111 174.619 1.492 25933 3672 1 8 . 1 1 14 14 ASP CA C 14 53.304 53.304 53.486 -0.182 25933 3673 1 8 . 1 1 14 14 ASP CB C 14 43.175 43.175 44.793 -1.618 25933 3674 1 8 . 1 1 14 14 ASP H H 14 8.512 8.512 7.877 0.635 25933 3675 1 8 . 1 1 15 15 ALA N N 15 123.765 123.765 122.536 1.229 25933 3676 1 8 . 1 1 15 15 ALA HA H 15 4.679 4.679 4.603 0.076 25933 3677 1 8 . 1 1 15 15 ALA C C 15 177.375 177.375 177.240 0.135 25933 3678 1 8 . 1 1 15 15 ALA CA C 15 51.216 51.216 51.290 -0.074 25933 3679 1 8 . 1 1 15 15 ALA CB C 15 19.842 19.842 21.534 -1.692 25933 3680 1 8 . 1 1 15 15 ALA H H 15 8.538 8.538 8.453 0.085 25933 3681 1 8 . 1 1 16 16 GLY N N 16 108.898 108.898 110.608 -1.710 25933 3682 1 8 . 1 1 16 16 GLY C C 16 172.132 172.132 173.943 -1.811 25933 3683 1 8 . 1 1 16 16 GLY CA C 16 45.320 45.320 45.508 -0.188 25933 3684 1 8 . 1 1 16 16 GLY H H 16 8.304 8.304 8.200 0.104 25933 3685 1 8 . 1 1 17 17 GLN N N 17 125.473 125.473 124.447 1.026 25933 3686 1 8 . 1 1 17 17 GLN HA H 17 4.359 4.359 4.451 -0.092 25933 3687 1 8 . 1 1 17 17 GLN C C 17 175.263 175.263 174.972 0.291 25933 3688 1 8 . 1 1 17 17 GLN CA C 17 55.779 55.779 55.263 0.516 25933 3689 1 8 . 1 1 17 17 GLN CB C 17 27.927 27.927 27.888 0.039 25933 3690 1 8 . 1 1 17 17 GLN H H 17 8.887 8.887 8.526 0.361 25933 3691 1 8 . 1 1 18 18 LEU N N 18 127.246 127.246 124.576 2.670 25933 3692 1 8 . 1 1 18 18 LEU HA H 18 4.714 4.714 5.113 -0.399 25933 3693 1 8 . 1 1 18 18 LEU C C 18 177.078 177.078 176.516 0.562 25933 3694 1 8 . 1 1 18 18 LEU CA C 18 53.755 53.755 53.716 0.039 25933 3695 1 8 . 1 1 18 18 LEU CB C 18 44.191 44.191 43.614 0.577 25933 3696 1 8 . 1 1 18 18 LEU H H 18 8.322 8.322 7.940 0.382 25933 3697 1 8 . 1 1 19 19 VAL N N 19 121.280 121.280 123.235 -1.955 25933 3698 1 8 . 1 1 19 19 VAL HA H 19 4.547 4.547 4.475 0.072 25933 3699 1 8 . 1 1 19 19 VAL C C 19 175.238 175.238 173.997 1.241 25933 3700 1 8 . 1 1 19 19 VAL CA C 19 59.975 59.975 60.422 -0.447 25933 3701 1 8 . 1 1 19 19 VAL CB C 19 33.809 33.809 35.841 -2.032 25933 3702 1 8 . 1 1 19 19 VAL H H 19 9.789 9.789 9.264 0.525 25933 3703 1 8 . 1 1 20 20 SER N N 20 118.562 118.562 123.006 -4.444 25933 3704 1 8 . 1 1 20 20 SER HA H 20 5.062 5.062 4.705 0.357 25933 3705 1 8 . 1 1 20 20 SER C C 20 174.439 174.439 173.843 0.596 25933 3706 1 8 . 1 1 20 20 SER CA C 20 57.132 57.132 57.330 -0.198 25933 3707 1 8 . 1 1 20 20 SER CB C 20 64.811 64.811 64.540 0.271 25933 3708 1 8 . 1 1 20 20 SER H H 20 8.638 8.638 8.422 0.216 25933 3709 1 8 . 1 1 21 21 CYS N N 21 125.432 125.432 125.232 0.200 25933 3710 1 8 . 1 1 21 21 CYS HA H 21 4.311 4.311 4.907 -0.596 25933 3711 1 8 . 1 1 21 21 CYS CA C 21 61.656 61.656 59.284 2.372 25933 3712 1 8 . 1 1 21 21 CYS CB C 21 31.029 31.029 26.707 4.322 25933 3713 1 8 . 1 1 21 21 CYS H H 21 8.132 8.132 8.484 -0.352 25933 3714 1 8 . 1 1 22 22 LYS N N 22 125.587 125.587 130.445 -4.858 25933 3715 1 8 . 1 1 22 22 LYS HA H 22 4.648 4.648 4.288 0.360 25933 3716 1 8 . 1 1 22 22 LYS C C 22 177.460 177.460 175.694 1.766 25933 3717 1 8 . 1 1 22 22 LYS H H 22 8.294 8.294 8.973 -0.679 25933 3718 1 8 . 1 1 23 23 LYS N N 23 130.703 130.703 122.039 8.664 25933 3719 1 8 . 1 1 23 23 LYS HA H 23 4.385 4.385 4.735 -0.350 25933 3720 1 8 . 1 1 23 23 LYS CA C 23 55.222 55.222 52.951 2.271 25933 3721 1 8 . 1 1 23 23 LYS CB C 23 33.949 33.949 34.171 -0.222 25933 3722 1 8 . 1 1 23 23 LYS H H 23 9.496 9.496 7.664 1.832 25933 3723 1 8 . 1 1 24 24 PRO HA H 24 4.198 4.198 4.235 -0.037 25933 3724 1 8 . 1 1 24 24 PRO C C 24 177.835 177.835 177.706 0.129 25933 3725 1 8 . 1 1 24 24 PRO CA C 24 64.454 64.454 64.225 0.229 25933 3726 1 8 . 1 1 24 24 PRO CB C 24 31.420 31.420 31.437 -0.017 25933 3727 1 8 . 1 1 25 25 GLY N N 25 114.246 114.246 111.646 2.600 25933 3728 1 8 . 1 1 25 25 GLY C C 25 173.630 173.630 174.160 -0.530 25933 3729 1 8 . 1 1 25 25 GLY CA C 25 45.200 45.200 44.792 0.408 25933 3730 1 8 . 1 1 25 25 GLY H H 25 8.823 8.823 8.770 0.053 25933 3731 1 8 . 1 1 26 26 CYS N N 26 126.002 126.002 122.123 3.879 25933 3732 1 8 . 1 1 26 26 CYS HA H 26 5.014 5.014 5.022 -0.008 25933 3733 1 8 . 1 1 26 26 CYS CA C 26 56.747 56.747 55.845 0.902 25933 3734 1 8 . 1 1 26 26 CYS CB C 26 32.711 32.711 27.969 4.742 25933 3735 1 8 . 1 1 26 26 CYS H H 26 8.076 8.076 7.837 0.239 25933 3736 1 8 . 1 1 27 27 PRO HA H 27 4.802 4.802 4.919 -0.117 25933 3737 1 8 . 1 1 27 27 PRO C C 27 175.970 175.970 175.666 0.304 25933 3738 1 8 . 1 1 27 27 PRO CA C 27 63.334 63.334 62.824 0.510 25933 3739 1 8 . 1 1 27 27 PRO CB C 27 32.920 32.920 31.911 1.009 25933 3740 1 8 . 1 1 28 28 LYS N N 28 121.413 121.413 119.845 1.568 25933 3741 1 8 . 1 1 28 28 LYS HA H 28 3.889 3.889 4.251 -0.362 25933 3742 1 8 . 1 1 28 28 LYS C C 28 175.961 175.961 174.495 1.466 25933 3743 1 8 . 1 1 28 28 LYS CA C 28 55.327 55.327 55.788 -0.461 25933 3744 1 8 . 1 1 28 28 LYS CB C 28 32.132 32.132 34.093 -1.961 25933 3745 1 8 . 1 1 28 28 LYS H H 28 8.353 8.353 7.422 0.931 25933 3746 1 8 . 1 1 29 29 VAL N N 29 115.183 115.183 119.169 -3.986 25933 3747 1 8 . 1 1 29 29 VAL HA H 29 5.286 5.286 4.383 0.903 25933 3748 1 8 . 1 1 29 29 VAL C C 29 174.480 174.480 172.884 1.596 25933 3749 1 8 . 1 1 29 29 VAL CA C 29 58.616 58.616 60.175 -1.559 25933 3750 1 8 . 1 1 29 29 VAL CB C 29 35.526 35.526 34.763 0.763 25933 3751 1 8 . 1 1 29 29 VAL H H 29 8.346 8.346 8.080 0.266 25933 3752 1 8 . 1 1 30 30 TYR N N 30 114.639 114.639 120.885 -6.246 25933 3753 1 8 . 1 1 30 30 TYR HA H 30 5.821 5.821 4.743 1.078 25933 3754 1 8 . 1 1 30 30 TYR C C 30 177.221 177.221 174.448 2.773 25933 3755 1 8 . 1 1 30 30 TYR CA C 30 56.989 56.989 55.691 1.298 25933 3756 1 8 . 1 1 30 30 TYR CB C 30 45.110 45.110 42.440 2.670 25933 3757 1 8 . 1 1 30 30 TYR H H 30 8.792 8.792 8.761 0.031 25933 3758 1 8 . 1 1 31 31 HIS N N 31 121.470 121.470 119.752 1.718 25933 3759 1 8 . 1 1 31 31 HIS HA H 31 4.890 4.890 5.280 -0.390 25933 3760 1 8 . 1 1 31 31 HIS C C 31 177.595 177.595 176.439 1.156 25933 3761 1 8 . 1 1 31 31 HIS CA C 31 58.141 58.141 55.396 2.745 25933 3762 1 8 . 1 1 31 31 HIS CB C 31 30.737 30.737 30.525 0.212 25933 3763 1 8 . 1 1 31 31 HIS H H 31 9.164 9.164 8.327 0.837 25933 3764 1 8 . 1 1 32 32 ALA N N 32 129.786 129.786 128.450 1.336 25933 3765 1 8 . 1 1 32 32 ALA HA H 32 3.829 3.829 3.916 -0.087 25933 3766 1 8 . 1 1 32 32 ALA C C 32 180.494 180.494 178.486 2.008 25933 3767 1 8 . 1 1 32 32 ALA CA C 32 56.044 56.044 55.661 0.383 25933 3768 1 8 . 1 1 32 32 ALA CB C 32 17.179 17.179 18.815 -1.636 25933 3769 1 8 . 1 1 32 32 ALA H H 32 9.768 9.768 8.406 1.362 25933 3770 1 8 . 1 1 33 33 ASP N N 33 114.332 114.332 118.410 -4.078 25933 3771 1 8 . 1 1 33 33 ASP HA H 33 4.521 4.521 4.348 0.173 25933 3772 1 8 . 1 1 33 33 ASP C C 33 179.006 179.006 178.540 0.466 25933 3773 1 8 . 1 1 33 33 ASP CA C 33 56.541 56.541 57.867 -1.326 25933 3774 1 8 . 1 1 33 33 ASP CB C 33 40.316 40.316 40.808 -0.492 25933 3775 1 8 . 1 1 33 33 ASP H H 33 8.832 8.832 8.673 0.159 25933 3776 1 8 . 1 1 34 34 CYS N N 34 119.035 119.035 115.986 3.049 25933 3777 1 8 . 1 1 34 34 CYS HA H 34 4.224 4.224 4.470 -0.246 25933 3778 1 8 . 1 1 34 34 CYS C C 34 175.978 175.978 176.544 -0.566 25933 3779 1 8 . 1 1 34 34 CYS CA C 34 63.491 63.491 60.156 3.335 25933 3780 1 8 . 1 1 34 34 CYS CB C 34 28.925 28.925 26.337 2.588 25933 3781 1 8 . 1 1 34 34 CYS H H 34 7.364 7.364 8.439 -1.075 25933 3782 1 8 . 1 1 35 35 LEU N N 35 118.363 118.363 119.283 -0.920 25933 3783 1 8 . 1 1 35 35 LEU HA H 35 4.404 4.404 4.379 0.025 25933 3784 1 8 . 1 1 35 35 LEU C C 35 176.327 176.327 176.647 -0.320 25933 3785 1 8 . 1 1 35 35 LEU CA C 35 53.966 53.966 54.772 -0.806 25933 3786 1 8 . 1 1 35 35 LEU CB C 35 42.982 42.982 41.861 1.121 25933 3787 1 8 . 1 1 35 35 LEU H H 35 7.135 7.135 7.745 -0.610 25933 3788 1 8 . 1 1 36 36 ASN N N 36 116.501 116.501 116.768 -0.267 25933 3789 1 8 . 1 1 36 36 ASN HA H 36 4.461 4.461 4.431 0.030 25933 3790 1 8 . 1 1 36 36 ASN C C 36 175.075 175.075 174.721 0.354 25933 3791 1 8 . 1 1 36 36 ASN CA C 36 54.055 54.055 53.883 0.172 25933 3792 1 8 . 1 1 36 36 ASN CB C 36 37.552 37.552 37.404 0.148 25933 3793 1 8 . 1 1 36 36 ASN H H 36 7.974 7.974 7.804 0.170 25933 3794 1 8 . 1 1 37 37 LEU N N 37 119.139 119.139 120.271 -1.132 25933 3795 1 8 . 1 1 37 37 LEU HA H 37 4.472 4.472 4.360 0.112 25933 3796 1 8 . 1 1 37 37 LEU C C 37 178.114 178.114 177.400 0.714 25933 3797 1 8 . 1 1 37 37 LEU CA C 37 54.421 54.421 55.482 -1.061 25933 3798 1 8 . 1 1 37 37 LEU CB C 37 42.937 42.937 40.334 2.603 25933 3799 1 8 . 1 1 37 37 LEU H H 37 7.953 7.953 8.522 -0.569 25933 3800 1 8 . 1 1 38 38 THR N N 38 113.698 113.698 118.810 -5.112 25933 3801 1 8 . 1 1 38 38 THR HA H 38 4.224 4.224 4.188 0.036 25933 3802 1 8 . 1 1 38 38 THR C C 38 174.325 174.325 174.879 -0.554 25933 3803 1 8 . 1 1 38 38 THR CA C 38 62.608 62.608 64.252 -1.644 25933 3804 1 8 . 1 1 38 38 THR CB C 38 69.163 69.163 69.263 -0.100 25933 3805 1 8 . 1 1 38 38 THR H H 38 8.465 8.465 8.050 0.414 25933 3806 1 8 . 1 1 39 39 LYS N N 39 120.070 120.070 121.270 -1.200 25933 3807 1 8 . 1 1 39 39 LYS HA H 39 4.383 4.383 4.415 -0.032 25933 3808 1 8 . 1 1 39 39 LYS C C 39 175.570 175.570 175.501 0.069 25933 3809 1 8 . 1 1 39 39 LYS CA C 39 54.864 54.864 54.838 0.026 25933 3810 1 8 . 1 1 39 39 LYS CB C 39 34.079 34.079 33.309 0.770 25933 3811 1 8 . 1 1 39 39 LYS H H 39 7.595 7.595 8.066 -0.471 25933 3812 1 8 . 1 1 40 40 ARG N N 40 123.383 123.383 125.597 -2.214 25933 3813 1 8 . 1 1 40 40 ARG HA H 40 4.163 4.163 4.269 -0.106 25933 3814 1 8 . 1 1 40 40 ARG CA C 40 54.474 54.474 54.937 -0.463 25933 3815 1 8 . 1 1 40 40 ARG CB C 40 29.745 29.745 30.302 -0.557 25933 3816 1 8 . 1 1 40 40 ARG H H 40 8.372 8.372 8.386 -0.014 25933 3817 1 8 . 1 1 41 41 PRO HA H 41 4.081 4.081 4.371 -0.290 25933 3818 1 8 . 1 1 41 41 PRO C C 41 176.215 176.215 175.239 0.976 25933 3819 1 8 . 1 1 41 41 PRO CA C 41 63.151 63.151 62.856 0.295 25933 3820 1 8 . 1 1 41 41 PRO CB C 41 32.154 32.154 32.426 -0.272 25933 3821 1 8 . 1 1 42 42 ALA N N 42 126.233 126.233 124.620 1.613 25933 3822 1 8 . 1 1 42 42 ALA HA H 42 4.447 4.447 4.498 -0.051 25933 3823 1 8 . 1 1 42 42 ALA C C 42 177.947 177.947 177.154 0.793 25933 3824 1 8 . 1 1 42 42 ALA CA C 42 51.741 51.741 51.456 0.285 25933 3825 1 8 . 1 1 42 42 ALA CB C 42 20.295 20.295 20.428 -0.133 25933 3826 1 8 . 1 1 42 42 ALA H H 42 8.368 8.368 8.158 0.210 25933 3827 1 8 . 1 1 43 43 GLY N N 43 108.071 108.071 111.537 -3.466 25933 3828 1 8 . 1 1 43 43 GLY C C 43 174.630 174.630 174.201 0.429 25933 3829 1 8 . 1 1 43 43 GLY CA C 43 45.871 45.871 44.806 1.065 25933 3830 1 8 . 1 1 43 43 GLY H H 43 8.499 8.499 8.352 0.147 25933 3831 1 8 . 1 1 44 44 LYS N N 44 123.859 123.859 123.824 0.035 25933 3832 1 8 . 1 1 44 44 LYS HA H 44 4.325 4.325 4.382 -0.057 25933 3833 1 8 . 1 1 44 44 LYS CA C 44 56.012 56.012 56.175 -0.163 25933 3834 1 8 . 1 1 44 44 LYS CB C 44 31.307 31.307 32.651 -1.345 25933 3835 1 8 . 1 1 44 44 LYS H H 44 8.485 8.485 8.373 0.112 25933 3836 1 8 . 1 1 45 45 TRP N N 45 124.364 124.364 127.994 -3.630 25933 3837 1 8 . 1 1 45 45 TRP HA H 45 4.317 4.317 4.804 -0.487 25933 3838 1 8 . 1 1 45 45 TRP CA C 45 58.972 58.972 55.908 3.064 25933 3839 1 8 . 1 1 45 45 TRP CB C 45 29.468 29.468 31.023 -1.555 25933 3840 1 8 . 1 1 45 45 TRP H H 45 7.419 7.419 8.671 -1.252 25933 3841 1 8 . 1 1 46 46 GLU N N 46 124.890 124.890 128.177 -3.287 25933 3842 1 8 . 1 1 46 46 GLU HA H 46 4.623 4.623 4.356 0.267 25933 3843 1 8 . 1 1 46 46 GLU CA C 46 53.864 53.864 54.898 -1.034 25933 3844 1 8 . 1 1 46 46 GLU H H 46 7.623 7.623 8.328 -0.705 25933 3845 1 8 . 1 1 47 47 CYS N N 47 130.384 130.384 122.571 7.813 25933 3846 1 8 . 1 1 47 47 CYS HA H 47 4.623 4.623 3.540 1.083 25933 3847 1 8 . 1 1 47 47 CYS H H 47 9.574 9.574 7.607 1.967 25933 3848 1 8 . 1 1 48 48 PRO HA H 48 4.704 4.704 4.198 0.506 25933 3849 1 8 . 1 1 48 48 PRO C C 48 177.973 177.973 177.624 0.349 25933 3850 1 8 . 1 1 48 48 PRO CA C 48 64.380 64.380 64.554 -0.174 25933 3851 1 8 . 1 1 48 48 PRO CB C 48 31.545 31.545 31.429 0.116 25933 3852 1 8 . 1 1 49 49 TRP N N 49 124.314 124.314 119.524 4.790 25933 3853 1 8 . 1 1 49 49 TRP HA H 49 5.248 5.248 4.594 0.654 25933 3854 1 8 . 1 1 49 49 TRP C C 49 179.054 179.054 175.207 3.847 25933 3855 1 8 . 1 1 49 49 TRP CA C 49 56.304 56.304 57.274 -0.970 25933 3856 1 8 . 1 1 49 49 TRP CB C 49 31.375 31.375 28.336 3.039 25933 3857 1 8 . 1 1 49 49 TRP H H 49 8.504 8.504 7.718 0.786 25933 3858 1 8 . 1 1 50 50 HIS N N 50 110.531 110.531 113.149 -2.618 25933 3859 1 8 . 1 1 50 50 HIS HA H 50 4.479 4.479 4.595 -0.116 25933 3860 1 8 . 1 1 50 50 HIS C C 50 175.070 175.070 174.898 0.172 25933 3861 1 8 . 1 1 50 50 HIS CA C 50 56.068 56.068 55.145 0.923 25933 3862 1 8 . 1 1 50 50 HIS CB C 50 28.267 28.267 30.327 -2.060 25933 3863 1 8 . 1 1 50 50 HIS H H 50 7.178 7.178 7.712 -0.534 25933 3864 1 8 . 1 1 51 51 GLN N N 51 118.176 118.176 118.676 -0.500 25933 3865 1 8 . 1 1 51 51 GLN HA H 51 4.638 4.638 4.940 -0.302 25933 3866 1 8 . 1 1 51 51 GLN C C 51 172.785 172.785 174.941 -2.156 25933 3867 1 8 . 1 1 51 51 GLN CA C 51 54.266 54.266 53.682 0.584 25933 3868 1 8 . 1 1 51 51 GLN CB C 51 30.779 30.779 30.760 0.019 25933 3869 1 8 . 1 1 51 51 GLN H H 51 7.243 7.243 7.467 -0.224 25933 3870 1 8 . 1 1 52 52 CYS N N 52 123.532 123.532 126.639 -3.107 25933 3871 1 8 . 1 1 52 52 CYS HA H 52 4.049 4.049 4.500 -0.451 25933 3872 1 8 . 1 1 52 52 CYS C C 52 177.807 177.807 176.398 1.409 25933 3873 1 8 . 1 1 52 52 CYS CA C 52 58.257 58.257 59.366 -1.109 25933 3874 1 8 . 1 1 52 52 CYS CB C 52 31.165 31.165 27.209 3.956 25933 3875 1 8 . 1 1 52 52 CYS H H 52 9.344 9.344 9.149 0.195 25933 3876 1 8 . 1 1 53 53 ASP N N 53 134.328 134.328 128.715 5.613 25933 3877 1 8 . 1 1 53 53 ASP HA H 53 4.190 4.190 4.383 -0.193 25933 3878 1 8 . 1 1 53 53 ASP C C 53 176.732 176.732 176.669 0.063 25933 3879 1 8 . 1 1 53 53 ASP CA C 53 57.384 57.384 56.612 0.772 25933 3880 1 8 . 1 1 53 53 ASP CB C 53 41.122 41.122 40.872 0.250 25933 3881 1 8 . 1 1 53 53 ASP H H 53 9.185 9.185 8.922 0.263 25933 3882 1 8 . 1 1 54 54 VAL N N 54 119.653 119.653 118.662 0.991 25933 3883 1 8 . 1 1 54 54 VAL HA H 54 3.877 3.877 3.992 -0.115 25933 3884 1 8 . 1 1 54 54 VAL C C 54 177.243 177.243 176.668 0.575 25933 3885 1 8 . 1 1 54 54 VAL CA C 54 65.092 65.092 64.255 0.837 25933 3886 1 8 . 1 1 54 54 VAL CB C 54 33.012 33.012 33.032 -0.020 25933 3887 1 8 . 1 1 54 54 VAL H H 54 8.796 8.796 7.898 0.898 25933 3888 1 8 . 1 1 55 55 CYS N N 55 115.992 115.992 115.084 0.908 25933 3889 1 8 . 1 1 55 55 CYS HA H 55 5.112 5.112 5.019 0.093 25933 3890 1 8 . 1 1 55 55 CYS C C 55 176.818 176.818 176.132 0.686 25933 3891 1 8 . 1 1 55 55 CYS CA C 55 58.337 58.337 57.657 0.680 25933 3892 1 8 . 1 1 55 55 CYS CB C 55 34.324 34.324 30.149 4.175 25933 3893 1 8 . 1 1 55 55 CYS H H 55 7.604 7.604 8.120 -0.516 25933 3894 1 8 . 1 1 56 56 GLY N N 56 114.227 114.227 111.299 2.928 25933 3895 1 8 . 1 1 56 56 GLY C C 56 173.824 173.824 174.291 -0.467 25933 3896 1 8 . 1 1 56 56 GLY CA C 56 46.409 46.409 45.567 0.842 25933 3897 1 8 . 1 1 56 56 GLY H H 56 8.548 8.548 8.808 -0.260 25933 3898 1 8 . 1 1 57 57 LYS N N 57 122.126 122.126 121.047 1.079 25933 3899 1 8 . 1 1 57 57 LYS HA H 57 4.412 4.412 4.167 0.245 25933 3900 1 8 . 1 1 57 57 LYS C C 57 175.055 175.055 175.987 -0.932 25933 3901 1 8 . 1 1 57 57 LYS CA C 57 56.717 56.717 56.361 0.356 25933 3902 1 8 . 1 1 57 57 LYS CB C 57 33.143 33.143 33.191 -0.048 25933 3903 1 8 . 1 1 57 57 LYS H H 57 8.314 8.314 7.472 0.842 25933 3904 1 8 . 1 1 58 58 GLU N N 58 120.782 120.782 120.784 -0.002 25933 3905 1 8 . 1 1 58 58 GLU HA H 58 4.153 4.153 4.388 -0.235 25933 3906 1 8 . 1 1 58 58 GLU C C 58 176.662 176.662 176.550 0.112 25933 3907 1 8 . 1 1 58 58 GLU CA C 58 57.913 57.913 56.992 0.921 25933 3908 1 8 . 1 1 58 58 GLU CB C 58 29.825 29.825 30.236 -0.411 25933 3909 1 8 . 1 1 58 58 GLU H H 58 8.502 8.502 8.622 -0.120 25933 3910 1 8 . 1 1 59 59 ALA N N 59 127.052 127.052 129.312 -2.260 25933 3911 1 8 . 1 1 59 59 ALA HA H 59 3.402 3.402 4.322 -0.920 25933 3912 1 8 . 1 1 59 59 ALA C C 59 175.529 175.529 176.096 -0.567 25933 3913 1 8 . 1 1 59 59 ALA CA C 59 52.238 52.238 52.302 -0.064 25933 3914 1 8 . 1 1 59 59 ALA CB C 59 19.006 19.006 19.475 -0.469 25933 3915 1 8 . 1 1 59 59 ALA H H 59 7.812 7.812 8.781 -0.969 25933 3916 1 8 . 1 1 60 60 ALA N N 60 122.703 122.703 125.303 -2.600 25933 3917 1 8 . 1 1 60 60 ALA HA H 60 4.473 4.473 4.408 0.065 25933 3918 1 8 . 1 1 60 60 ALA C C 60 176.087 176.087 176.780 -0.693 25933 3919 1 8 . 1 1 60 60 ALA CA C 60 51.930 51.930 52.607 -0.677 25933 3920 1 8 . 1 1 60 60 ALA CB C 60 23.146 23.146 20.140 3.006 25933 3921 1 8 . 1 1 60 60 ALA H H 60 8.356 8.356 8.278 0.078 25933 3922 1 8 . 1 1 61 61 SER N N 61 114.279 114.279 114.346 -0.067 25933 3923 1 8 . 1 1 61 61 SER HA H 61 4.637 4.637 4.229 0.408 25933 3924 1 8 . 1 1 61 61 SER C C 61 171.865 171.865 172.686 -0.821 25933 3925 1 8 . 1 1 61 61 SER CA C 61 58.060 58.060 56.720 1.340 25933 3926 1 8 . 1 1 61 61 SER CB C 61 66.719 66.719 64.734 1.986 25933 3927 1 8 . 1 1 61 61 SER H H 61 7.427 7.427 7.599 -0.172 25933 3928 1 8 . 1 1 62 62 PHE N N 62 123.075 123.075 120.500 2.575 25933 3929 1 8 . 1 1 62 62 PHE HA H 62 4.342 4.342 4.583 -0.241 25933 3930 1 8 . 1 1 62 62 PHE C C 62 174.547 174.547 175.539 -0.992 25933 3931 1 8 . 1 1 62 62 PHE CA C 62 57.701 57.701 56.080 1.621 25933 3932 1 8 . 1 1 62 62 PHE CB C 62 41.207 41.207 41.037 0.170 25933 3933 1 8 . 1 1 62 62 PHE H H 62 8.193 8.193 7.822 0.371 25933 3934 1 8 . 1 1 63 63 CYS N N 63 126.326 126.326 125.027 1.299 25933 3935 1 8 . 1 1 63 63 CYS HA H 63 4.297 4.297 4.599 -0.302 25933 3936 1 8 . 1 1 63 63 CYS C C 63 176.289 176.289 176.323 -0.034 25933 3937 1 8 . 1 1 63 63 CYS CA C 63 61.098 61.098 58.936 2.162 25933 3938 1 8 . 1 1 63 63 CYS CB C 63 29.621 29.621 27.433 2.188 25933 3939 1 8 . 1 1 63 63 CYS H H 63 9.106 9.106 9.008 0.098 25933 3940 1 8 . 1 1 64 64 GLU N N 64 124.601 124.601 129.417 -4.816 25933 3941 1 8 . 1 1 64 64 GLU HA H 64 4.887 4.887 4.785 0.102 25933 3942 1 8 . 1 1 64 64 GLU C C 64 177.682 177.682 176.974 0.708 25933 3943 1 8 . 1 1 64 64 GLU CA C 64 58.619 58.619 57.806 0.813 25933 3944 1 8 . 1 1 64 64 GLU CB C 64 30.567 30.567 29.725 0.842 25933 3945 1 8 . 1 1 64 64 GLU H H 64 8.911 8.911 9.325 -0.414 25933 3946 1 8 . 1 1 65 65 MET N N 65 121.669 121.669 115.818 5.851 25933 3947 1 8 . 1 1 65 65 MET HA H 65 4.536 4.536 4.719 -0.183 25933 3948 1 8 . 1 1 65 65 MET C C 65 173.906 173.906 175.033 -1.127 25933 3949 1 8 . 1 1 65 65 MET CA C 65 56.157 56.157 55.699 0.458 25933 3950 1 8 . 1 1 65 65 MET CB C 65 33.770 33.770 34.889 -1.119 25933 3951 1 8 . 1 1 65 65 MET H H 65 9.972 9.972 8.517 1.455 25933 3952 1 8 . 1 1 66 66 CYS N N 66 127.827 127.827 114.881 12.946 25933 3953 1 8 . 1 1 66 66 CYS HA H 66 3.424 3.424 4.741 -1.317 25933 3954 1 8 . 1 1 66 66 CYS CA C 66 57.581 57.581 56.724 0.857 25933 3955 1 8 . 1 1 66 66 CYS CB C 66 29.900 29.900 28.918 0.982 25933 3956 1 8 . 1 1 66 66 CYS H H 66 8.286 8.286 7.880 0.406 25933 3957 1 8 . 1 1 67 67 PRO HA H 67 4.660 4.660 4.441 0.219 25933 3958 1 8 . 1 1 67 67 PRO C C 67 176.387 176.387 176.052 0.335 25933 3959 1 8 . 1 1 67 67 PRO CA C 67 64.462 64.462 63.609 0.853 25933 3960 1 8 . 1 1 67 67 PRO CB C 67 31.018 31.018 31.559 -0.541 25933 3961 1 8 . 1 1 68 68 SER N N 68 122.983 122.983 117.378 5.605 25933 3962 1 8 . 1 1 68 68 SER HA H 68 5.148 5.148 4.444 0.704 25933 3963 1 8 . 1 1 68 68 SER C C 68 173.421 173.421 173.462 -0.041 25933 3964 1 8 . 1 1 68 68 SER CA C 68 59.799 59.799 57.783 2.016 25933 3965 1 8 . 1 1 68 68 SER CB C 68 64.047 64.047 62.869 1.178 25933 3966 1 8 . 1 1 68 68 SER H H 68 8.864 8.864 7.684 1.180 25933 3967 1 8 . 1 1 69 69 SER N N 69 115.147 115.147 120.947 -5.800 25933 3968 1 8 . 1 1 69 69 SER HA H 69 4.443 4.443 4.633 -0.190 25933 3969 1 8 . 1 1 69 69 SER C C 69 171.436 171.436 172.789 -1.353 25933 3970 1 8 . 1 1 69 69 SER CA C 69 56.585 56.585 56.988 -0.403 25933 3971 1 8 . 1 1 69 69 SER CB C 69 63.959 63.959 64.970 -1.011 25933 3972 1 8 . 1 1 69 69 SER H H 69 7.874 7.874 7.905 -0.031 25933 3973 1 8 . 1 1 70 70 PHE N N 70 112.477 112.477 116.998 -4.521 25933 3974 1 8 . 1 1 70 70 PHE HA H 70 6.052 6.052 5.029 1.023 25933 3975 1 8 . 1 1 70 70 PHE C C 70 176.905 176.905 175.400 1.505 25933 3976 1 8 . 1 1 70 70 PHE CA C 70 57.026 57.026 56.844 0.182 25933 3977 1 8 . 1 1 70 70 PHE CB C 70 45.774 45.774 43.476 2.298 25933 3978 1 8 . 1 1 70 70 PHE H H 70 8.192 8.192 8.708 -0.516 25933 3979 1 8 . 1 1 71 71 CYS N N 71 121.843 121.843 118.813 3.030 25933 3980 1 8 . 1 1 71 71 CYS HA H 71 4.806 4.806 4.929 -0.123 25933 3981 1 8 . 1 1 71 71 CYS C C 71 174.332 174.332 176.004 -1.672 25933 3982 1 8 . 1 1 71 71 CYS CA C 71 58.618 58.618 56.755 1.863 25933 3983 1 8 . 1 1 71 71 CYS CB C 71 30.249 30.249 30.319 -0.070 25933 3984 1 8 . 1 1 71 71 CYS H H 71 9.511 9.511 8.633 0.878 25933 3985 1 8 . 1 1 72 72 LYS N N 72 118.091 118.091 119.358 -1.267 25933 3986 1 8 . 1 1 72 72 LYS HA H 72 3.679 3.679 3.866 -0.187 25933 3987 1 8 . 1 1 72 72 LYS C C 72 177.831 177.831 178.745 -0.914 25933 3988 1 8 . 1 1 72 72 LYS CA C 72 60.445 60.445 59.436 1.009 25933 3989 1 8 . 1 1 72 72 LYS CB C 72 32.277 32.277 32.169 0.108 25933 3990 1 8 . 1 1 72 72 LYS H H 72 8.804 8.804 8.657 0.147 25933 3991 1 8 . 1 1 73 73 GLN N N 73 118.381 118.381 116.556 1.825 25933 3992 1 8 . 1 1 73 73 GLN HA H 73 4.078 4.078 4.013 0.065 25933 3993 1 8 . 1 1 73 73 GLN C C 73 177.491 177.491 178.070 -0.579 25933 3994 1 8 . 1 1 73 73 GLN CA C 73 57.894 57.894 58.031 -0.137 25933 3995 1 8 . 1 1 73 73 GLN CB C 73 28.754 28.754 28.833 -0.079 25933 3996 1 8 . 1 1 73 73 GLN H H 73 8.139 8.139 7.640 0.499 25933 3997 1 8 . 1 1 74 74 HIS N N 74 117.140 117.140 114.612 2.528 25933 3998 1 8 . 1 1 74 74 HIS HA H 74 5.015 5.015 4.703 0.312 25933 3999 1 8 . 1 1 74 74 HIS C C 74 174.206 174.206 175.639 -1.433 25933 4000 1 8 . 1 1 74 74 HIS CA C 74 57.692 57.692 55.587 2.105 25933 4001 1 8 . 1 1 74 74 HIS CB C 74 32.739 32.739 30.220 2.519 25933 4002 1 8 . 1 1 74 74 HIS H H 74 7.628 7.628 7.408 0.220 25933 4003 1 8 . 1 1 75 75 ARG N N 75 115.977 115.977 117.965 -1.988 25933 4004 1 8 . 1 1 75 75 ARG HA H 75 3.699 3.699 4.164 -0.465 25933 4005 1 8 . 1 1 75 75 ARG C C 75 176.493 176.493 176.053 0.440 25933 4006 1 8 . 1 1 75 75 ARG CA C 75 57.925 57.925 57.321 0.604 25933 4007 1 8 . 1 1 75 75 ARG CB C 75 30.179 30.179 30.840 -0.661 25933 4008 1 8 . 1 1 75 75 ARG H H 75 7.415 7.415 7.688 -0.273 25933 4009 1 8 . 1 1 76 76 GLU N N 76 123.649 123.649 120.884 2.765 25933 4010 1 8 . 1 1 76 76 GLU HA H 76 3.955 3.955 4.190 -0.235 25933 4011 1 8 . 1 1 76 76 GLU C C 76 177.401 177.401 177.556 -0.155 25933 4012 1 8 . 1 1 76 76 GLU CA C 76 58.208 58.208 56.991 1.217 25933 4013 1 8 . 1 1 76 76 GLU CB C 76 28.668 28.668 28.592 0.076 25933 4014 1 8 . 1 1 76 76 GLU H H 76 8.094 8.094 7.573 0.521 25933 4015 1 8 . 1 1 77 77 GLY N N 77 114.787 114.787 114.102 0.685 25933 4016 1 8 . 1 1 77 77 GLY C C 77 174.193 174.193 174.877 -0.684 25933 4017 1 8 . 1 1 77 77 GLY CA C 77 45.502 45.502 46.448 -0.946 25933 4018 1 8 . 1 1 77 77 GLY H H 77 8.831 8.831 9.048 -0.217 25933 4019 1 8 . 1 1 78 78 MET N N 78 115.494 115.494 117.357 -1.863 25933 4020 1 8 . 1 1 78 78 MET HA H 78 4.608 4.608 4.462 0.146 25933 4021 1 8 . 1 1 78 78 MET C C 78 175.808 175.808 174.837 0.971 25933 4022 1 8 . 1 1 78 78 MET CA C 78 53.865 53.865 54.865 -1.000 25933 4023 1 8 . 1 1 78 78 MET CB C 78 33.146 33.146 33.790 -0.644 25933 4024 1 8 . 1 1 78 78 MET H H 78 7.320 7.320 7.415 -0.095 25933 4025 1 8 . 1 1 79 79 LEU N N 79 116.112 116.112 120.130 -4.018 25933 4026 1 8 . 1 1 79 79 LEU HA H 79 5.083 5.083 4.676 0.407 25933 4027 1 8 . 1 1 79 79 LEU C C 79 175.580 175.580 174.576 1.004 25933 4028 1 8 . 1 1 79 79 LEU CA C 79 52.710 52.710 53.828 -1.118 25933 4029 1 8 . 1 1 79 79 LEU CB C 79 46.268 46.268 45.269 0.999 25933 4030 1 8 . 1 1 79 79 LEU H H 79 6.783 6.783 7.692 -0.909 25933 4031 1 8 . 1 1 80 80 PHE N N 80 121.484 121.484 120.652 0.832 25933 4032 1 8 . 1 1 80 80 PHE HA H 80 4.773 4.773 4.923 -0.150 25933 4033 1 8 . 1 1 80 80 PHE C C 80 174.354 174.354 173.624 0.730 25933 4034 1 8 . 1 1 80 80 PHE CA C 80 56.225 56.225 55.551 0.674 25933 4035 1 8 . 1 1 80 80 PHE CB C 80 42.377 42.377 41.314 1.063 25933 4036 1 8 . 1 1 80 80 PHE H H 80 9.296 9.296 8.288 1.008 25933 4037 1 8 . 1 1 81 81 ILE N N 81 123.854 123.854 120.742 3.112 25933 4038 1 8 . 1 1 81 81 ILE HA H 81 4.088 4.088 4.333 -0.245 25933 4039 1 8 . 1 1 81 81 ILE C C 81 176.829 176.829 176.206 0.623 25933 4040 1 8 . 1 1 81 81 ILE CA C 81 60.636 60.636 60.526 0.110 25933 4041 1 8 . 1 1 81 81 ILE CB C 81 37.486 37.486 37.480 0.006 25933 4042 1 8 . 1 1 81 81 ILE H H 81 8.798 8.798 8.477 0.321 25933 4043 1 8 . 1 1 82 82 SER N N 82 124.730 124.730 122.673 2.057 25933 4044 1 8 . 1 1 82 82 SER HA H 82 4.530 4.530 4.572 -0.042 25933 4045 1 8 . 1 1 82 82 SER C C 82 177.460 177.460 175.080 2.380 25933 4046 1 8 . 1 1 82 82 SER CA C 82 58.180 58.180 58.740 -0.560 25933 4047 1 8 . 1 1 82 82 SER CB C 82 64.054 64.054 64.159 -0.105 25933 4048 1 8 . 1 1 82 82 SER H H 82 8.898 8.898 8.874 0.024 25933 4049 1 8 . 1 1 83 83 LYS N N 83 129.518 129.518 128.029 1.489 25933 4050 1 8 . 1 1 83 83 LYS HA H 83 4.198 4.198 4.203 -0.005 25933 4051 1 8 . 1 1 83 83 LYS C C 83 177.173 177.173 177.189 -0.016 25933 4052 1 8 . 1 1 83 83 LYS CA C 83 57.848 57.848 58.608 -0.760 25933 4053 1 8 . 1 1 83 83 LYS CB C 83 32.376 32.376 32.356 0.020 25933 4054 1 8 . 1 1 83 83 LYS H H 83 9.269 9.269 8.891 0.378 25933 4055 1 8 . 1 1 84 84 LEU N N 84 120.539 120.539 119.846 0.693 25933 4056 1 8 . 1 1 84 84 LEU HA H 84 4.284 4.284 4.264 0.020 25933 4057 1 8 . 1 1 84 84 LEU C C 84 178.443 178.443 178.584 -0.141 25933 4058 1 8 . 1 1 84 84 LEU CA C 84 56.827 56.827 56.984 -0.158 25933 4059 1 8 . 1 1 84 84 LEU CB C 84 41.901 41.901 42.586 -0.685 25933 4060 1 8 . 1 1 84 84 LEU H H 84 8.364 8.364 7.751 0.613 25933 4061 1 8 . 1 1 85 85 ASP N N 85 114.333 114.333 115.328 -0.995 25933 4062 1 8 . 1 1 85 85 ASP HA H 85 4.737 4.737 4.798 -0.061 25933 4063 1 8 . 1 1 85 85 ASP C C 85 177.413 177.413 177.410 0.003 25933 4064 1 8 . 1 1 85 85 ASP CA C 85 53.056 53.056 54.637 -1.581 25933 4065 1 8 . 1 1 85 85 ASP CB C 85 42.065 42.065 42.802 -0.737 25933 4066 1 8 . 1 1 85 85 ASP H H 85 7.326 7.326 8.383 -1.057 25933 4067 1 8 . 1 1 86 86 GLY N N 86 108.607 108.607 108.520 0.087 25933 4068 1 8 . 1 1 86 86 GLY C C 86 174.036 174.036 173.895 0.141 25933 4069 1 8 . 1 1 86 86 GLY CA C 86 46.037 46.037 45.535 0.502 25933 4070 1 8 . 1 1 86 86 GLY H H 86 7.901 7.901 7.902 -0.001 25933 4071 1 8 . 1 1 87 87 ARG N N 87 120.598 120.598 120.065 0.533 25933 4072 1 8 . 1 1 87 87 ARG HA H 87 4.345 4.345 4.406 -0.061 25933 4073 1 8 . 1 1 87 87 ARG C C 87 175.968 175.968 176.657 -0.689 25933 4074 1 8 . 1 1 87 87 ARG CA C 87 56.810 56.810 55.933 0.877 25933 4075 1 8 . 1 1 87 87 ARG CB C 87 31.934 31.934 31.008 0.926 25933 4076 1 8 . 1 1 87 87 ARG H H 87 7.948 7.948 7.804 0.144 25933 4077 1 8 . 1 1 88 88 LEU N N 88 126.752 126.752 125.150 1.602 25933 4078 1 8 . 1 1 88 88 LEU HA H 88 4.576 4.576 4.532 0.044 25933 4079 1 8 . 1 1 88 88 LEU C C 88 176.060 176.060 176.182 -0.122 25933 4080 1 8 . 1 1 88 88 LEU CA C 88 55.558 55.558 55.782 -0.224 25933 4081 1 8 . 1 1 88 88 LEU CB C 88 42.815 42.815 41.765 1.050 25933 4082 1 8 . 1 1 88 88 LEU H H 88 8.968 8.968 9.276 -0.308 25933 4083 1 8 . 1 1 89 89 SER N N 89 118.859 118.859 119.743 -0.884 25933 4084 1 8 . 1 1 89 89 SER HA H 89 6.146 6.146 5.142 1.004 25933 4085 1 8 . 1 1 89 89 SER C C 89 174.338 174.338 173.429 0.909 25933 4086 1 8 . 1 1 89 89 SER CA C 89 56.311 56.311 56.264 0.047 25933 4087 1 8 . 1 1 89 89 SER CB C 89 67.072 67.072 65.699 1.373 25933 4088 1 8 . 1 1 89 89 SER H H 89 9.083 9.083 8.967 0.116 25933 4089 1 8 . 1 1 90 90 CYS N N 90 128.907 128.907 124.193 4.714 25933 4090 1 8 . 1 1 90 90 CYS HA H 90 5.815 5.815 5.356 0.459 25933 4091 1 8 . 1 1 90 90 CYS C C 90 176.386 176.386 177.290 -0.904 25933 4092 1 8 . 1 1 90 90 CYS CA C 90 58.908 58.908 55.797 3.111 25933 4093 1 8 . 1 1 90 90 CYS CB C 90 29.444 29.444 30.039 -0.595 25933 4094 1 8 . 1 1 90 90 CYS H H 90 10.389 10.389 8.208 2.181 25933 4095 1 8 . 1 1 91 91 THR N N 91 108.692 108.692 112.487 -3.795 25933 4096 1 8 . 1 1 91 91 THR HA H 91 4.398 4.398 4.309 0.089 25933 4097 1 8 . 1 1 91 91 THR C C 91 175.912 175.912 175.314 0.598 25933 4098 1 8 . 1 1 91 91 THR CA C 91 63.576 63.576 64.631 -1.055 25933 4099 1 8 . 1 1 91 91 THR CB C 91 69.172 69.172 68.257 0.915 25933 4100 1 8 . 1 1 91 91 THR H H 91 8.435 8.435 8.388 0.047 25933 4101 1 8 . 1 1 92 92 GLU N N 92 123.418 123.418 119.147 4.271 25933 4102 1 8 . 1 1 92 92 GLU HA H 92 4.280 4.280 4.311 -0.031 25933 4103 1 8 . 1 1 92 92 GLU C C 92 175.937 175.937 177.177 -1.240 25933 4104 1 8 . 1 1 92 92 GLU CA C 92 56.582 56.582 56.978 -0.396 25933 4105 1 8 . 1 1 92 92 GLU CB C 92 28.887 28.887 29.275 -0.388 25933 4106 1 8 . 1 1 92 92 GLU H H 92 8.626 8.626 7.755 0.871 25933 4107 1 8 . 1 1 93 93 HIS N N 93 117.178 117.178 118.316 -1.138 25933 4108 1 8 . 1 1 93 93 HIS HA H 93 4.789 4.789 4.902 -0.113 25933 4109 1 8 . 1 1 93 93 HIS C C 93 174.016 174.016 174.208 -0.192 25933 4110 1 8 . 1 1 93 93 HIS CA C 93 54.275 54.275 53.920 0.355 25933 4111 1 8 . 1 1 93 93 HIS CB C 93 29.373 29.373 28.563 0.810 25933 4112 1 8 . 1 1 93 93 HIS H H 93 7.244 7.244 7.581 -0.337 25933 4113 1 9 . 1 1 2 2 ALA N N 2 124.503 124.503 123.906 0.597 25933 4114 1 9 . 1 1 2 2 ALA HA H 2 4.337 4.337 4.534 -0.197 25933 4115 1 9 . 1 1 2 2 ALA C C 2 177.688 177.688 178.190 -0.502 25933 4116 1 9 . 1 1 2 2 ALA CA C 2 52.598 52.598 52.049 0.549 25933 4117 1 9 . 1 1 2 2 ALA CB C 2 19.375 19.375 19.586 -0.211 25933 4118 1 9 . 1 1 2 2 ALA H H 2 8.639 8.639 8.108 0.531 25933 4119 1 9 . 1 1 3 3 MET N N 3 120.183 120.183 117.540 2.643 25933 4120 1 9 . 1 1 3 3 MET HA H 3 4.402 4.402 4.344 0.058 25933 4121 1 9 . 1 1 3 3 MET C C 3 176.072 176.072 175.907 0.165 25933 4122 1 9 . 1 1 3 3 MET CA C 3 55.636 55.636 55.926 -0.290 25933 4123 1 9 . 1 1 3 3 MET CB C 3 32.936 32.936 33.262 -0.326 25933 4124 1 9 . 1 1 3 3 MET H H 3 8.483 8.483 7.805 0.678 25933 4125 1 9 . 1 1 4 4 GLU N N 4 123.573 123.573 119.014 4.559 25933 4126 1 9 . 1 1 4 4 GLU HA H 4 4.255 4.255 4.116 0.139 25933 4127 1 9 . 1 1 4 4 GLU C C 4 175.719 175.719 176.205 -0.486 25933 4128 1 9 . 1 1 4 4 GLU CA C 4 56.516 56.516 56.987 -0.471 25933 4129 1 9 . 1 1 4 4 GLU CB C 4 30.209 30.209 30.099 0.110 25933 4130 1 9 . 1 1 4 4 GLU H H 4 8.417 8.417 8.036 0.381 25933 4131 1 9 . 1 1 5 5 ARG N N 5 121.879 121.879 123.028 -1.149 25933 4132 1 9 . 1 1 5 5 ARG HA H 5 4.327 4.327 3.886 0.441 25933 4133 1 9 . 1 1 5 5 ARG C C 5 175.991 175.991 175.864 0.127 25933 4134 1 9 . 1 1 5 5 ARG CA C 5 55.879 55.879 57.011 -1.132 25933 4135 1 9 . 1 1 5 5 ARG CB C 5 31.336 31.336 27.500 3.836 25933 4136 1 9 . 1 1 5 5 ARG H H 5 8.099 8.099 8.757 -0.658 25933 4137 1 9 . 1 1 6 6 GLU N N 6 124.508 124.508 120.688 3.820 25933 4138 1 9 . 1 1 6 6 GLU HA H 6 4.245 4.245 4.076 0.169 25933 4139 1 9 . 1 1 6 6 GLU C C 6 174.941 174.941 176.637 -1.696 25933 4140 1 9 . 1 1 6 6 GLU CA C 6 56.775 56.775 57.223 -0.448 25933 4141 1 9 . 1 1 6 6 GLU CB C 6 30.421 30.421 30.735 -0.314 25933 4142 1 9 . 1 1 6 6 GLU H H 6 8.560 8.560 7.926 0.634 25933 4143 1 9 . 1 1 7 7 ASP N N 7 117.067 117.067 121.549 -4.482 25933 4144 1 9 . 1 1 7 7 ASP HA H 7 4.520 4.520 4.658 -0.138 25933 4145 1 9 . 1 1 7 7 ASP C C 7 174.744 174.744 174.937 -0.193 25933 4146 1 9 . 1 1 7 7 ASP CA C 7 53.697 53.697 53.726 -0.029 25933 4147 1 9 . 1 1 7 7 ASP CB C 7 42.222 42.222 40.891 1.331 25933 4148 1 9 . 1 1 7 7 ASP H H 7 8.237 8.237 8.656 -0.419 25933 4149 1 9 . 1 1 8 8 GLU N N 8 116.268 116.268 118.123 -1.855 25933 4150 1 9 . 1 1 8 8 GLU HA H 8 4.083 4.083 4.405 -0.322 25933 4151 1 9 . 1 1 8 8 GLU C C 8 173.257 173.257 173.849 -0.592 25933 4152 1 9 . 1 1 8 8 GLU CA C 8 54.382 54.382 54.684 -0.301 25933 4153 1 9 . 1 1 8 8 GLU CB C 8 32.438 32.438 32.505 -0.067 25933 4154 1 9 . 1 1 8 8 GLU H H 8 7.005 7.005 7.382 -0.377 25933 4155 1 9 . 1 1 9 9 CYS N N 9 124.211 124.211 124.583 -0.372 25933 4156 1 9 . 1 1 9 9 CYS HA H 9 4.157 4.157 4.699 -0.542 25933 4157 1 9 . 1 1 9 9 CYS C C 9 178.384 178.384 175.890 2.494 25933 4158 1 9 . 1 1 9 9 CYS CA C 9 57.640 57.640 57.919 -0.279 25933 4159 1 9 . 1 1 9 9 CYS CB C 9 31.396 31.396 26.096 5.300 25933 4160 1 9 . 1 1 9 9 CYS H H 9 8.220 8.220 8.639 -0.419 25933 4161 1 9 . 1 1 10 10 PHE N N 10 131.759 131.759 128.723 3.036 25933 4162 1 9 . 1 1 10 10 PHE HA H 10 4.695 4.695 4.120 0.575 25933 4163 1 9 . 1 1 10 10 PHE C C 10 176.194 176.194 176.035 0.159 25933 4164 1 9 . 1 1 10 10 PHE CA C 10 55.935 55.935 60.815 -4.880 25933 4165 1 9 . 1 1 10 10 PHE CB C 10 38.279 38.279 39.467 -1.188 25933 4166 1 9 . 1 1 10 10 PHE H H 10 8.765 8.765 8.307 0.458 25933 4167 1 9 . 1 1 11 11 SER N N 11 114.027 114.027 114.431 -0.404 25933 4168 1 9 . 1 1 11 11 SER HA H 11 4.331 4.331 4.229 0.102 25933 4169 1 9 . 1 1 11 11 SER C C 11 175.836 175.836 175.004 0.832 25933 4170 1 9 . 1 1 11 11 SER CA C 11 61.956 61.956 60.537 1.419 25933 4171 1 9 . 1 1 11 11 SER CB C 11 63.774 63.774 63.019 0.755 25933 4172 1 9 . 1 1 11 11 SER H H 11 8.686 8.686 8.243 0.443 25933 4173 1 9 . 1 1 12 12 CYS N N 12 118.224 118.224 117.441 0.783 25933 4174 1 9 . 1 1 12 12 CYS HA H 12 5.121 5.121 4.779 0.342 25933 4175 1 9 . 1 1 12 12 CYS C C 12 176.817 176.817 175.525 1.292 25933 4176 1 9 . 1 1 12 12 CYS CA C 12 58.693 58.693 59.064 -0.371 25933 4177 1 9 . 1 1 12 12 CYS CB C 12 32.837 32.837 30.771 2.066 25933 4178 1 9 . 1 1 12 12 CYS H H 12 8.195 8.195 7.425 0.770 25933 4179 1 9 . 1 1 13 13 GLY N N 13 114.509 114.509 109.207 5.302 25933 4180 1 9 . 1 1 13 13 GLY C C 13 173.093 173.093 173.357 -0.264 25933 4181 1 9 . 1 1 13 13 GLY CA C 13 46.346 46.346 45.440 0.906 25933 4182 1 9 . 1 1 13 13 GLY H H 13 8.385 8.385 8.608 -0.223 25933 4183 1 9 . 1 1 14 14 ASP N N 14 122.123 122.123 119.566 2.557 25933 4184 1 9 . 1 1 14 14 ASP HA H 14 5.294 5.294 4.905 0.389 25933 4185 1 9 . 1 1 14 14 ASP C C 14 176.111 176.111 174.608 1.503 25933 4186 1 9 . 1 1 14 14 ASP CA C 14 53.304 53.304 53.661 -0.357 25933 4187 1 9 . 1 1 14 14 ASP CB C 14 43.175 43.175 44.892 -1.717 25933 4188 1 9 . 1 1 14 14 ASP H H 14 8.512 8.512 7.633 0.879 25933 4189 1 9 . 1 1 15 15 ALA N N 15 123.765 123.765 122.448 1.317 25933 4190 1 9 . 1 1 15 15 ALA HA H 15 4.679 4.679 4.649 0.030 25933 4191 1 9 . 1 1 15 15 ALA C C 15 177.375 177.375 176.554 0.821 25933 4192 1 9 . 1 1 15 15 ALA CA C 15 51.216 51.216 52.024 -0.808 25933 4193 1 9 . 1 1 15 15 ALA CB C 15 19.842 19.842 20.970 -1.128 25933 4194 1 9 . 1 1 15 15 ALA H H 15 8.538 8.538 8.490 0.048 25933 4195 1 9 . 1 1 16 16 GLY N N 16 108.898 108.898 109.600 -0.702 25933 4196 1 9 . 1 1 16 16 GLY C C 16 172.132 172.132 173.161 -1.029 25933 4197 1 9 . 1 1 16 16 GLY CA C 16 45.320 45.320 45.844 -0.524 25933 4198 1 9 . 1 1 16 16 GLY H H 16 8.304 8.304 7.977 0.327 25933 4199 1 9 . 1 1 17 17 GLN N N 17 125.473 125.473 122.679 2.794 25933 4200 1 9 . 1 1 17 17 GLN HA H 17 4.359 4.359 4.353 0.006 25933 4201 1 9 . 1 1 17 17 GLN C C 17 175.263 175.263 175.063 0.200 25933 4202 1 9 . 1 1 17 17 GLN CA C 17 55.779 55.779 55.863 -0.084 25933 4203 1 9 . 1 1 17 17 GLN CB C 17 27.927 27.927 28.186 -0.259 25933 4204 1 9 . 1 1 17 17 GLN H H 17 8.887 8.887 8.520 0.367 25933 4205 1 9 . 1 1 18 18 LEU N N 18 127.246 127.246 127.122 0.124 25933 4206 1 9 . 1 1 18 18 LEU HA H 18 4.714 4.714 5.213 -0.499 25933 4207 1 9 . 1 1 18 18 LEU C C 18 177.078 177.078 176.344 0.734 25933 4208 1 9 . 1 1 18 18 LEU CA C 18 53.755 53.755 53.399 0.356 25933 4209 1 9 . 1 1 18 18 LEU CB C 18 44.191 44.191 43.457 0.734 25933 4210 1 9 . 1 1 18 18 LEU H H 18 8.322 8.322 8.123 0.199 25933 4211 1 9 . 1 1 19 19 VAL N N 19 121.280 121.280 123.993 -2.713 25933 4212 1 9 . 1 1 19 19 VAL HA H 19 4.547 4.547 4.412 0.135 25933 4213 1 9 . 1 1 19 19 VAL C C 19 175.238 175.238 174.376 0.862 25933 4214 1 9 . 1 1 19 19 VAL CA C 19 59.975 59.975 59.903 0.072 25933 4215 1 9 . 1 1 19 19 VAL CB C 19 33.809 33.809 34.335 -0.526 25933 4216 1 9 . 1 1 19 19 VAL H H 19 9.789 9.789 9.134 0.655 25933 4217 1 9 . 1 1 20 20 SER N N 20 118.562 118.562 123.261 -4.699 25933 4218 1 9 . 1 1 20 20 SER HA H 20 5.062 5.062 4.619 0.443 25933 4219 1 9 . 1 1 20 20 SER C C 20 174.439 174.439 173.915 0.524 25933 4220 1 9 . 1 1 20 20 SER CA C 20 57.132 57.132 57.623 -0.491 25933 4221 1 9 . 1 1 20 20 SER CB C 20 64.811 64.811 64.445 0.366 25933 4222 1 9 . 1 1 20 20 SER H H 20 8.638 8.638 8.541 0.097 25933 4223 1 9 . 1 1 21 21 CYS N N 21 125.432 125.432 125.467 -0.035 25933 4224 1 9 . 1 1 21 21 CYS HA H 21 4.311 4.311 4.611 -0.300 25933 4225 1 9 . 1 1 21 21 CYS CA C 21 61.656 61.656 59.694 1.962 25933 4226 1 9 . 1 1 21 21 CYS CB C 21 31.029 31.029 26.678 4.351 25933 4227 1 9 . 1 1 21 21 CYS H H 21 8.132 8.132 8.525 -0.393 25933 4228 1 9 . 1 1 22 22 LYS N N 22 125.587 125.587 127.632 -2.045 25933 4229 1 9 . 1 1 22 22 LYS HA H 22 4.648 4.648 4.393 0.255 25933 4230 1 9 . 1 1 22 22 LYS C C 22 177.460 177.460 175.936 1.524 25933 4231 1 9 . 1 1 22 22 LYS H H 22 8.294 8.294 8.858 -0.564 25933 4232 1 9 . 1 1 23 23 LYS N N 23 130.703 130.703 120.853 9.850 25933 4233 1 9 . 1 1 23 23 LYS HA H 23 4.385 4.385 4.722 -0.337 25933 4234 1 9 . 1 1 23 23 LYS CA C 23 55.222 55.222 52.750 2.472 25933 4235 1 9 . 1 1 23 23 LYS CB C 23 33.949 33.949 34.387 -0.438 25933 4236 1 9 . 1 1 23 23 LYS H H 23 9.496 9.496 7.767 1.729 25933 4237 1 9 . 1 1 24 24 PRO HA H 24 4.198 4.198 4.262 -0.064 25933 4238 1 9 . 1 1 24 24 PRO C C 24 177.835 177.835 177.691 0.144 25933 4239 1 9 . 1 1 24 24 PRO CA C 24 64.454 64.454 64.184 0.270 25933 4240 1 9 . 1 1 24 24 PRO CB C 24 31.420 31.420 31.416 0.004 25933 4241 1 9 . 1 1 25 25 GLY N N 25 114.246 114.246 111.855 2.391 25933 4242 1 9 . 1 1 25 25 GLY C C 25 173.630 173.630 174.734 -1.104 25933 4243 1 9 . 1 1 25 25 GLY CA C 25 45.200 45.200 44.681 0.519 25933 4244 1 9 . 1 1 25 25 GLY H H 25 8.823 8.823 8.861 -0.038 25933 4245 1 9 . 1 1 26 26 CYS N N 26 126.002 126.002 122.166 3.836 25933 4246 1 9 . 1 1 26 26 CYS HA H 26 5.014 5.014 4.850 0.164 25933 4247 1 9 . 1 1 26 26 CYS CA C 26 56.747 56.747 56.267 0.480 25933 4248 1 9 . 1 1 26 26 CYS CB C 26 32.711 32.711 27.470 5.241 25933 4249 1 9 . 1 1 26 26 CYS H H 26 8.076 8.076 7.813 0.263 25933 4250 1 9 . 1 1 27 27 PRO HA H 27 4.802 4.802 4.579 0.223 25933 4251 1 9 . 1 1 27 27 PRO C C 27 175.970 175.970 175.707 0.263 25933 4252 1 9 . 1 1 27 27 PRO CA C 27 63.334 63.334 62.867 0.467 25933 4253 1 9 . 1 1 27 27 PRO CB C 27 32.920 32.920 32.004 0.916 25933 4254 1 9 . 1 1 28 28 LYS N N 28 121.413 121.413 118.964 2.449 25933 4255 1 9 . 1 1 28 28 LYS HA H 28 3.889 3.889 4.320 -0.431 25933 4256 1 9 . 1 1 28 28 LYS C C 28 175.961 175.961 174.639 1.322 25933 4257 1 9 . 1 1 28 28 LYS CA C 28 55.327 55.327 55.172 0.155 25933 4258 1 9 . 1 1 28 28 LYS CB C 28 32.132 32.132 34.556 -2.424 25933 4259 1 9 . 1 1 28 28 LYS H H 28 8.353 8.353 7.354 0.999 25933 4260 1 9 . 1 1 29 29 VAL N N 29 115.183 115.183 119.127 -3.944 25933 4261 1 9 . 1 1 29 29 VAL HA H 29 5.286 5.286 4.286 1.000 25933 4262 1 9 . 1 1 29 29 VAL C C 29 174.480 174.480 173.145 1.335 25933 4263 1 9 . 1 1 29 29 VAL CA C 29 58.616 58.616 59.538 -0.922 25933 4264 1 9 . 1 1 29 29 VAL CB C 29 35.526 35.526 35.435 0.091 25933 4265 1 9 . 1 1 29 29 VAL H H 29 8.346 8.346 8.256 0.090 25933 4266 1 9 . 1 1 30 30 TYR N N 30 114.639 114.639 119.560 -4.921 25933 4267 1 9 . 1 1 30 30 TYR HA H 30 5.821 5.821 4.673 1.148 25933 4268 1 9 . 1 1 30 30 TYR C C 30 177.221 177.221 174.511 2.710 25933 4269 1 9 . 1 1 30 30 TYR CA C 30 56.989 56.989 56.330 0.659 25933 4270 1 9 . 1 1 30 30 TYR CB C 30 45.110 45.110 42.218 2.892 25933 4271 1 9 . 1 1 30 30 TYR H H 30 8.792 8.792 8.490 0.302 25933 4272 1 9 . 1 1 31 31 HIS N N 31 121.470 121.470 119.039 2.431 25933 4273 1 9 . 1 1 31 31 HIS HA H 31 4.890 4.890 5.312 -0.422 25933 4274 1 9 . 1 1 31 31 HIS C C 31 177.595 177.595 176.387 1.208 25933 4275 1 9 . 1 1 31 31 HIS CA C 31 58.141 58.141 55.277 2.864 25933 4276 1 9 . 1 1 31 31 HIS CB C 31 30.737 30.737 30.909 -0.172 25933 4277 1 9 . 1 1 31 31 HIS H H 31 9.164 9.164 8.271 0.893 25933 4278 1 9 . 1 1 32 32 ALA N N 32 129.786 129.786 126.279 3.507 25933 4279 1 9 . 1 1 32 32 ALA HA H 32 3.829 3.829 3.991 -0.162 25933 4280 1 9 . 1 1 32 32 ALA C C 32 180.494 180.494 178.410 2.084 25933 4281 1 9 . 1 1 32 32 ALA CA C 32 56.044 56.044 55.360 0.684 25933 4282 1 9 . 1 1 32 32 ALA CB C 32 17.179 17.179 18.738 -1.558 25933 4283 1 9 . 1 1 32 32 ALA H H 32 9.768 9.768 8.486 1.282 25933 4284 1 9 . 1 1 33 33 ASP N N 33 114.332 114.332 118.514 -4.182 25933 4285 1 9 . 1 1 33 33 ASP HA H 33 4.521 4.521 4.391 0.130 25933 4286 1 9 . 1 1 33 33 ASP C C 33 179.006 179.006 178.553 0.453 25933 4287 1 9 . 1 1 33 33 ASP CA C 33 56.541 56.541 57.851 -1.310 25933 4288 1 9 . 1 1 33 33 ASP CB C 33 40.316 40.316 40.630 -0.314 25933 4289 1 9 . 1 1 33 33 ASP H H 33 8.832 8.832 8.741 0.091 25933 4290 1 9 . 1 1 34 34 CYS N N 34 119.035 119.035 114.517 4.518 25933 4291 1 9 . 1 1 34 34 CYS HA H 34 4.224 4.224 4.536 -0.312 25933 4292 1 9 . 1 1 34 34 CYS C C 34 175.978 175.978 176.365 -0.387 25933 4293 1 9 . 1 1 34 34 CYS CA C 34 63.491 63.491 59.905 3.586 25933 4294 1 9 . 1 1 34 34 CYS CB C 34 28.925 28.925 26.609 2.316 25933 4295 1 9 . 1 1 34 34 CYS H H 34 7.364 7.364 8.381 -1.017 25933 4296 1 9 . 1 1 35 35 LEU N N 35 118.363 118.363 119.768 -1.405 25933 4297 1 9 . 1 1 35 35 LEU HA H 35 4.404 4.404 4.357 0.047 25933 4298 1 9 . 1 1 35 35 LEU C C 35 176.327 176.327 176.370 -0.043 25933 4299 1 9 . 1 1 35 35 LEU CA C 35 53.966 53.966 54.566 -0.600 25933 4300 1 9 . 1 1 35 35 LEU CB C 35 42.982 42.982 41.881 1.101 25933 4301 1 9 . 1 1 35 35 LEU H H 35 7.135 7.135 7.629 -0.494 25933 4302 1 9 . 1 1 36 36 ASN N N 36 116.501 116.501 116.679 -0.178 25933 4303 1 9 . 1 1 36 36 ASN HA H 36 4.461 4.461 4.375 0.086 25933 4304 1 9 . 1 1 36 36 ASN C C 36 175.075 175.075 175.117 -0.042 25933 4305 1 9 . 1 1 36 36 ASN CA C 36 54.055 54.055 53.681 0.374 25933 4306 1 9 . 1 1 36 36 ASN CB C 36 37.552 37.552 37.755 -0.203 25933 4307 1 9 . 1 1 36 36 ASN H H 36 7.974 7.974 7.634 0.340 25933 4308 1 9 . 1 1 37 37 LEU N N 37 119.139 119.139 120.522 -1.383 25933 4309 1 9 . 1 1 37 37 LEU HA H 37 4.472 4.472 4.456 0.016 25933 4310 1 9 . 1 1 37 37 LEU C C 37 178.114 178.114 177.056 1.058 25933 4311 1 9 . 1 1 37 37 LEU CA C 37 54.421 54.421 54.628 -0.207 25933 4312 1 9 . 1 1 37 37 LEU CB C 37 42.937 42.937 39.748 3.188 25933 4313 1 9 . 1 1 37 37 LEU H H 37 7.953 7.953 8.339 -0.386 25933 4314 1 9 . 1 1 38 38 THR N N 38 113.698 113.698 116.266 -2.568 25933 4315 1 9 . 1 1 38 38 THR HA H 38 4.224 4.224 4.144 0.080 25933 4316 1 9 . 1 1 38 38 THR C C 38 174.325 174.325 175.002 -0.677 25933 4317 1 9 . 1 1 38 38 THR CA C 38 62.608 62.608 64.086 -1.478 25933 4318 1 9 . 1 1 38 38 THR CB C 38 69.163 69.163 69.153 0.010 25933 4319 1 9 . 1 1 38 38 THR H H 38 8.465 8.465 7.772 0.693 25933 4320 1 9 . 1 1 39 39 LYS N N 39 120.070 120.070 121.616 -1.546 25933 4321 1 9 . 1 1 39 39 LYS HA H 39 4.383 4.383 4.394 -0.011 25933 4322 1 9 . 1 1 39 39 LYS C C 39 175.570 175.570 175.310 0.260 25933 4323 1 9 . 1 1 39 39 LYS CA C 39 54.864 54.864 54.852 0.012 25933 4324 1 9 . 1 1 39 39 LYS CB C 39 34.079 34.079 33.282 0.796 25933 4325 1 9 . 1 1 39 39 LYS H H 39 7.595 7.595 8.129 -0.534 25933 4326 1 9 . 1 1 40 40 ARG N N 40 123.383 123.383 126.008 -2.625 25933 4327 1 9 . 1 1 40 40 ARG HA H 40 4.163 4.163 4.362 -0.199 25933 4328 1 9 . 1 1 40 40 ARG CA C 40 54.474 54.474 54.651 -0.178 25933 4329 1 9 . 1 1 40 40 ARG CB C 40 29.745 29.745 30.255 -0.510 25933 4330 1 9 . 1 1 40 40 ARG H H 40 8.372 8.372 8.376 -0.004 25933 4331 1 9 . 1 1 41 41 PRO HA H 41 4.081 4.081 4.520 -0.439 25933 4332 1 9 . 1 1 41 41 PRO C C 41 176.215 176.215 175.330 0.885 25933 4333 1 9 . 1 1 41 41 PRO CA C 41 63.151 63.151 62.854 0.297 25933 4334 1 9 . 1 1 41 41 PRO CB C 41 32.154 32.154 31.994 0.160 25933 4335 1 9 . 1 1 42 42 ALA N N 42 126.233 126.233 124.922 1.311 25933 4336 1 9 . 1 1 42 42 ALA HA H 42 4.447 4.447 4.509 -0.062 25933 4337 1 9 . 1 1 42 42 ALA C C 42 177.947 177.947 177.437 0.510 25933 4338 1 9 . 1 1 42 42 ALA CA C 42 51.741 51.741 51.682 0.059 25933 4339 1 9 . 1 1 42 42 ALA CB C 42 20.295 20.295 21.285 -0.990 25933 4340 1 9 . 1 1 42 42 ALA H H 42 8.368 8.368 7.964 0.404 25933 4341 1 9 . 1 1 43 43 GLY N N 43 108.071 108.071 110.635 -2.564 25933 4342 1 9 . 1 1 43 43 GLY C C 43 174.630 174.630 174.258 0.372 25933 4343 1 9 . 1 1 43 43 GLY CA C 43 45.871 45.871 45.185 0.686 25933 4344 1 9 . 1 1 43 43 GLY H H 43 8.499 8.499 8.422 0.077 25933 4345 1 9 . 1 1 44 44 LYS N N 44 123.859 123.859 124.307 -0.448 25933 4346 1 9 . 1 1 44 44 LYS HA H 44 4.325 4.325 4.610 -0.285 25933 4347 1 9 . 1 1 44 44 LYS CA C 44 56.012 56.012 55.629 0.383 25933 4348 1 9 . 1 1 44 44 LYS CB C 44 31.307 31.307 33.287 -1.980 25933 4349 1 9 . 1 1 44 44 LYS H H 44 8.485 8.485 8.381 0.104 25933 4350 1 9 . 1 1 45 45 TRP N N 45 124.364 124.364 127.109 -2.745 25933 4351 1 9 . 1 1 45 45 TRP HA H 45 4.317 4.317 4.822 -0.505 25933 4352 1 9 . 1 1 45 45 TRP CA C 45 58.972 58.972 56.802 2.170 25933 4353 1 9 . 1 1 45 45 TRP CB C 45 29.468 29.468 31.463 -1.995 25933 4354 1 9 . 1 1 45 45 TRP H H 45 7.419 7.419 8.841 -1.422 25933 4355 1 9 . 1 1 46 46 GLU N N 46 124.890 124.890 127.152 -2.262 25933 4356 1 9 . 1 1 46 46 GLU HA H 46 4.623 4.623 4.436 0.187 25933 4357 1 9 . 1 1 46 46 GLU CA C 46 53.864 53.864 54.271 -0.407 25933 4358 1 9 . 1 1 46 46 GLU H H 46 7.623 7.623 8.041 -0.418 25933 4359 1 9 . 1 1 47 47 CYS N N 47 130.384 130.384 122.540 7.844 25933 4360 1 9 . 1 1 47 47 CYS HA H 47 4.623 4.623 3.796 0.827 25933 4361 1 9 . 1 1 47 47 CYS H H 47 9.574 9.574 8.005 1.569 25933 4362 1 9 . 1 1 48 48 PRO HA H 48 4.704 4.704 4.274 0.430 25933 4363 1 9 . 1 1 48 48 PRO C C 48 177.973 177.973 177.687 0.286 25933 4364 1 9 . 1 1 48 48 PRO CA C 48 64.380 64.380 64.423 -0.043 25933 4365 1 9 . 1 1 48 48 PRO CB C 48 31.545 31.545 31.541 0.003 25933 4366 1 9 . 1 1 49 49 TRP N N 49 124.314 124.314 120.171 4.143 25933 4367 1 9 . 1 1 49 49 TRP HA H 49 5.248 5.248 4.752 0.496 25933 4368 1 9 . 1 1 49 49 TRP C C 49 179.054 179.054 175.288 3.766 25933 4369 1 9 . 1 1 49 49 TRP CA C 49 56.304 56.304 57.529 -1.225 25933 4370 1 9 . 1 1 49 49 TRP CB C 49 31.375 31.375 28.399 2.975 25933 4371 1 9 . 1 1 49 49 TRP H H 49 8.504 8.504 7.931 0.573 25933 4372 1 9 . 1 1 50 50 HIS N N 50 110.531 110.531 112.593 -2.062 25933 4373 1 9 . 1 1 50 50 HIS HA H 50 4.479 4.479 4.744 -0.265 25933 4374 1 9 . 1 1 50 50 HIS C C 50 175.070 175.070 174.650 0.420 25933 4375 1 9 . 1 1 50 50 HIS CA C 50 56.068 56.068 55.531 0.537 25933 4376 1 9 . 1 1 50 50 HIS CB C 50 28.267 28.267 30.583 -2.316 25933 4377 1 9 . 1 1 50 50 HIS H H 50 7.178 7.178 7.532 -0.354 25933 4378 1 9 . 1 1 51 51 GLN N N 51 118.176 118.176 118.120 0.056 25933 4379 1 9 . 1 1 51 51 GLN HA H 51 4.638 4.638 5.092 -0.454 25933 4380 1 9 . 1 1 51 51 GLN C C 51 172.785 172.785 175.260 -2.475 25933 4381 1 9 . 1 1 51 51 GLN CA C 51 54.266 54.266 53.538 0.728 25933 4382 1 9 . 1 1 51 51 GLN CB C 51 30.779 30.779 31.146 -0.367 25933 4383 1 9 . 1 1 51 51 GLN H H 51 7.243 7.243 7.597 -0.354 25933 4384 1 9 . 1 1 52 52 CYS N N 52 123.532 123.532 126.338 -2.806 25933 4385 1 9 . 1 1 52 52 CYS HA H 52 4.049 4.049 4.410 -0.361 25933 4386 1 9 . 1 1 52 52 CYS C C 52 177.807 177.807 176.372 1.435 25933 4387 1 9 . 1 1 52 52 CYS CA C 52 58.257 58.257 59.602 -1.345 25933 4388 1 9 . 1 1 52 52 CYS CB C 52 31.165 31.165 27.383 3.782 25933 4389 1 9 . 1 1 52 52 CYS H H 52 9.344 9.344 9.110 0.234 25933 4390 1 9 . 1 1 53 53 ASP N N 53 134.328 134.328 128.675 5.653 25933 4391 1 9 . 1 1 53 53 ASP HA H 53 4.190 4.190 4.401 -0.211 25933 4392 1 9 . 1 1 53 53 ASP C C 53 176.732 176.732 176.538 0.194 25933 4393 1 9 . 1 1 53 53 ASP CA C 53 57.384 57.384 56.879 0.505 25933 4394 1 9 . 1 1 53 53 ASP CB C 53 41.122 41.122 40.989 0.133 25933 4395 1 9 . 1 1 53 53 ASP H H 53 9.185 9.185 8.833 0.352 25933 4396 1 9 . 1 1 54 54 VAL N N 54 119.653 119.653 119.006 0.647 25933 4397 1 9 . 1 1 54 54 VAL HA H 54 3.877 3.877 3.888 -0.011 25933 4398 1 9 . 1 1 54 54 VAL C C 54 177.243 177.243 177.045 0.198 25933 4399 1 9 . 1 1 54 54 VAL CA C 54 65.092 65.092 65.394 -0.302 25933 4400 1 9 . 1 1 54 54 VAL CB C 54 33.012 33.012 32.337 0.675 25933 4401 1 9 . 1 1 54 54 VAL H H 54 8.796 8.796 7.759 1.037 25933 4402 1 9 . 1 1 55 55 CYS N N 55 115.992 115.992 114.362 1.630 25933 4403 1 9 . 1 1 55 55 CYS HA H 55 5.112 5.112 5.051 0.061 25933 4404 1 9 . 1 1 55 55 CYS C C 55 176.818 176.818 175.809 1.009 25933 4405 1 9 . 1 1 55 55 CYS CA C 55 58.337 58.337 57.118 1.219 25933 4406 1 9 . 1 1 55 55 CYS CB C 55 34.324 34.324 30.008 4.316 25933 4407 1 9 . 1 1 55 55 CYS H H 55 7.604 7.604 7.870 -0.266 25933 4408 1 9 . 1 1 56 56 GLY N N 56 114.227 114.227 110.632 3.595 25933 4409 1 9 . 1 1 56 56 GLY C C 56 173.824 173.824 174.214 -0.390 25933 4410 1 9 . 1 1 56 56 GLY CA C 56 46.409 46.409 46.155 0.254 25933 4411 1 9 . 1 1 56 56 GLY H H 56 8.548 8.548 8.710 -0.162 25933 4412 1 9 . 1 1 57 57 LYS N N 57 122.126 122.126 119.115 3.011 25933 4413 1 9 . 1 1 57 57 LYS HA H 57 4.412 4.412 4.489 -0.077 25933 4414 1 9 . 1 1 57 57 LYS C C 57 175.055 175.055 175.389 -0.334 25933 4415 1 9 . 1 1 57 57 LYS CA C 57 56.717 56.717 54.789 1.928 25933 4416 1 9 . 1 1 57 57 LYS CB C 57 33.143 33.143 34.438 -1.295 25933 4417 1 9 . 1 1 57 57 LYS H H 57 8.314 8.314 7.415 0.899 25933 4418 1 9 . 1 1 58 58 GLU N N 58 120.782 120.782 120.137 0.645 25933 4419 1 9 . 1 1 58 58 GLU HA H 58 4.153 4.153 4.163 -0.010 25933 4420 1 9 . 1 1 58 58 GLU C C 58 176.662 176.662 175.966 0.696 25933 4421 1 9 . 1 1 58 58 GLU CA C 58 57.913 57.913 57.464 0.449 25933 4422 1 9 . 1 1 58 58 GLU CB C 58 29.825 29.825 29.786 0.039 25933 4423 1 9 . 1 1 58 58 GLU H H 58 8.502 8.502 8.577 -0.075 25933 4424 1 9 . 1 1 59 59 ALA N N 59 127.052 127.052 128.431 -1.379 25933 4425 1 9 . 1 1 59 59 ALA HA H 59 3.402 3.402 4.427 -1.025 25933 4426 1 9 . 1 1 59 59 ALA C C 59 175.529 175.529 175.852 -0.323 25933 4427 1 9 . 1 1 59 59 ALA CA C 59 52.238 52.238 51.120 1.118 25933 4428 1 9 . 1 1 59 59 ALA CB C 59 19.006 19.006 20.335 -1.329 25933 4429 1 9 . 1 1 59 59 ALA H H 59 7.812 7.812 8.326 -0.514 25933 4430 1 9 . 1 1 60 60 ALA N N 60 122.703 122.703 125.071 -2.368 25933 4431 1 9 . 1 1 60 60 ALA HA H 60 4.473 4.473 4.284 0.189 25933 4432 1 9 . 1 1 60 60 ALA C C 60 176.087 176.087 176.741 -0.654 25933 4433 1 9 . 1 1 60 60 ALA CA C 60 51.930 51.930 52.056 -0.126 25933 4434 1 9 . 1 1 60 60 ALA CB C 60 23.146 23.146 20.623 2.523 25933 4435 1 9 . 1 1 60 60 ALA H H 60 8.356 8.356 8.257 0.099 25933 4436 1 9 . 1 1 61 61 SER N N 61 114.279 114.279 114.723 -0.444 25933 4437 1 9 . 1 1 61 61 SER HA H 61 4.637 4.637 4.325 0.312 25933 4438 1 9 . 1 1 61 61 SER C C 61 171.865 171.865 172.615 -0.750 25933 4439 1 9 . 1 1 61 61 SER CA C 61 58.060 58.060 56.671 1.389 25933 4440 1 9 . 1 1 61 61 SER CB C 61 66.719 66.719 64.659 2.060 25933 4441 1 9 . 1 1 61 61 SER H H 61 7.427 7.427 7.836 -0.409 25933 4442 1 9 . 1 1 62 62 PHE N N 62 123.075 123.075 120.419 2.656 25933 4443 1 9 . 1 1 62 62 PHE HA H 62 4.342 4.342 4.540 -0.198 25933 4444 1 9 . 1 1 62 62 PHE C C 62 174.547 174.547 175.503 -0.956 25933 4445 1 9 . 1 1 62 62 PHE CA C 62 57.701 57.701 56.221 1.480 25933 4446 1 9 . 1 1 62 62 PHE CB C 62 41.207 41.207 41.340 -0.133 25933 4447 1 9 . 1 1 62 62 PHE H H 62 8.193 8.193 8.023 0.170 25933 4448 1 9 . 1 1 63 63 CYS N N 63 126.326 126.326 125.464 0.862 25933 4449 1 9 . 1 1 63 63 CYS HA H 63 4.297 4.297 4.466 -0.169 25933 4450 1 9 . 1 1 63 63 CYS C C 63 176.289 176.289 176.335 -0.046 25933 4451 1 9 . 1 1 63 63 CYS CA C 63 61.098 61.098 59.211 1.887 25933 4452 1 9 . 1 1 63 63 CYS CB C 63 29.621 29.621 28.118 1.503 25933 4453 1 9 . 1 1 63 63 CYS H H 63 9.106 9.106 8.871 0.235 25933 4454 1 9 . 1 1 64 64 GLU N N 64 124.601 124.601 129.670 -5.069 25933 4455 1 9 . 1 1 64 64 GLU HA H 64 4.887 4.887 4.819 0.068 25933 4456 1 9 . 1 1 64 64 GLU C C 64 177.682 177.682 176.565 1.117 25933 4457 1 9 . 1 1 64 64 GLU CA C 64 58.619 58.619 56.999 1.620 25933 4458 1 9 . 1 1 64 64 GLU CB C 64 30.567 30.567 29.526 1.041 25933 4459 1 9 . 1 1 64 64 GLU H H 64 8.911 8.911 9.004 -0.093 25933 4460 1 9 . 1 1 65 65 MET N N 65 121.669 121.669 116.043 5.626 25933 4461 1 9 . 1 1 65 65 MET HA H 65 4.536 4.536 4.656 -0.120 25933 4462 1 9 . 1 1 65 65 MET C C 65 173.906 173.906 175.016 -1.110 25933 4463 1 9 . 1 1 65 65 MET CA C 65 56.157 56.157 55.373 0.784 25933 4464 1 9 . 1 1 65 65 MET CB C 65 33.770 33.770 36.018 -2.248 25933 4465 1 9 . 1 1 65 65 MET H H 65 9.972 9.972 7.822 2.150 25933 4466 1 9 . 1 1 66 66 CYS N N 66 127.827 127.827 114.572 13.255 25933 4467 1 9 . 1 1 66 66 CYS HA H 66 3.424 3.424 4.685 -1.261 25933 4468 1 9 . 1 1 66 66 CYS CA C 66 57.581 57.581 56.776 0.805 25933 4469 1 9 . 1 1 66 66 CYS CB C 66 29.900 29.900 27.975 1.925 25933 4470 1 9 . 1 1 66 66 CYS H H 66 8.286 8.286 7.656 0.630 25933 4471 1 9 . 1 1 67 67 PRO HA H 67 4.660 4.660 4.415 0.245 25933 4472 1 9 . 1 1 67 67 PRO C C 67 176.387 176.387 176.171 0.216 25933 4473 1 9 . 1 1 67 67 PRO CA C 67 64.462 64.462 63.423 1.039 25933 4474 1 9 . 1 1 67 67 PRO CB C 67 31.018 31.018 31.411 -0.393 25933 4475 1 9 . 1 1 68 68 SER N N 68 122.983 122.983 117.404 5.579 25933 4476 1 9 . 1 1 68 68 SER HA H 68 5.148 5.148 4.496 0.652 25933 4477 1 9 . 1 1 68 68 SER C C 68 173.421 173.421 173.419 0.002 25933 4478 1 9 . 1 1 68 68 SER CA C 68 59.799 59.799 57.931 1.869 25933 4479 1 9 . 1 1 68 68 SER CB C 68 64.047 64.047 63.164 0.883 25933 4480 1 9 . 1 1 68 68 SER H H 68 8.864 8.864 7.704 1.160 25933 4481 1 9 . 1 1 69 69 SER N N 69 115.147 115.147 120.932 -5.785 25933 4482 1 9 . 1 1 69 69 SER HA H 69 4.443 4.443 4.631 -0.188 25933 4483 1 9 . 1 1 69 69 SER C C 69 171.436 171.436 172.473 -1.037 25933 4484 1 9 . 1 1 69 69 SER CA C 69 56.585 56.585 56.719 -0.134 25933 4485 1 9 . 1 1 69 69 SER CB C 69 63.959 63.959 65.326 -1.367 25933 4486 1 9 . 1 1 69 69 SER H H 69 7.874 7.874 7.941 -0.067 25933 4487 1 9 . 1 1 70 70 PHE N N 70 112.477 112.477 116.721 -4.244 25933 4488 1 9 . 1 1 70 70 PHE HA H 70 6.052 6.052 4.993 1.059 25933 4489 1 9 . 1 1 70 70 PHE C C 70 176.905 176.905 175.225 1.680 25933 4490 1 9 . 1 1 70 70 PHE CA C 70 57.026 57.026 56.736 0.290 25933 4491 1 9 . 1 1 70 70 PHE CB C 70 45.774 45.774 43.477 2.297 25933 4492 1 9 . 1 1 70 70 PHE H H 70 8.192 8.192 8.791 -0.599 25933 4493 1 9 . 1 1 71 71 CYS N N 71 121.843 121.843 119.456 2.387 25933 4494 1 9 . 1 1 71 71 CYS HA H 71 4.806 4.806 4.866 -0.060 25933 4495 1 9 . 1 1 71 71 CYS C C 71 174.332 174.332 175.842 -1.510 25933 4496 1 9 . 1 1 71 71 CYS CA C 71 58.618 58.618 56.745 1.873 25933 4497 1 9 . 1 1 71 71 CYS CB C 71 30.249 30.249 30.416 -0.167 25933 4498 1 9 . 1 1 71 71 CYS H H 71 9.511 9.511 8.605 0.906 25933 4499 1 9 . 1 1 72 72 LYS N N 72 118.091 118.091 119.760 -1.669 25933 4500 1 9 . 1 1 72 72 LYS HA H 72 3.679 3.679 3.829 -0.150 25933 4501 1 9 . 1 1 72 72 LYS C C 72 177.831 177.831 179.326 -1.495 25933 4502 1 9 . 1 1 72 72 LYS CA C 72 60.445 60.445 59.961 0.484 25933 4503 1 9 . 1 1 72 72 LYS CB C 72 32.277 32.277 32.116 0.161 25933 4504 1 9 . 1 1 72 72 LYS H H 72 8.804 8.804 8.665 0.139 25933 4505 1 9 . 1 1 73 73 GLN N N 73 118.381 118.381 116.414 1.967 25933 4506 1 9 . 1 1 73 73 GLN HA H 73 4.078 4.078 4.064 0.014 25933 4507 1 9 . 1 1 73 73 GLN C C 73 177.491 177.491 177.384 0.107 25933 4508 1 9 . 1 1 73 73 GLN CA C 73 57.894 57.894 58.025 -0.131 25933 4509 1 9 . 1 1 73 73 GLN CB C 73 28.754 28.754 28.956 -0.202 25933 4510 1 9 . 1 1 73 73 GLN H H 73 8.139 8.139 7.816 0.323 25933 4511 1 9 . 1 1 74 74 HIS N N 74 117.140 117.140 114.927 2.213 25933 4512 1 9 . 1 1 74 74 HIS HA H 74 5.015 5.015 4.714 0.301 25933 4513 1 9 . 1 1 74 74 HIS C C 74 174.206 174.206 175.597 -1.391 25933 4514 1 9 . 1 1 74 74 HIS CA C 74 57.692 57.692 56.024 1.668 25933 4515 1 9 . 1 1 74 74 HIS CB C 74 32.739 32.739 29.878 2.861 25933 4516 1 9 . 1 1 74 74 HIS H H 74 7.628 7.628 7.395 0.233 25933 4517 1 9 . 1 1 75 75 ARG N N 75 115.977 115.977 118.308 -2.331 25933 4518 1 9 . 1 1 75 75 ARG HA H 75 3.699 3.699 4.274 -0.575 25933 4519 1 9 . 1 1 75 75 ARG C C 75 176.493 176.493 175.839 0.654 25933 4520 1 9 . 1 1 75 75 ARG CA C 75 57.925 57.925 56.816 1.109 25933 4521 1 9 . 1 1 75 75 ARG CB C 75 30.179 30.179 30.699 -0.520 25933 4522 1 9 . 1 1 75 75 ARG H H 75 7.415 7.415 7.751 -0.336 25933 4523 1 9 . 1 1 76 76 GLU N N 76 123.649 123.649 122.060 1.589 25933 4524 1 9 . 1 1 76 76 GLU HA H 76 3.955 3.955 4.199 -0.244 25933 4525 1 9 . 1 1 76 76 GLU C C 76 177.401 177.401 177.195 0.206 25933 4526 1 9 . 1 1 76 76 GLU CA C 76 58.208 58.208 57.311 0.897 25933 4527 1 9 . 1 1 76 76 GLU CB C 76 28.668 28.668 29.373 -0.706 25933 4528 1 9 . 1 1 76 76 GLU H H 76 8.094 8.094 7.823 0.271 25933 4529 1 9 . 1 1 77 77 GLY N N 77 114.787 114.787 113.740 1.047 25933 4530 1 9 . 1 1 77 77 GLY C C 77 174.193 174.193 174.550 -0.357 25933 4531 1 9 . 1 1 77 77 GLY CA C 77 45.502 45.502 46.195 -0.693 25933 4532 1 9 . 1 1 77 77 GLY H H 77 8.831 8.831 9.049 -0.218 25933 4533 1 9 . 1 1 78 78 MET N N 78 115.494 115.494 115.879 -0.385 25933 4534 1 9 . 1 1 78 78 MET HA H 78 4.608 4.608 4.508 0.100 25933 4535 1 9 . 1 1 78 78 MET C C 78 175.808 175.808 174.897 0.911 25933 4536 1 9 . 1 1 78 78 MET CA C 78 53.865 53.865 55.021 -1.156 25933 4537 1 9 . 1 1 78 78 MET CB C 78 33.146 33.146 34.734 -1.589 25933 4538 1 9 . 1 1 78 78 MET H H 78 7.320 7.320 7.735 -0.415 25933 4539 1 9 . 1 1 79 79 LEU N N 79 116.112 116.112 120.346 -4.234 25933 4540 1 9 . 1 1 79 79 LEU HA H 79 5.083 5.083 4.750 0.333 25933 4541 1 9 . 1 1 79 79 LEU C C 79 175.580 175.580 174.768 0.812 25933 4542 1 9 . 1 1 79 79 LEU CA C 79 52.710 52.710 53.952 -1.242 25933 4543 1 9 . 1 1 79 79 LEU CB C 79 46.268 46.268 45.272 0.996 25933 4544 1 9 . 1 1 79 79 LEU H H 79 6.783 6.783 7.348 -0.565 25933 4545 1 9 . 1 1 80 80 PHE N N 80 121.484 121.484 120.729 0.755 25933 4546 1 9 . 1 1 80 80 PHE HA H 80 4.773 4.773 4.958 -0.185 25933 4547 1 9 . 1 1 80 80 PHE C C 80 174.354 174.354 173.553 0.801 25933 4548 1 9 . 1 1 80 80 PHE CA C 80 56.225 56.225 55.616 0.609 25933 4549 1 9 . 1 1 80 80 PHE CB C 80 42.377 42.377 41.167 1.210 25933 4550 1 9 . 1 1 80 80 PHE H H 80 9.296 9.296 8.329 0.967 25933 4551 1 9 . 1 1 81 81 ILE N N 81 123.854 123.854 120.096 3.758 25933 4552 1 9 . 1 1 81 81 ILE HA H 81 4.088 4.088 4.410 -0.322 25933 4553 1 9 . 1 1 81 81 ILE C C 81 176.829 176.829 176.103 0.726 25933 4554 1 9 . 1 1 81 81 ILE CA C 81 60.636 60.636 60.124 0.512 25933 4555 1 9 . 1 1 81 81 ILE CB C 81 37.486 37.486 37.495 -0.009 25933 4556 1 9 . 1 1 81 81 ILE H H 81 8.798 8.798 8.473 0.325 25933 4557 1 9 . 1 1 82 82 SER N N 82 124.730 124.730 121.579 3.151 25933 4558 1 9 . 1 1 82 82 SER HA H 82 4.530 4.530 4.630 -0.100 25933 4559 1 9 . 1 1 82 82 SER C C 82 177.460 177.460 175.238 2.222 25933 4560 1 9 . 1 1 82 82 SER CA C 82 58.180 58.180 58.036 0.144 25933 4561 1 9 . 1 1 82 82 SER CB C 82 64.054 64.054 64.492 -0.438 25933 4562 1 9 . 1 1 82 82 SER H H 82 8.898 8.898 8.678 0.220 25933 4563 1 9 . 1 1 83 83 LYS N N 83 129.518 129.518 127.314 2.204 25933 4564 1 9 . 1 1 83 83 LYS HA H 83 4.198 4.198 4.199 -0.001 25933 4565 1 9 . 1 1 83 83 LYS C C 83 177.173 177.173 177.464 -0.291 25933 4566 1 9 . 1 1 83 83 LYS CA C 83 57.848 57.848 58.774 -0.926 25933 4567 1 9 . 1 1 83 83 LYS CB C 83 32.376 32.376 32.566 -0.190 25933 4568 1 9 . 1 1 83 83 LYS H H 83 9.269 9.269 8.856 0.413 25933 4569 1 9 . 1 1 84 84 LEU N N 84 120.539 120.539 119.888 0.651 25933 4570 1 9 . 1 1 84 84 LEU HA H 84 4.284 4.284 4.267 0.017 25933 4571 1 9 . 1 1 84 84 LEU C C 84 178.443 178.443 178.620 -0.177 25933 4572 1 9 . 1 1 84 84 LEU CA C 84 56.827 56.827 56.939 -0.112 25933 4573 1 9 . 1 1 84 84 LEU CB C 84 41.901 41.901 42.445 -0.544 25933 4574 1 9 . 1 1 84 84 LEU H H 84 8.364 8.364 7.827 0.537 25933 4575 1 9 . 1 1 85 85 ASP N N 85 114.333 114.333 116.752 -2.419 25933 4576 1 9 . 1 1 85 85 ASP HA H 85 4.737 4.737 4.722 0.015 25933 4577 1 9 . 1 1 85 85 ASP C C 85 177.413 177.413 177.524 -0.111 25933 4578 1 9 . 1 1 85 85 ASP CA C 85 53.056 53.056 55.614 -2.558 25933 4579 1 9 . 1 1 85 85 ASP CB C 85 42.065 42.065 42.213 -0.148 25933 4580 1 9 . 1 1 85 85 ASP H H 85 7.326 7.326 8.203 -0.877 25933 4581 1 9 . 1 1 86 86 GLY N N 86 108.607 108.607 107.385 1.222 25933 4582 1 9 . 1 1 86 86 GLY C C 86 174.036 174.036 173.817 0.219 25933 4583 1 9 . 1 1 86 86 GLY CA C 86 46.037 46.037 45.858 0.179 25933 4584 1 9 . 1 1 86 86 GLY H H 86 7.901 7.901 7.962 -0.061 25933 4585 1 9 . 1 1 87 87 ARG N N 87 120.598 120.598 119.438 1.160 25933 4586 1 9 . 1 1 87 87 ARG HA H 87 4.345 4.345 4.588 -0.243 25933 4587 1 9 . 1 1 87 87 ARG C C 87 175.968 175.968 176.408 -0.440 25933 4588 1 9 . 1 1 87 87 ARG CA C 87 56.810 56.810 53.779 3.031 25933 4589 1 9 . 1 1 87 87 ARG CB C 87 31.934 31.934 31.299 0.635 25933 4590 1 9 . 1 1 87 87 ARG H H 87 7.948 7.948 7.696 0.252 25933 4591 1 9 . 1 1 88 88 LEU N N 88 126.752 126.752 123.479 3.273 25933 4592 1 9 . 1 1 88 88 LEU HA H 88 4.576 4.576 4.580 -0.004 25933 4593 1 9 . 1 1 88 88 LEU C C 88 176.060 176.060 176.527 -0.467 25933 4594 1 9 . 1 1 88 88 LEU CA C 88 55.558 55.558 55.834 -0.276 25933 4595 1 9 . 1 1 88 88 LEU CB C 88 42.815 42.815 41.738 1.077 25933 4596 1 9 . 1 1 88 88 LEU H H 88 8.968 8.968 9.407 -0.439 25933 4597 1 9 . 1 1 89 89 SER N N 89 118.859 118.859 119.213 -0.354 25933 4598 1 9 . 1 1 89 89 SER HA H 89 6.146 6.146 5.076 1.070 25933 4599 1 9 . 1 1 89 89 SER C C 89 174.338 174.338 173.430 0.908 25933 4600 1 9 . 1 1 89 89 SER CA C 89 56.311 56.311 56.331 -0.020 25933 4601 1 9 . 1 1 89 89 SER CB C 89 67.072 67.072 65.607 1.465 25933 4602 1 9 . 1 1 89 89 SER H H 89 9.083 9.083 9.021 0.062 25933 4603 1 9 . 1 1 90 90 CYS N N 90 128.907 128.907 124.065 4.842 25933 4604 1 9 . 1 1 90 90 CYS HA H 90 5.815 5.815 5.465 0.350 25933 4605 1 9 . 1 1 90 90 CYS C C 90 176.386 176.386 177.174 -0.788 25933 4606 1 9 . 1 1 90 90 CYS CA C 90 58.908 58.908 55.825 3.083 25933 4607 1 9 . 1 1 90 90 CYS CB C 90 29.444 29.444 30.146 -0.702 25933 4608 1 9 . 1 1 90 90 CYS H H 90 10.389 10.389 8.200 2.189 25933 4609 1 9 . 1 1 91 91 THR N N 91 108.692 108.692 111.442 -2.750 25933 4610 1 9 . 1 1 91 91 THR HA H 91 4.398 4.398 4.484 -0.086 25933 4611 1 9 . 1 1 91 91 THR C C 91 175.912 175.912 175.044 0.868 25933 4612 1 9 . 1 1 91 91 THR CA C 91 63.576 63.576 63.766 -0.190 25933 4613 1 9 . 1 1 91 91 THR CB C 91 69.172 69.172 68.337 0.835 25933 4614 1 9 . 1 1 91 91 THR H H 91 8.435 8.435 8.436 -0.001 25933 4615 1 9 . 1 1 92 92 GLU N N 92 123.418 123.418 120.202 3.216 25933 4616 1 9 . 1 1 92 92 GLU HA H 92 4.280 4.280 4.438 -0.158 25933 4617 1 9 . 1 1 92 92 GLU C C 92 175.937 175.937 175.620 0.317 25933 4618 1 9 . 1 1 92 92 GLU CA C 92 56.582 56.582 56.215 0.367 25933 4619 1 9 . 1 1 92 92 GLU CB C 92 28.887 28.887 30.000 -1.113 25933 4620 1 9 . 1 1 92 92 GLU H H 92 8.626 8.626 7.580 1.046 25933 4621 1 9 . 1 1 93 93 HIS N N 93 117.178 117.178 118.688 -1.510 25933 4622 1 9 . 1 1 93 93 HIS HA H 93 4.789 4.789 4.854 -0.065 25933 4623 1 9 . 1 1 93 93 HIS C C 93 174.016 174.016 174.140 -0.124 25933 4624 1 9 . 1 1 93 93 HIS CA C 93 54.275 54.275 54.245 0.030 25933 4625 1 9 . 1 1 93 93 HIS CB C 93 29.373 29.373 29.169 0.204 25933 4626 1 9 . 1 1 93 93 HIS H H 93 7.244 7.244 7.688 -0.444 25933 4627 1 10 . 1 1 2 2 ALA N N 2 124.503 124.503 124.283 0.220 25933 4628 1 10 . 1 1 2 2 ALA HA H 2 4.337 4.337 4.409 -0.072 25933 4629 1 10 . 1 1 2 2 ALA C C 2 177.688 177.688 176.465 1.223 25933 4630 1 10 . 1 1 2 2 ALA CA C 2 52.598 52.598 52.736 -0.138 25933 4631 1 10 . 1 1 2 2 ALA CB C 2 19.375 19.375 19.570 -0.195 25933 4632 1 10 . 1 1 2 2 ALA H H 2 8.639 8.639 8.279 0.360 25933 4633 1 10 . 1 1 3 3 MET N N 3 120.183 120.183 116.027 4.156 25933 4634 1 10 . 1 1 3 3 MET HA H 3 4.402 4.402 4.629 -0.227 25933 4635 1 10 . 1 1 3 3 MET C C 3 176.072 176.072 174.645 1.427 25933 4636 1 10 . 1 1 3 3 MET CA C 3 55.636 55.636 53.494 2.142 25933 4637 1 10 . 1 1 3 3 MET CB C 3 32.936 32.936 35.227 -2.291 25933 4638 1 10 . 1 1 3 3 MET H H 3 8.483 8.483 7.487 0.996 25933 4639 1 10 . 1 1 4 4 GLU N N 4 123.573 123.573 118.185 5.388 25933 4640 1 10 . 1 1 4 4 GLU HA H 4 4.255 4.255 4.054 0.201 25933 4641 1 10 . 1 1 4 4 GLU C C 4 175.719 175.719 175.295 0.424 25933 4642 1 10 . 1 1 4 4 GLU CA C 4 56.516 56.516 57.557 -1.041 25933 4643 1 10 . 1 1 4 4 GLU CB C 4 30.209 30.209 29.317 0.892 25933 4644 1 10 . 1 1 4 4 GLU H H 4 8.417 8.417 8.501 -0.084 25933 4645 1 10 . 1 1 5 5 ARG N N 5 121.879 121.879 120.808 1.071 25933 4646 1 10 . 1 1 5 5 ARG HA H 5 4.327 4.327 4.435 -0.108 25933 4647 1 10 . 1 1 5 5 ARG C C 5 175.991 175.991 175.929 0.062 25933 4648 1 10 . 1 1 5 5 ARG CA C 5 55.879 55.879 55.452 0.427 25933 4649 1 10 . 1 1 5 5 ARG CB C 5 31.336 31.336 31.205 0.131 25933 4650 1 10 . 1 1 5 5 ARG H H 5 8.099 8.099 8.432 -0.333 25933 4651 1 10 . 1 1 6 6 GLU N N 6 124.508 124.508 124.342 0.166 25933 4652 1 10 . 1 1 6 6 GLU HA H 6 4.245 4.245 4.103 0.142 25933 4653 1 10 . 1 1 6 6 GLU C C 6 174.941 174.941 175.939 -0.998 25933 4654 1 10 . 1 1 6 6 GLU CA C 6 56.775 56.775 56.859 -0.084 25933 4655 1 10 . 1 1 6 6 GLU CB C 6 30.421 30.421 30.494 -0.073 25933 4656 1 10 . 1 1 6 6 GLU H H 6 8.560 8.560 8.499 0.061 25933 4657 1 10 . 1 1 7 7 ASP N N 7 117.067 117.067 122.661 -5.594 25933 4658 1 10 . 1 1 7 7 ASP HA H 7 4.520 4.520 4.738 -0.218 25933 4659 1 10 . 1 1 7 7 ASP C C 7 174.744 174.744 174.835 -0.091 25933 4660 1 10 . 1 1 7 7 ASP CA C 7 53.697 53.697 54.234 -0.537 25933 4661 1 10 . 1 1 7 7 ASP CB C 7 42.222 42.222 40.371 1.851 25933 4662 1 10 . 1 1 7 7 ASP H H 7 8.237 8.237 8.597 -0.360 25933 4663 1 10 . 1 1 8 8 GLU N N 8 116.268 116.268 119.374 -3.106 25933 4664 1 10 . 1 1 8 8 GLU HA H 8 4.083 4.083 4.371 -0.288 25933 4665 1 10 . 1 1 8 8 GLU C C 8 173.257 173.257 174.055 -0.798 25933 4666 1 10 . 1 1 8 8 GLU CA C 8 54.382 54.382 55.382 -1.000 25933 4667 1 10 . 1 1 8 8 GLU CB C 8 32.438 32.438 32.656 -0.218 25933 4668 1 10 . 1 1 8 8 GLU H H 8 7.005 7.005 7.421 -0.416 25933 4669 1 10 . 1 1 9 9 CYS N N 9 124.211 124.211 125.104 -0.893 25933 4670 1 10 . 1 1 9 9 CYS HA H 9 4.157 4.157 4.821 -0.664 25933 4671 1 10 . 1 1 9 9 CYS C C 9 178.384 178.384 175.731 2.653 25933 4672 1 10 . 1 1 9 9 CYS CA C 9 57.640 57.640 57.889 -0.249 25933 4673 1 10 . 1 1 9 9 CYS CB C 9 31.396 31.396 26.300 5.096 25933 4674 1 10 . 1 1 9 9 CYS H H 9 8.220 8.220 8.847 -0.627 25933 4675 1 10 . 1 1 10 10 PHE N N 10 131.759 131.759 128.264 3.495 25933 4676 1 10 . 1 1 10 10 PHE HA H 10 4.695 4.695 4.249 0.446 25933 4677 1 10 . 1 1 10 10 PHE C C 10 176.194 176.194 175.995 0.199 25933 4678 1 10 . 1 1 10 10 PHE CA C 10 55.935 55.935 60.467 -4.532 25933 4679 1 10 . 1 1 10 10 PHE CB C 10 38.279 38.279 39.792 -1.513 25933 4680 1 10 . 1 1 10 10 PHE H H 10 8.765 8.765 8.232 0.533 25933 4681 1 10 . 1 1 11 11 SER N N 11 114.027 114.027 114.841 -0.814 25933 4682 1 10 . 1 1 11 11 SER HA H 11 4.331 4.331 4.239 0.092 25933 4683 1 10 . 1 1 11 11 SER C C 11 175.836 175.836 175.018 0.818 25933 4684 1 10 . 1 1 11 11 SER CA C 11 61.956 61.956 61.029 0.927 25933 4685 1 10 . 1 1 11 11 SER CB C 11 63.774 63.774 63.494 0.280 25933 4686 1 10 . 1 1 11 11 SER H H 11 8.686 8.686 8.111 0.575 25933 4687 1 10 . 1 1 12 12 CYS N N 12 118.224 118.224 116.814 1.410 25933 4688 1 10 . 1 1 12 12 CYS HA H 12 5.121 5.121 4.790 0.331 25933 4689 1 10 . 1 1 12 12 CYS C C 12 176.817 176.817 175.812 1.005 25933 4690 1 10 . 1 1 12 12 CYS CA C 12 58.693 58.693 59.127 -0.434 25933 4691 1 10 . 1 1 12 12 CYS CB C 12 32.837 32.837 30.775 2.062 25933 4692 1 10 . 1 1 12 12 CYS H H 12 8.195 8.195 7.574 0.621 25933 4693 1 10 . 1 1 13 13 GLY N N 13 114.509 114.509 109.061 5.448 25933 4694 1 10 . 1 1 13 13 GLY C C 13 173.093 173.093 173.584 -0.491 25933 4695 1 10 . 1 1 13 13 GLY CA C 13 46.346 46.346 45.214 1.132 25933 4696 1 10 . 1 1 13 13 GLY H H 13 8.385 8.385 8.616 -0.231 25933 4697 1 10 . 1 1 14 14 ASP N N 14 122.123 122.123 121.113 1.010 25933 4698 1 10 . 1 1 14 14 ASP HA H 14 5.294 5.294 4.962 0.332 25933 4699 1 10 . 1 1 14 14 ASP C C 14 176.111 176.111 174.610 1.501 25933 4700 1 10 . 1 1 14 14 ASP CA C 14 53.304 53.304 53.743 -0.439 25933 4701 1 10 . 1 1 14 14 ASP CB C 14 43.175 43.175 44.045 -0.870 25933 4702 1 10 . 1 1 14 14 ASP H H 14 8.512 8.512 7.940 0.572 25933 4703 1 10 . 1 1 15 15 ALA N N 15 123.765 123.765 122.862 0.903 25933 4704 1 10 . 1 1 15 15 ALA HA H 15 4.679 4.679 4.508 0.171 25933 4705 1 10 . 1 1 15 15 ALA C C 15 177.375 177.375 177.033 0.342 25933 4706 1 10 . 1 1 15 15 ALA CA C 15 51.216 51.216 51.602 -0.386 25933 4707 1 10 . 1 1 15 15 ALA CB C 15 19.842 19.842 21.520 -1.677 25933 4708 1 10 . 1 1 15 15 ALA H H 15 8.538 8.538 8.370 0.168 25933 4709 1 10 . 1 1 16 16 GLY N N 16 108.898 108.898 110.412 -1.514 25933 4710 1 10 . 1 1 16 16 GLY C C 16 172.132 172.132 173.615 -1.483 25933 4711 1 10 . 1 1 16 16 GLY CA C 16 45.320 45.320 45.279 0.041 25933 4712 1 10 . 1 1 16 16 GLY H H 16 8.304 8.304 8.154 0.150 25933 4713 1 10 . 1 1 17 17 GLN N N 17 125.473 125.473 123.735 1.738 25933 4714 1 10 . 1 1 17 17 GLN HA H 17 4.359 4.359 4.435 -0.076 25933 4715 1 10 . 1 1 17 17 GLN C C 17 175.263 175.263 174.938 0.325 25933 4716 1 10 . 1 1 17 17 GLN CA C 17 55.779 55.779 55.681 0.098 25933 4717 1 10 . 1 1 17 17 GLN CB C 17 27.927 27.927 28.319 -0.392 25933 4718 1 10 . 1 1 17 17 GLN H H 17 8.887 8.887 8.514 0.373 25933 4719 1 10 . 1 1 18 18 LEU N N 18 127.246 127.246 125.904 1.342 25933 4720 1 10 . 1 1 18 18 LEU HA H 18 4.714 4.714 5.056 -0.342 25933 4721 1 10 . 1 1 18 18 LEU C C 18 177.078 177.078 176.069 1.009 25933 4722 1 10 . 1 1 18 18 LEU CA C 18 53.755 53.755 53.432 0.323 25933 4723 1 10 . 1 1 18 18 LEU CB C 18 44.191 44.191 44.193 -0.002 25933 4724 1 10 . 1 1 18 18 LEU H H 18 8.322 8.322 7.967 0.355 25933 4725 1 10 . 1 1 19 19 VAL N N 19 121.280 121.280 123.059 -1.779 25933 4726 1 10 . 1 1 19 19 VAL HA H 19 4.547 4.547 4.454 0.093 25933 4727 1 10 . 1 1 19 19 VAL C C 19 175.238 175.238 174.136 1.102 25933 4728 1 10 . 1 1 19 19 VAL CA C 19 59.975 59.975 60.444 -0.469 25933 4729 1 10 . 1 1 19 19 VAL CB C 19 33.809 33.809 35.084 -1.275 25933 4730 1 10 . 1 1 19 19 VAL H H 19 9.789 9.789 9.188 0.601 25933 4731 1 10 . 1 1 20 20 SER N N 20 118.562 118.562 122.387 -3.825 25933 4732 1 10 . 1 1 20 20 SER HA H 20 5.062 5.062 4.720 0.342 25933 4733 1 10 . 1 1 20 20 SER C C 20 174.439 174.439 174.280 0.159 25933 4734 1 10 . 1 1 20 20 SER CA C 20 57.132 57.132 57.058 0.074 25933 4735 1 10 . 1 1 20 20 SER CB C 20 64.811 64.811 64.450 0.361 25933 4736 1 10 . 1 1 20 20 SER H H 20 8.638 8.638 8.311 0.327 25933 4737 1 10 . 1 1 21 21 CYS N N 21 125.432 125.432 123.664 1.768 25933 4738 1 10 . 1 1 21 21 CYS HA H 21 4.311 4.311 4.654 -0.343 25933 4739 1 10 . 1 1 21 21 CYS CA C 21 61.656 61.656 59.673 1.982 25933 4740 1 10 . 1 1 21 21 CYS CB C 21 31.029 31.029 27.956 3.073 25933 4741 1 10 . 1 1 21 21 CYS H H 21 8.132 8.132 8.462 -0.330 25933 4742 1 10 . 1 1 22 22 LYS N N 22 125.587 125.587 124.719 0.868 25933 4743 1 10 . 1 1 22 22 LYS HA H 22 4.648 4.648 4.356 0.292 25933 4744 1 10 . 1 1 22 22 LYS C C 22 177.460 177.460 176.074 1.386 25933 4745 1 10 . 1 1 22 22 LYS H H 22 8.294 8.294 8.851 -0.557 25933 4746 1 10 . 1 1 23 23 LYS N N 23 130.703 130.703 120.746 9.957 25933 4747 1 10 . 1 1 23 23 LYS HA H 23 4.385 4.385 4.788 -0.403 25933 4748 1 10 . 1 1 23 23 LYS CA C 23 55.222 55.222 53.343 1.879 25933 4749 1 10 . 1 1 23 23 LYS CB C 23 33.949 33.949 33.867 0.082 25933 4750 1 10 . 1 1 23 23 LYS H H 23 9.496 9.496 7.820 1.676 25933 4751 1 10 . 1 1 24 24 PRO HA H 24 4.198 4.198 4.350 -0.152 25933 4752 1 10 . 1 1 24 24 PRO C C 24 177.835 177.835 177.587 0.248 25933 4753 1 10 . 1 1 24 24 PRO CA C 24 64.454 64.454 64.054 0.400 25933 4754 1 10 . 1 1 24 24 PRO CB C 24 31.420 31.420 31.560 -0.140 25933 4755 1 10 . 1 1 25 25 GLY N N 25 114.246 114.246 111.257 2.989 25933 4756 1 10 . 1 1 25 25 GLY C C 25 173.630 173.630 174.212 -0.582 25933 4757 1 10 . 1 1 25 25 GLY CA C 25 45.200 45.200 44.786 0.414 25933 4758 1 10 . 1 1 25 25 GLY H H 25 8.823 8.823 8.810 0.013 25933 4759 1 10 . 1 1 26 26 CYS N N 26 126.002 126.002 122.360 3.642 25933 4760 1 10 . 1 1 26 26 CYS HA H 26 5.014 5.014 5.023 -0.009 25933 4761 1 10 . 1 1 26 26 CYS CA C 26 56.747 56.747 55.213 1.534 25933 4762 1 10 . 1 1 26 26 CYS CB C 26 32.711 32.711 28.058 4.653 25933 4763 1 10 . 1 1 26 26 CYS H H 26 8.076 8.076 7.813 0.263 25933 4764 1 10 . 1 1 27 27 PRO HA H 27 4.802 4.802 4.913 -0.111 25933 4765 1 10 . 1 1 27 27 PRO C C 27 175.970 175.970 175.993 -0.023 25933 4766 1 10 . 1 1 27 27 PRO CA C 27 63.334 63.334 63.005 0.329 25933 4767 1 10 . 1 1 27 27 PRO CB C 27 32.920 32.920 32.138 0.782 25933 4768 1 10 . 1 1 28 28 LYS N N 28 121.413 121.413 119.937 1.476 25933 4769 1 10 . 1 1 28 28 LYS HA H 28 3.889 3.889 4.123 -0.234 25933 4770 1 10 . 1 1 28 28 LYS C C 28 175.961 175.961 174.723 1.238 25933 4771 1 10 . 1 1 28 28 LYS CA C 28 55.327 55.327 56.192 -0.865 25933 4772 1 10 . 1 1 28 28 LYS CB C 28 32.132 32.132 33.320 -1.188 25933 4773 1 10 . 1 1 28 28 LYS H H 28 8.353 8.353 7.464 0.889 25933 4774 1 10 . 1 1 29 29 VAL N N 29 115.183 115.183 119.303 -4.120 25933 4775 1 10 . 1 1 29 29 VAL HA H 29 5.286 5.286 4.235 1.051 25933 4776 1 10 . 1 1 29 29 VAL C C 29 174.480 174.480 173.020 1.460 25933 4777 1 10 . 1 1 29 29 VAL CA C 29 58.616 58.616 60.229 -1.613 25933 4778 1 10 . 1 1 29 29 VAL CB C 29 35.526 35.526 35.744 -0.218 25933 4779 1 10 . 1 1 29 29 VAL H H 29 8.346 8.346 7.949 0.397 25933 4780 1 10 . 1 1 30 30 TYR N N 30 114.639 114.639 119.941 -5.302 25933 4781 1 10 . 1 1 30 30 TYR HA H 30 5.821 5.821 4.713 1.108 25933 4782 1 10 . 1 1 30 30 TYR C C 30 177.221 177.221 174.369 2.852 25933 4783 1 10 . 1 1 30 30 TYR CA C 30 56.989 56.989 55.961 1.028 25933 4784 1 10 . 1 1 30 30 TYR CB C 30 45.110 45.110 41.851 3.259 25933 4785 1 10 . 1 1 30 30 TYR H H 30 8.792 8.792 8.479 0.313 25933 4786 1 10 . 1 1 31 31 HIS N N 31 121.470 121.470 119.157 2.313 25933 4787 1 10 . 1 1 31 31 HIS HA H 31 4.890 4.890 5.082 -0.192 25933 4788 1 10 . 1 1 31 31 HIS C C 31 177.595 177.595 176.276 1.319 25933 4789 1 10 . 1 1 31 31 HIS CA C 31 58.141 58.141 55.644 2.497 25933 4790 1 10 . 1 1 31 31 HIS CB C 31 30.737 30.737 30.704 0.033 25933 4791 1 10 . 1 1 31 31 HIS H H 31 9.164 9.164 8.260 0.904 25933 4792 1 10 . 1 1 32 32 ALA N N 32 129.786 129.786 127.598 2.188 25933 4793 1 10 . 1 1 32 32 ALA HA H 32 3.829 3.829 3.919 -0.090 25933 4794 1 10 . 1 1 32 32 ALA C C 32 180.494 180.494 178.352 2.142 25933 4795 1 10 . 1 1 32 32 ALA CA C 32 56.044 56.044 55.587 0.457 25933 4796 1 10 . 1 1 32 32 ALA CB C 32 17.179 17.179 18.836 -1.657 25933 4797 1 10 . 1 1 32 32 ALA H H 32 9.768 9.768 8.864 0.904 25933 4798 1 10 . 1 1 33 33 ASP N N 33 114.332 114.332 117.964 -3.632 25933 4799 1 10 . 1 1 33 33 ASP HA H 33 4.521 4.521 4.387 0.134 25933 4800 1 10 . 1 1 33 33 ASP C C 33 179.006 179.006 178.555 0.451 25933 4801 1 10 . 1 1 33 33 ASP CA C 33 56.541 56.541 57.348 -0.807 25933 4802 1 10 . 1 1 33 33 ASP CB C 33 40.316 40.316 40.758 -0.442 25933 4803 1 10 . 1 1 33 33 ASP H H 33 8.832 8.832 8.614 0.218 25933 4804 1 10 . 1 1 34 34 CYS N N 34 119.035 119.035 115.152 3.883 25933 4805 1 10 . 1 1 34 34 CYS HA H 34 4.224 4.224 4.360 -0.136 25933 4806 1 10 . 1 1 34 34 CYS C C 34 175.978 175.978 176.352 -0.374 25933 4807 1 10 . 1 1 34 34 CYS CA C 34 63.491 63.491 59.537 3.954 25933 4808 1 10 . 1 1 34 34 CYS CB C 34 28.925 28.925 26.549 2.376 25933 4809 1 10 . 1 1 34 34 CYS H H 34 7.364 7.364 8.513 -1.149 25933 4810 1 10 . 1 1 35 35 LEU N N 35 118.363 118.363 120.400 -2.037 25933 4811 1 10 . 1 1 35 35 LEU HA H 35 4.404 4.404 4.396 0.008 25933 4812 1 10 . 1 1 35 35 LEU C C 35 176.327 176.327 176.352 -0.025 25933 4813 1 10 . 1 1 35 35 LEU CA C 35 53.966 53.966 54.669 -0.703 25933 4814 1 10 . 1 1 35 35 LEU CB C 35 42.982 42.982 42.021 0.961 25933 4815 1 10 . 1 1 35 35 LEU H H 35 7.135 7.135 7.714 -0.579 25933 4816 1 10 . 1 1 36 36 ASN N N 36 116.501 116.501 116.459 0.042 25933 4817 1 10 . 1 1 36 36 ASN HA H 36 4.461 4.461 4.438 0.023 25933 4818 1 10 . 1 1 36 36 ASN C C 36 175.075 175.075 174.964 0.111 25933 4819 1 10 . 1 1 36 36 ASN CA C 36 54.055 54.055 53.724 0.331 25933 4820 1 10 . 1 1 36 36 ASN CB C 36 37.552 37.552 37.490 0.062 25933 4821 1 10 . 1 1 36 36 ASN H H 36 7.974 7.974 7.824 0.150 25933 4822 1 10 . 1 1 37 37 LEU N N 37 119.139 119.139 118.948 0.191 25933 4823 1 10 . 1 1 37 37 LEU HA H 37 4.472 4.472 4.348 0.124 25933 4824 1 10 . 1 1 37 37 LEU C C 37 178.114 178.114 176.941 1.173 25933 4825 1 10 . 1 1 37 37 LEU CA C 37 54.421 54.421 54.723 -0.302 25933 4826 1 10 . 1 1 37 37 LEU CB C 37 42.937 42.937 39.952 2.985 25933 4827 1 10 . 1 1 37 37 LEU H H 37 7.953 7.953 8.424 -0.471 25933 4828 1 10 . 1 1 38 38 THR N N 38 113.698 113.698 117.274 -3.576 25933 4829 1 10 . 1 1 38 38 THR HA H 38 4.224 4.224 4.156 0.068 25933 4830 1 10 . 1 1 38 38 THR C C 38 174.325 174.325 174.829 -0.504 25933 4831 1 10 . 1 1 38 38 THR CA C 38 62.608 62.608 64.372 -1.764 25933 4832 1 10 . 1 1 38 38 THR CB C 38 69.163 69.163 69.160 0.003 25933 4833 1 10 . 1 1 38 38 THR H H 38 8.465 8.465 7.877 0.588 25933 4834 1 10 . 1 1 39 39 LYS N N 39 120.070 120.070 121.445 -1.375 25933 4835 1 10 . 1 1 39 39 LYS HA H 39 4.383 4.383 4.444 -0.061 25933 4836 1 10 . 1 1 39 39 LYS C C 39 175.570 175.570 175.412 0.158 25933 4837 1 10 . 1 1 39 39 LYS CA C 39 54.864 54.864 55.174 -0.310 25933 4838 1 10 . 1 1 39 39 LYS CB C 39 34.079 34.079 33.684 0.395 25933 4839 1 10 . 1 1 39 39 LYS H H 39 7.595 7.595 8.099 -0.504 25933 4840 1 10 . 1 1 40 40 ARG N N 40 123.383 123.383 123.310 0.073 25933 4841 1 10 . 1 1 40 40 ARG HA H 40 4.163 4.163 4.512 -0.349 25933 4842 1 10 . 1 1 40 40 ARG CA C 40 54.474 54.474 54.045 0.429 25933 4843 1 10 . 1 1 40 40 ARG CB C 40 29.745 29.745 29.901 -0.156 25933 4844 1 10 . 1 1 40 40 ARG H H 40 8.372 8.372 8.289 0.083 25933 4845 1 10 . 1 1 41 41 PRO HA H 41 4.081 4.081 4.452 -0.371 25933 4846 1 10 . 1 1 41 41 PRO C C 41 176.215 176.215 175.701 0.514 25933 4847 1 10 . 1 1 41 41 PRO CA C 41 63.151 63.151 62.818 0.333 25933 4848 1 10 . 1 1 41 41 PRO CB C 41 32.154 32.154 32.042 0.112 25933 4849 1 10 . 1 1 42 42 ALA N N 42 126.233 126.233 125.389 0.844 25933 4850 1 10 . 1 1 42 42 ALA HA H 42 4.447 4.447 4.580 -0.133 25933 4851 1 10 . 1 1 42 42 ALA C C 42 177.947 177.947 177.227 0.720 25933 4852 1 10 . 1 1 42 42 ALA CA C 42 51.741 51.741 51.934 -0.193 25933 4853 1 10 . 1 1 42 42 ALA CB C 42 20.295 20.295 20.803 -0.508 25933 4854 1 10 . 1 1 42 42 ALA H H 42 8.368 8.368 8.115 0.253 25933 4855 1 10 . 1 1 43 43 GLY N N 43 108.071 108.071 112.062 -3.991 25933 4856 1 10 . 1 1 43 43 GLY C C 43 174.630 174.630 173.375 1.255 25933 4857 1 10 . 1 1 43 43 GLY CA C 43 45.871 45.871 45.041 0.830 25933 4858 1 10 . 1 1 43 43 GLY H H 43 8.499 8.499 8.499 -0.000 25933 4859 1 10 . 1 1 44 44 LYS N N 44 123.859 123.859 123.260 0.599 25933 4860 1 10 . 1 1 44 44 LYS HA H 44 4.325 4.325 4.719 -0.394 25933 4861 1 10 . 1 1 44 44 LYS CA C 44 56.012 56.012 55.732 0.280 25933 4862 1 10 . 1 1 44 44 LYS CB C 44 31.307 31.307 33.478 -2.171 25933 4863 1 10 . 1 1 44 44 LYS H H 44 8.485 8.485 8.371 0.114 25933 4864 1 10 . 1 1 45 45 TRP N N 45 124.364 124.364 127.212 -2.848 25933 4865 1 10 . 1 1 45 45 TRP HA H 45 4.317 4.317 4.760 -0.443 25933 4866 1 10 . 1 1 45 45 TRP CA C 45 58.972 58.972 56.385 2.587 25933 4867 1 10 . 1 1 45 45 TRP CB C 45 29.468 29.468 30.804 -1.336 25933 4868 1 10 . 1 1 45 45 TRP H H 45 7.419 7.419 8.872 -1.453 25933 4869 1 10 . 1 1 46 46 GLU N N 46 124.890 124.890 127.975 -3.085 25933 4870 1 10 . 1 1 46 46 GLU HA H 46 4.623 4.623 4.285 0.338 25933 4871 1 10 . 1 1 46 46 GLU CA C 46 53.864 53.864 55.022 -1.158 25933 4872 1 10 . 1 1 46 46 GLU H H 46 7.623 7.623 8.238 -0.615 25933 4873 1 10 . 1 1 47 47 CYS N N 47 130.384 130.384 122.737 7.647 25933 4874 1 10 . 1 1 47 47 CYS HA H 47 4.623 4.623 3.574 1.049 25933 4875 1 10 . 1 1 47 47 CYS H H 47 9.574 9.574 7.816 1.758 25933 4876 1 10 . 1 1 48 48 PRO HA H 48 4.704 4.704 4.179 0.525 25933 4877 1 10 . 1 1 48 48 PRO C C 48 177.973 177.973 177.693 0.280 25933 4878 1 10 . 1 1 48 48 PRO CA C 48 64.380 64.380 64.622 -0.242 25933 4879 1 10 . 1 1 48 48 PRO CB C 48 31.545 31.545 31.443 0.102 25933 4880 1 10 . 1 1 49 49 TRP N N 49 124.314 124.314 119.808 4.506 25933 4881 1 10 . 1 1 49 49 TRP HA H 49 5.248 5.248 4.545 0.703 25933 4882 1 10 . 1 1 49 49 TRP C C 49 179.054 179.054 175.371 3.683 25933 4883 1 10 . 1 1 49 49 TRP CA C 49 56.304 56.304 57.541 -1.237 25933 4884 1 10 . 1 1 49 49 TRP CB C 49 31.375 31.375 28.430 2.945 25933 4885 1 10 . 1 1 49 49 TRP H H 49 8.504 8.504 7.816 0.688 25933 4886 1 10 . 1 1 50 50 HIS N N 50 110.531 110.531 112.390 -1.859 25933 4887 1 10 . 1 1 50 50 HIS HA H 50 4.479 4.479 4.842 -0.363 25933 4888 1 10 . 1 1 50 50 HIS C C 50 175.070 175.070 174.896 0.174 25933 4889 1 10 . 1 1 50 50 HIS CA C 50 56.068 56.068 54.907 1.161 25933 4890 1 10 . 1 1 50 50 HIS CB C 50 28.267 28.267 30.398 -2.131 25933 4891 1 10 . 1 1 50 50 HIS H H 50 7.178 7.178 7.969 -0.791 25933 4892 1 10 . 1 1 51 51 GLN N N 51 118.176 118.176 118.616 -0.440 25933 4893 1 10 . 1 1 51 51 GLN HA H 51 4.638 4.638 5.182 -0.544 25933 4894 1 10 . 1 1 51 51 GLN C C 51 172.785 172.785 174.930 -2.145 25933 4895 1 10 . 1 1 51 51 GLN CA C 51 54.266 54.266 53.572 0.695 25933 4896 1 10 . 1 1 51 51 GLN CB C 51 30.779 30.779 30.558 0.221 25933 4897 1 10 . 1 1 51 51 GLN H H 51 7.243 7.243 7.542 -0.299 25933 4898 1 10 . 1 1 52 52 CYS N N 52 123.532 123.532 127.158 -3.626 25933 4899 1 10 . 1 1 52 52 CYS HA H 52 4.049 4.049 4.462 -0.413 25933 4900 1 10 . 1 1 52 52 CYS C C 52 177.807 177.807 176.179 1.628 25933 4901 1 10 . 1 1 52 52 CYS CA C 52 58.257 58.257 59.381 -1.124 25933 4902 1 10 . 1 1 52 52 CYS CB C 52 31.165 31.165 27.661 3.504 25933 4903 1 10 . 1 1 52 52 CYS H H 52 9.344 9.344 9.124 0.220 25933 4904 1 10 . 1 1 53 53 ASP N N 53 134.328 134.328 128.460 5.868 25933 4905 1 10 . 1 1 53 53 ASP HA H 53 4.190 4.190 4.424 -0.234 25933 4906 1 10 . 1 1 53 53 ASP C C 53 176.732 176.732 176.566 0.166 25933 4907 1 10 . 1 1 53 53 ASP CA C 53 57.384 57.384 56.639 0.745 25933 4908 1 10 . 1 1 53 53 ASP CB C 53 41.122 41.122 41.036 0.086 25933 4909 1 10 . 1 1 53 53 ASP H H 53 9.185 9.185 8.803 0.382 25933 4910 1 10 . 1 1 54 54 VAL N N 54 119.653 119.653 119.762 -0.109 25933 4911 1 10 . 1 1 54 54 VAL HA H 54 3.877 3.877 3.996 -0.119 25933 4912 1 10 . 1 1 54 54 VAL C C 54 177.243 177.243 176.793 0.450 25933 4913 1 10 . 1 1 54 54 VAL CA C 54 65.092 65.092 64.768 0.324 25933 4914 1 10 . 1 1 54 54 VAL CB C 54 33.012 33.012 32.440 0.572 25933 4915 1 10 . 1 1 54 54 VAL H H 54 8.796 8.796 7.955 0.841 25933 4916 1 10 . 1 1 55 55 CYS N N 55 115.992 115.992 115.378 0.614 25933 4917 1 10 . 1 1 55 55 CYS HA H 55 5.112 5.112 4.956 0.156 25933 4918 1 10 . 1 1 55 55 CYS C C 55 176.818 176.818 176.187 0.631 25933 4919 1 10 . 1 1 55 55 CYS CA C 55 58.337 58.337 58.205 0.132 25933 4920 1 10 . 1 1 55 55 CYS CB C 55 34.324 34.324 29.814 4.510 25933 4921 1 10 . 1 1 55 55 CYS H H 55 7.604 7.604 8.140 -0.536 25933 4922 1 10 . 1 1 56 56 GLY N N 56 114.227 114.227 111.070 3.157 25933 4923 1 10 . 1 1 56 56 GLY C C 56 173.824 173.824 173.860 -0.036 25933 4924 1 10 . 1 1 56 56 GLY CA C 56 46.409 46.409 45.716 0.693 25933 4925 1 10 . 1 1 56 56 GLY H H 56 8.548 8.548 8.690 -0.142 25933 4926 1 10 . 1 1 57 57 LYS N N 57 122.126 122.126 119.585 2.541 25933 4927 1 10 . 1 1 57 57 LYS HA H 57 4.412 4.412 4.479 -0.067 25933 4928 1 10 . 1 1 57 57 LYS C C 57 175.055 175.055 175.660 -0.605 25933 4929 1 10 . 1 1 57 57 LYS CA C 57 56.717 56.717 55.105 1.612 25933 4930 1 10 . 1 1 57 57 LYS CB C 57 33.143 33.143 34.003 -0.860 25933 4931 1 10 . 1 1 57 57 LYS H H 57 8.314 8.314 7.434 0.880 25933 4932 1 10 . 1 1 58 58 GLU N N 58 120.782 120.782 120.362 0.420 25933 4933 1 10 . 1 1 58 58 GLU HA H 58 4.153 4.153 4.307 -0.154 25933 4934 1 10 . 1 1 58 58 GLU C C 58 176.662 176.662 176.032 0.630 25933 4935 1 10 . 1 1 58 58 GLU CA C 58 57.913 57.913 57.031 0.882 25933 4936 1 10 . 1 1 58 58 GLU CB C 58 29.825 29.825 30.065 -0.240 25933 4937 1 10 . 1 1 58 58 GLU H H 58 8.502 8.502 8.577 -0.075 25933 4938 1 10 . 1 1 59 59 ALA N N 59 127.052 127.052 128.210 -1.158 25933 4939 1 10 . 1 1 59 59 ALA HA H 59 3.402 3.402 4.498 -1.097 25933 4940 1 10 . 1 1 59 59 ALA C C 59 175.529 175.529 176.006 -0.477 25933 4941 1 10 . 1 1 59 59 ALA CA C 59 52.238 52.238 51.644 0.594 25933 4942 1 10 . 1 1 59 59 ALA CB C 59 19.006 19.006 20.083 -1.077 25933 4943 1 10 . 1 1 59 59 ALA H H 59 7.812 7.812 8.575 -0.763 25933 4944 1 10 . 1 1 60 60 ALA N N 60 122.703 122.703 123.456 -0.753 25933 4945 1 10 . 1 1 60 60 ALA HA H 60 4.473 4.473 4.484 -0.011 25933 4946 1 10 . 1 1 60 60 ALA C C 60 176.087 176.087 176.636 -0.549 25933 4947 1 10 . 1 1 60 60 ALA CA C 60 51.930 51.930 52.116 -0.186 25933 4948 1 10 . 1 1 60 60 ALA CB C 60 23.146 23.146 20.917 2.229 25933 4949 1 10 . 1 1 60 60 ALA H H 60 8.356 8.356 8.579 -0.223 25933 4950 1 10 . 1 1 61 61 SER N N 61 114.279 114.279 114.245 0.034 25933 4951 1 10 . 1 1 61 61 SER HA H 61 4.637 4.637 4.118 0.519 25933 4952 1 10 . 1 1 61 61 SER C C 61 171.865 171.865 172.867 -1.002 25933 4953 1 10 . 1 1 61 61 SER CA C 61 58.060 58.060 56.599 1.461 25933 4954 1 10 . 1 1 61 61 SER CB C 61 66.719 66.719 64.964 1.755 25933 4955 1 10 . 1 1 61 61 SER H H 61 7.427 7.427 7.863 -0.436 25933 4956 1 10 . 1 1 62 62 PHE N N 62 123.075 123.075 119.217 3.858 25933 4957 1 10 . 1 1 62 62 PHE HA H 62 4.342 4.342 4.545 -0.203 25933 4958 1 10 . 1 1 62 62 PHE C C 62 174.547 174.547 175.551 -1.004 25933 4959 1 10 . 1 1 62 62 PHE CA C 62 57.701 57.701 55.774 1.927 25933 4960 1 10 . 1 1 62 62 PHE CB C 62 41.207 41.207 40.812 0.395 25933 4961 1 10 . 1 1 62 62 PHE H H 62 8.193 8.193 7.757 0.436 25933 4962 1 10 . 1 1 63 63 CYS N N 63 126.326 126.326 125.294 1.032 25933 4963 1 10 . 1 1 63 63 CYS HA H 63 4.297 4.297 4.730 -0.433 25933 4964 1 10 . 1 1 63 63 CYS C C 63 176.289 176.289 176.517 -0.228 25933 4965 1 10 . 1 1 63 63 CYS CA C 63 61.098 61.098 58.626 2.472 25933 4966 1 10 . 1 1 63 63 CYS CB C 63 29.621 29.621 27.688 1.933 25933 4967 1 10 . 1 1 63 63 CYS H H 63 9.106 9.106 8.986 0.120 25933 4968 1 10 . 1 1 64 64 GLU N N 64 124.601 124.601 129.334 -4.733 25933 4969 1 10 . 1 1 64 64 GLU HA H 64 4.887 4.887 4.716 0.171 25933 4970 1 10 . 1 1 64 64 GLU C C 64 177.682 177.682 176.963 0.719 25933 4971 1 10 . 1 1 64 64 GLU CA C 64 58.619 58.619 57.534 1.085 25933 4972 1 10 . 1 1 64 64 GLU CB C 64 30.567 30.567 29.739 0.828 25933 4973 1 10 . 1 1 64 64 GLU H H 64 8.911 8.911 9.336 -0.425 25933 4974 1 10 . 1 1 65 65 MET N N 65 121.669 121.669 115.888 5.781 25933 4975 1 10 . 1 1 65 65 MET HA H 65 4.536 4.536 4.853 -0.317 25933 4976 1 10 . 1 1 65 65 MET C C 65 173.906 173.906 175.201 -1.295 25933 4977 1 10 . 1 1 65 65 MET CA C 65 56.157 56.157 55.684 0.473 25933 4978 1 10 . 1 1 65 65 MET CB C 65 33.770 33.770 34.671 -0.901 25933 4979 1 10 . 1 1 65 65 MET H H 65 9.972 9.972 8.547 1.425 25933 4980 1 10 . 1 1 66 66 CYS N N 66 127.827 127.827 115.127 12.700 25933 4981 1 10 . 1 1 66 66 CYS HA H 66 3.424 3.424 4.738 -1.314 25933 4982 1 10 . 1 1 66 66 CYS CA C 66 57.581 57.581 57.307 0.274 25933 4983 1 10 . 1 1 66 66 CYS CB C 66 29.900 29.900 28.919 0.981 25933 4984 1 10 . 1 1 66 66 CYS H H 66 8.286 8.286 8.040 0.246 25933 4985 1 10 . 1 1 67 67 PRO HA H 67 4.660 4.660 4.350 0.310 25933 4986 1 10 . 1 1 67 67 PRO C C 67 176.387 176.387 175.612 0.775 25933 4987 1 10 . 1 1 67 67 PRO CA C 67 64.462 64.462 63.376 1.086 25933 4988 1 10 . 1 1 67 67 PRO CB C 67 31.018 31.018 30.486 0.532 25933 4989 1 10 . 1 1 68 68 SER N N 68 122.983 122.983 116.854 6.129 25933 4990 1 10 . 1 1 68 68 SER HA H 68 5.148 5.148 4.522 0.626 25933 4991 1 10 . 1 1 68 68 SER C C 68 173.421 173.421 173.139 0.282 25933 4992 1 10 . 1 1 68 68 SER CA C 68 59.799 59.799 58.493 1.306 25933 4993 1 10 . 1 1 68 68 SER CB C 68 64.047 64.047 64.710 -0.663 25933 4994 1 10 . 1 1 68 68 SER H H 68 8.864 8.864 7.698 1.166 25933 4995 1 10 . 1 1 69 69 SER N N 69 115.147 115.147 119.896 -4.749 25933 4996 1 10 . 1 1 69 69 SER HA H 69 4.443 4.443 5.013 -0.570 25933 4997 1 10 . 1 1 69 69 SER C C 69 171.436 171.436 172.475 -1.039 25933 4998 1 10 . 1 1 69 69 SER CA C 69 56.585 56.585 56.726 -0.141 25933 4999 1 10 . 1 1 69 69 SER CB C 69 63.959 63.959 66.007 -2.047 25933 5000 1 10 . 1 1 69 69 SER H H 69 7.874 7.874 8.261 -0.387 25933 5001 1 10 . 1 1 70 70 PHE N N 70 112.477 112.477 116.921 -4.444 25933 5002 1 10 . 1 1 70 70 PHE HA H 70 6.052 6.052 5.018 1.034 25933 5003 1 10 . 1 1 70 70 PHE C C 70 176.905 176.905 175.112 1.793 25933 5004 1 10 . 1 1 70 70 PHE CA C 70 57.026 57.026 56.814 0.212 25933 5005 1 10 . 1 1 70 70 PHE CB C 70 45.774 45.774 43.683 2.091 25933 5006 1 10 . 1 1 70 70 PHE H H 70 8.192 8.192 8.724 -0.532 25933 5007 1 10 . 1 1 71 71 CYS N N 71 121.843 121.843 119.469 2.374 25933 5008 1 10 . 1 1 71 71 CYS HA H 71 4.806 4.806 4.839 -0.033 25933 5009 1 10 . 1 1 71 71 CYS C C 71 174.332 174.332 175.831 -1.499 25933 5010 1 10 . 1 1 71 71 CYS CA C 71 58.618 58.618 56.841 1.777 25933 5011 1 10 . 1 1 71 71 CYS CB C 71 30.249 30.249 30.325 -0.076 25933 5012 1 10 . 1 1 71 71 CYS H H 71 9.511 9.511 8.699 0.812 25933 5013 1 10 . 1 1 72 72 LYS N N 72 118.091 118.091 119.569 -1.478 25933 5014 1 10 . 1 1 72 72 LYS HA H 72 3.679 3.679 3.859 -0.180 25933 5015 1 10 . 1 1 72 72 LYS C C 72 177.831 177.831 179.211 -1.380 25933 5016 1 10 . 1 1 72 72 LYS CA C 72 60.445 60.445 60.054 0.390 25933 5017 1 10 . 1 1 72 72 LYS CB C 72 32.277 32.277 32.004 0.273 25933 5018 1 10 . 1 1 72 72 LYS H H 72 8.804 8.804 8.709 0.095 25933 5019 1 10 . 1 1 73 73 GLN N N 73 118.381 118.381 116.998 1.383 25933 5020 1 10 . 1 1 73 73 GLN HA H 73 4.078 4.078 4.089 -0.011 25933 5021 1 10 . 1 1 73 73 GLN C C 73 177.491 177.491 177.979 -0.488 25933 5022 1 10 . 1 1 73 73 GLN CA C 73 57.894 57.894 58.011 -0.117 25933 5023 1 10 . 1 1 73 73 GLN CB C 73 28.754 28.754 28.800 -0.046 25933 5024 1 10 . 1 1 73 73 GLN H H 73 8.139 8.139 7.781 0.358 25933 5025 1 10 . 1 1 74 74 HIS N N 74 117.140 117.140 115.812 1.328 25933 5026 1 10 . 1 1 74 74 HIS HA H 74 5.015 5.015 4.684 0.331 25933 5027 1 10 . 1 1 74 74 HIS C C 74 174.206 174.206 175.904 -1.698 25933 5028 1 10 . 1 1 74 74 HIS CA C 74 57.692 57.692 56.292 1.400 25933 5029 1 10 . 1 1 74 74 HIS CB C 74 32.739 32.739 29.958 2.781 25933 5030 1 10 . 1 1 74 74 HIS H H 74 7.628 7.628 7.415 0.213 25933 5031 1 10 . 1 1 75 75 ARG N N 75 115.977 115.977 118.335 -2.358 25933 5032 1 10 . 1 1 75 75 ARG HA H 75 3.699 3.699 4.190 -0.491 25933 5033 1 10 . 1 1 75 75 ARG C C 75 176.493 176.493 175.831 0.662 25933 5034 1 10 . 1 1 75 75 ARG CA C 75 57.925 57.925 57.248 0.677 25933 5035 1 10 . 1 1 75 75 ARG CB C 75 30.179 30.179 30.320 -0.141 25933 5036 1 10 . 1 1 75 75 ARG H H 75 7.415 7.415 7.849 -0.434 25933 5037 1 10 . 1 1 76 76 GLU N N 76 123.649 123.649 121.667 1.982 25933 5038 1 10 . 1 1 76 76 GLU HA H 76 3.955 3.955 4.139 -0.184 25933 5039 1 10 . 1 1 76 76 GLU C C 76 177.401 177.401 177.303 0.098 25933 5040 1 10 . 1 1 76 76 GLU CA C 76 58.208 58.208 57.416 0.792 25933 5041 1 10 . 1 1 76 76 GLU CB C 76 28.668 28.668 29.220 -0.551 25933 5042 1 10 . 1 1 76 76 GLU H H 76 8.094 8.094 7.389 0.705 25933 5043 1 10 . 1 1 77 77 GLY N N 77 114.787 114.787 114.321 0.466 25933 5044 1 10 . 1 1 77 77 GLY C C 77 174.193 174.193 174.743 -0.550 25933 5045 1 10 . 1 1 77 77 GLY CA C 77 45.502 45.502 46.490 -0.988 25933 5046 1 10 . 1 1 77 77 GLY H H 77 8.831 8.831 9.107 -0.276 25933 5047 1 10 . 1 1 78 78 MET N N 78 115.494 115.494 117.114 -1.620 25933 5048 1 10 . 1 1 78 78 MET HA H 78 4.608 4.608 4.480 0.128 25933 5049 1 10 . 1 1 78 78 MET C C 78 175.808 175.808 175.137 0.671 25933 5050 1 10 . 1 1 78 78 MET CA C 78 53.865 53.865 55.090 -1.225 25933 5051 1 10 . 1 1 78 78 MET CB C 78 33.146 33.146 33.916 -0.770 25933 5052 1 10 . 1 1 78 78 MET H H 78 7.320 7.320 7.390 -0.070 25933 5053 1 10 . 1 1 79 79 LEU N N 79 116.112 116.112 119.759 -3.647 25933 5054 1 10 . 1 1 79 79 LEU HA H 79 5.083 5.083 4.771 0.312 25933 5055 1 10 . 1 1 79 79 LEU C C 79 175.580 175.580 174.701 0.879 25933 5056 1 10 . 1 1 79 79 LEU CA C 79 52.710 52.710 53.909 -1.199 25933 5057 1 10 . 1 1 79 79 LEU CB C 79 46.268 46.268 45.388 0.880 25933 5058 1 10 . 1 1 79 79 LEU H H 79 6.783 6.783 7.665 -0.882 25933 5059 1 10 . 1 1 80 80 PHE N N 80 121.484 121.484 120.785 0.699 25933 5060 1 10 . 1 1 80 80 PHE HA H 80 4.773 4.773 4.915 -0.142 25933 5061 1 10 . 1 1 80 80 PHE C C 80 174.354 174.354 173.558 0.796 25933 5062 1 10 . 1 1 80 80 PHE CA C 80 56.225 56.225 55.581 0.644 25933 5063 1 10 . 1 1 80 80 PHE CB C 80 42.377 42.377 41.310 1.067 25933 5064 1 10 . 1 1 80 80 PHE H H 80 9.296 9.296 8.539 0.757 25933 5065 1 10 . 1 1 81 81 ILE N N 81 123.854 123.854 121.140 2.714 25933 5066 1 10 . 1 1 81 81 ILE HA H 81 4.088 4.088 4.584 -0.496 25933 5067 1 10 . 1 1 81 81 ILE C C 81 176.829 176.829 176.372 0.457 25933 5068 1 10 . 1 1 81 81 ILE CA C 81 60.636 60.636 60.888 -0.251 25933 5069 1 10 . 1 1 81 81 ILE CB C 81 37.486 37.486 37.014 0.472 25933 5070 1 10 . 1 1 81 81 ILE H H 81 8.798 8.798 8.461 0.337 25933 5071 1 10 . 1 1 82 82 SER N N 82 124.730 124.730 122.913 1.817 25933 5072 1 10 . 1 1 82 82 SER HA H 82 4.530 4.530 4.668 -0.138 25933 5073 1 10 . 1 1 82 82 SER C C 82 177.460 177.460 175.369 2.091 25933 5074 1 10 . 1 1 82 82 SER CA C 82 58.180 58.180 57.724 0.456 25933 5075 1 10 . 1 1 82 82 SER CB C 82 64.054 64.054 64.529 -0.475 25933 5076 1 10 . 1 1 82 82 SER H H 82 8.898 8.898 9.012 -0.114 25933 5077 1 10 . 1 1 83 83 LYS N N 83 129.518 129.518 128.084 1.434 25933 5078 1 10 . 1 1 83 83 LYS HA H 83 4.198 4.198 4.236 -0.038 25933 5079 1 10 . 1 1 83 83 LYS C C 83 177.173 177.173 176.976 0.197 25933 5080 1 10 . 1 1 83 83 LYS CA C 83 57.848 57.848 58.325 -0.478 25933 5081 1 10 . 1 1 83 83 LYS CB C 83 32.376 32.376 32.203 0.173 25933 5082 1 10 . 1 1 83 83 LYS H H 83 9.269 9.269 8.871 0.398 25933 5083 1 10 . 1 1 84 84 LEU N N 84 120.539 120.539 120.526 0.013 25933 5084 1 10 . 1 1 84 84 LEU HA H 84 4.284 4.284 4.135 0.149 25933 5085 1 10 . 1 1 84 84 LEU C C 84 178.443 178.443 178.321 0.122 25933 5086 1 10 . 1 1 84 84 LEU CA C 84 56.827 56.827 57.279 -0.452 25933 5087 1 10 . 1 1 84 84 LEU CB C 84 41.901 41.901 42.303 -0.402 25933 5088 1 10 . 1 1 84 84 LEU H H 84 8.364 8.364 7.605 0.759 25933 5089 1 10 . 1 1 85 85 ASP N N 85 114.333 114.333 115.123 -0.790 25933 5090 1 10 . 1 1 85 85 ASP HA H 85 4.737 4.737 4.817 -0.080 25933 5091 1 10 . 1 1 85 85 ASP C C 85 177.413 177.413 177.141 0.272 25933 5092 1 10 . 1 1 85 85 ASP CA C 85 53.056 53.056 53.863 -0.807 25933 5093 1 10 . 1 1 85 85 ASP CB C 85 42.065 42.065 42.199 -0.134 25933 5094 1 10 . 1 1 85 85 ASP H H 85 7.326 7.326 8.072 -0.746 25933 5095 1 10 . 1 1 86 86 GLY N N 86 108.607 108.607 109.273 -0.666 25933 5096 1 10 . 1 1 86 86 GLY C C 86 174.036 174.036 174.142 -0.106 25933 5097 1 10 . 1 1 86 86 GLY CA C 86 46.037 46.037 45.828 0.209 25933 5098 1 10 . 1 1 86 86 GLY H H 86 7.901 7.901 8.322 -0.421 25933 5099 1 10 . 1 1 87 87 ARG N N 87 120.598 120.598 118.764 1.834 25933 5100 1 10 . 1 1 87 87 ARG HA H 87 4.345 4.345 4.637 -0.292 25933 5101 1 10 . 1 1 87 87 ARG C C 87 175.968 175.968 176.318 -0.350 25933 5102 1 10 . 1 1 87 87 ARG CA C 87 56.810 56.810 54.840 1.970 25933 5103 1 10 . 1 1 87 87 ARG CB C 87 31.934 31.934 32.008 -0.074 25933 5104 1 10 . 1 1 87 87 ARG H H 87 7.948 7.948 7.640 0.308 25933 5105 1 10 . 1 1 88 88 LEU N N 88 126.752 126.752 124.679 2.073 25933 5106 1 10 . 1 1 88 88 LEU HA H 88 4.576 4.576 4.515 0.061 25933 5107 1 10 . 1 1 88 88 LEU C C 88 176.060 176.060 176.016 0.044 25933 5108 1 10 . 1 1 88 88 LEU CA C 88 55.558 55.558 55.553 0.005 25933 5109 1 10 . 1 1 88 88 LEU CB C 88 42.815 42.815 41.304 1.511 25933 5110 1 10 . 1 1 88 88 LEU H H 88 8.968 8.968 9.393 -0.425 25933 5111 1 10 . 1 1 89 89 SER N N 89 118.859 118.859 119.329 -0.470 25933 5112 1 10 . 1 1 89 89 SER HA H 89 6.146 6.146 5.149 0.997 25933 5113 1 10 . 1 1 89 89 SER C C 89 174.338 174.338 174.302 0.036 25933 5114 1 10 . 1 1 89 89 SER CA C 89 56.311 56.311 55.391 0.920 25933 5115 1 10 . 1 1 89 89 SER CB C 89 67.072 67.072 64.913 2.159 25933 5116 1 10 . 1 1 89 89 SER H H 89 9.083 9.083 8.916 0.167 25933 5117 1 10 . 1 1 90 90 CYS N N 90 128.907 128.907 120.722 8.185 25933 5118 1 10 . 1 1 90 90 CYS HA H 90 5.815 5.815 5.390 0.425 25933 5119 1 10 . 1 1 90 90 CYS C C 90 176.386 176.386 177.085 -0.699 25933 5120 1 10 . 1 1 90 90 CYS CA C 90 58.908 58.908 56.465 2.443 25933 5121 1 10 . 1 1 90 90 CYS CB C 90 29.444 29.444 29.918 -0.474 25933 5122 1 10 . 1 1 90 90 CYS H H 90 10.389 10.389 8.218 2.171 25933 5123 1 10 . 1 1 91 91 THR N N 91 108.692 108.692 111.962 -3.270 25933 5124 1 10 . 1 1 91 91 THR HA H 91 4.398 4.398 4.503 -0.105 25933 5125 1 10 . 1 1 91 91 THR C C 91 175.912 175.912 174.997 0.915 25933 5126 1 10 . 1 1 91 91 THR CA C 91 63.576 63.576 63.090 0.486 25933 5127 1 10 . 1 1 91 91 THR CB C 91 69.172 69.172 68.242 0.930 25933 5128 1 10 . 1 1 91 91 THR H H 91 8.435 8.435 8.281 0.154 25933 5129 1 10 . 1 1 92 92 GLU N N 92 123.418 123.418 120.049 3.369 25933 5130 1 10 . 1 1 92 92 GLU HA H 92 4.280 4.280 4.520 -0.240 25933 5131 1 10 . 1 1 92 92 GLU C C 92 175.937 175.937 176.258 -0.321 25933 5132 1 10 . 1 1 92 92 GLU CA C 92 56.582 56.582 56.140 0.442 25933 5133 1 10 . 1 1 92 92 GLU CB C 92 28.887 28.887 30.259 -1.373 25933 5134 1 10 . 1 1 92 92 GLU H H 92 8.626 8.626 7.600 1.026 25933 5135 1 10 . 1 1 93 93 HIS N N 93 117.178 117.178 117.931 -0.753 25933 5136 1 10 . 1 1 93 93 HIS HA H 93 4.789 4.789 4.866 -0.077 25933 5137 1 10 . 1 1 93 93 HIS C C 93 174.016 174.016 173.634 0.382 25933 5138 1 10 . 1 1 93 93 HIS CA C 93 54.275 54.275 55.012 -0.737 25933 5139 1 10 . 1 1 93 93 HIS CB C 93 29.373 29.373 29.488 -0.115 25933 5140 1 10 . 1 1 93 93 HIS H H 93 7.244 7.244 7.977 -0.733 25933 5141 1 11 . 1 1 2 2 ALA N N 2 124.503 124.503 124.120 0.383 25933 5142 1 11 . 1 1 2 2 ALA HA H 2 4.337 4.337 4.742 -0.405 25933 5143 1 11 . 1 1 2 2 ALA C C 2 177.688 177.688 177.219 0.469 25933 5144 1 11 . 1 1 2 2 ALA CA C 2 52.598 52.598 51.842 0.756 25933 5145 1 11 . 1 1 2 2 ALA CB C 2 19.375 19.375 19.122 0.253 25933 5146 1 11 . 1 1 2 2 ALA H H 2 8.639 8.639 8.021 0.618 25933 5147 1 11 . 1 1 3 3 MET N N 3 120.183 120.183 116.645 3.538 25933 5148 1 11 . 1 1 3 3 MET HA H 3 4.402 4.402 4.066 0.336 25933 5149 1 11 . 1 1 3 3 MET C C 3 176.072 176.072 175.041 1.031 25933 5150 1 11 . 1 1 3 3 MET CA C 3 55.636 55.636 55.587 0.049 25933 5151 1 11 . 1 1 3 3 MET CB C 3 32.936 32.936 31.511 1.425 25933 5152 1 11 . 1 1 3 3 MET H H 3 8.483 8.483 8.221 0.262 25933 5153 1 11 . 1 1 4 4 GLU N N 4 123.573 123.573 118.824 4.749 25933 5154 1 11 . 1 1 4 4 GLU HA H 4 4.255 4.255 4.284 -0.029 25933 5155 1 11 . 1 1 4 4 GLU C C 4 175.719 175.719 175.868 -0.149 25933 5156 1 11 . 1 1 4 4 GLU CA C 4 56.516 56.516 55.911 0.605 25933 5157 1 11 . 1 1 4 4 GLU CB C 4 30.209 30.209 28.935 1.274 25933 5158 1 11 . 1 1 4 4 GLU H H 4 8.417 8.417 8.178 0.239 25933 5159 1 11 . 1 1 5 5 ARG N N 5 121.879 121.879 126.974 -5.095 25933 5160 1 11 . 1 1 5 5 ARG HA H 5 4.327 4.327 4.535 -0.208 25933 5161 1 11 . 1 1 5 5 ARG C C 5 175.991 175.991 176.655 -0.664 25933 5162 1 11 . 1 1 5 5 ARG CA C 5 55.879 55.879 56.183 -0.304 25933 5163 1 11 . 1 1 5 5 ARG CB C 5 31.336 31.336 30.871 0.465 25933 5164 1 11 . 1 1 5 5 ARG H H 5 8.099 8.099 8.066 0.033 25933 5165 1 11 . 1 1 6 6 GLU N N 6 124.508 124.508 126.496 -1.988 25933 5166 1 11 . 1 1 6 6 GLU HA H 6 4.245 4.245 4.344 -0.099 25933 5167 1 11 . 1 1 6 6 GLU C C 6 174.941 174.941 175.995 -1.054 25933 5168 1 11 . 1 1 6 6 GLU CA C 6 56.775 56.775 55.226 1.549 25933 5169 1 11 . 1 1 6 6 GLU CB C 6 30.421 30.421 30.559 -0.138 25933 5170 1 11 . 1 1 6 6 GLU H H 6 8.560 8.560 8.533 0.027 25933 5171 1 11 . 1 1 7 7 ASP N N 7 117.067 117.067 123.694 -6.627 25933 5172 1 11 . 1 1 7 7 ASP HA H 7 4.520 4.520 4.551 -0.031 25933 5173 1 11 . 1 1 7 7 ASP C C 7 174.744 174.744 174.914 -0.170 25933 5174 1 11 . 1 1 7 7 ASP CA C 7 53.697 53.697 54.071 -0.374 25933 5175 1 11 . 1 1 7 7 ASP CB C 7 42.222 42.222 39.794 2.428 25933 5176 1 11 . 1 1 7 7 ASP H H 7 8.237 8.237 8.571 -0.334 25933 5177 1 11 . 1 1 8 8 GLU N N 8 116.268 116.268 118.863 -2.595 25933 5178 1 11 . 1 1 8 8 GLU HA H 8 4.083 4.083 4.365 -0.282 25933 5179 1 11 . 1 1 8 8 GLU C C 8 173.257 173.257 174.084 -0.827 25933 5180 1 11 . 1 1 8 8 GLU CA C 8 54.382 54.382 54.989 -0.607 25933 5181 1 11 . 1 1 8 8 GLU CB C 8 32.438 32.438 33.017 -0.579 25933 5182 1 11 . 1 1 8 8 GLU H H 8 7.005 7.005 7.903 -0.898 25933 5183 1 11 . 1 1 9 9 CYS N N 9 124.211 124.211 125.083 -0.872 25933 5184 1 11 . 1 1 9 9 CYS HA H 9 4.157 4.157 4.726 -0.569 25933 5185 1 11 . 1 1 9 9 CYS C C 9 178.384 178.384 175.845 2.539 25933 5186 1 11 . 1 1 9 9 CYS CA C 9 57.640 57.640 57.962 -0.322 25933 5187 1 11 . 1 1 9 9 CYS CB C 9 31.396 31.396 26.547 4.849 25933 5188 1 11 . 1 1 9 9 CYS H H 9 8.220 8.220 8.716 -0.496 25933 5189 1 11 . 1 1 10 10 PHE N N 10 131.759 131.759 128.337 3.422 25933 5190 1 11 . 1 1 10 10 PHE HA H 10 4.695 4.695 4.157 0.538 25933 5191 1 11 . 1 1 10 10 PHE C C 10 176.194 176.194 175.927 0.267 25933 5192 1 11 . 1 1 10 10 PHE CA C 10 55.935 55.935 60.826 -4.891 25933 5193 1 11 . 1 1 10 10 PHE CB C 10 38.279 38.279 39.608 -1.329 25933 5194 1 11 . 1 1 10 10 PHE H H 10 8.765 8.765 8.181 0.584 25933 5195 1 11 . 1 1 11 11 SER N N 11 114.027 114.027 114.459 -0.432 25933 5196 1 11 . 1 1 11 11 SER HA H 11 4.331 4.331 4.238 0.093 25933 5197 1 11 . 1 1 11 11 SER C C 11 175.836 175.836 174.650 1.186 25933 5198 1 11 . 1 1 11 11 SER CA C 11 61.956 61.956 60.893 1.063 25933 5199 1 11 . 1 1 11 11 SER CB C 11 63.774 63.774 63.701 0.073 25933 5200 1 11 . 1 1 11 11 SER H H 11 8.686 8.686 8.072 0.614 25933 5201 1 11 . 1 1 12 12 CYS N N 12 118.224 118.224 116.918 1.306 25933 5202 1 11 . 1 1 12 12 CYS HA H 12 5.121 5.121 4.784 0.337 25933 5203 1 11 . 1 1 12 12 CYS C C 12 176.817 176.817 175.691 1.126 25933 5204 1 11 . 1 1 12 12 CYS CA C 12 58.693 58.693 59.016 -0.323 25933 5205 1 11 . 1 1 12 12 CYS CB C 12 32.837 32.837 30.639 2.198 25933 5206 1 11 . 1 1 12 12 CYS H H 12 8.195 8.195 7.506 0.689 25933 5207 1 11 . 1 1 13 13 GLY N N 13 114.509 114.509 109.173 5.336 25933 5208 1 11 . 1 1 13 13 GLY C C 13 173.093 173.093 173.279 -0.186 25933 5209 1 11 . 1 1 13 13 GLY CA C 13 46.346 46.346 45.456 0.890 25933 5210 1 11 . 1 1 13 13 GLY H H 13 8.385 8.385 8.567 -0.182 25933 5211 1 11 . 1 1 14 14 ASP N N 14 122.123 122.123 119.380 2.743 25933 5212 1 11 . 1 1 14 14 ASP HA H 14 5.294 5.294 4.946 0.348 25933 5213 1 11 . 1 1 14 14 ASP C C 14 176.111 176.111 174.577 1.534 25933 5214 1 11 . 1 1 14 14 ASP CA C 14 53.304 53.304 53.658 -0.354 25933 5215 1 11 . 1 1 14 14 ASP CB C 14 43.175 43.175 44.690 -1.515 25933 5216 1 11 . 1 1 14 14 ASP H H 14 8.512 8.512 7.677 0.835 25933 5217 1 11 . 1 1 15 15 ALA N N 15 123.765 123.765 123.314 0.451 25933 5218 1 11 . 1 1 15 15 ALA HA H 15 4.679 4.679 4.594 0.085 25933 5219 1 11 . 1 1 15 15 ALA C C 15 177.375 177.375 176.723 0.652 25933 5220 1 11 . 1 1 15 15 ALA CA C 15 51.216 51.216 51.547 -0.331 25933 5221 1 11 . 1 1 15 15 ALA CB C 15 19.842 19.842 21.049 -1.207 25933 5222 1 11 . 1 1 15 15 ALA H H 15 8.538 8.538 8.397 0.141 25933 5223 1 11 . 1 1 16 16 GLY N N 16 108.898 108.898 109.168 -0.270 25933 5224 1 11 . 1 1 16 16 GLY C C 16 172.132 172.132 173.479 -1.347 25933 5225 1 11 . 1 1 16 16 GLY CA C 16 45.320 45.320 44.645 0.675 25933 5226 1 11 . 1 1 16 16 GLY H H 16 8.304 8.304 8.246 0.058 25933 5227 1 11 . 1 1 17 17 GLN N N 17 125.473 125.473 122.402 3.071 25933 5228 1 11 . 1 1 17 17 GLN HA H 17 4.359 4.359 4.060 0.299 25933 5229 1 11 . 1 1 17 17 GLN C C 17 175.263 175.263 173.989 1.274 25933 5230 1 11 . 1 1 17 17 GLN CA C 17 55.779 55.779 56.175 -0.397 25933 5231 1 11 . 1 1 17 17 GLN CB C 17 27.927 27.927 28.660 -0.733 25933 5232 1 11 . 1 1 17 17 GLN H H 17 8.887 8.887 8.428 0.459 25933 5233 1 11 . 1 1 18 18 LEU N N 18 127.246 127.246 123.022 4.224 25933 5234 1 11 . 1 1 18 18 LEU HA H 18 4.714 4.714 5.078 -0.364 25933 5235 1 11 . 1 1 18 18 LEU C C 18 177.078 177.078 175.959 1.119 25933 5236 1 11 . 1 1 18 18 LEU CA C 18 53.755 53.755 53.360 0.395 25933 5237 1 11 . 1 1 18 18 LEU CB C 18 44.191 44.191 44.041 0.150 25933 5238 1 11 . 1 1 18 18 LEU H H 18 8.322 8.322 8.148 0.174 25933 5239 1 11 . 1 1 19 19 VAL N N 19 121.280 121.280 123.337 -2.057 25933 5240 1 11 . 1 1 19 19 VAL HA H 19 4.547 4.547 4.401 0.146 25933 5241 1 11 . 1 1 19 19 VAL C C 19 175.238 175.238 174.382 0.856 25933 5242 1 11 . 1 1 19 19 VAL CA C 19 59.975 59.975 59.973 0.002 25933 5243 1 11 . 1 1 19 19 VAL CB C 19 33.809 33.809 33.996 -0.187 25933 5244 1 11 . 1 1 19 19 VAL H H 19 9.789 9.789 9.055 0.734 25933 5245 1 11 . 1 1 20 20 SER N N 20 118.562 118.562 122.979 -4.417 25933 5246 1 11 . 1 1 20 20 SER HA H 20 5.062 5.062 4.620 0.442 25933 5247 1 11 . 1 1 20 20 SER C C 20 174.439 174.439 174.276 0.163 25933 5248 1 11 . 1 1 20 20 SER CA C 20 57.132 57.132 57.605 -0.472 25933 5249 1 11 . 1 1 20 20 SER CB C 20 64.811 64.811 64.230 0.581 25933 5250 1 11 . 1 1 20 20 SER H H 20 8.638 8.638 8.480 0.158 25933 5251 1 11 . 1 1 21 21 CYS N N 21 125.432 125.432 124.026 1.406 25933 5252 1 11 . 1 1 21 21 CYS HA H 21 4.311 4.311 4.691 -0.380 25933 5253 1 11 . 1 1 21 21 CYS CA C 21 61.656 61.656 59.460 2.196 25933 5254 1 11 . 1 1 21 21 CYS CB C 21 31.029 31.029 28.283 2.746 25933 5255 1 11 . 1 1 21 21 CYS H H 21 8.132 8.132 8.650 -0.518 25933 5256 1 11 . 1 1 22 22 LYS N N 22 125.587 125.587 126.205 -0.618 25933 5257 1 11 . 1 1 22 22 LYS HA H 22 4.648 4.648 4.417 0.231 25933 5258 1 11 . 1 1 22 22 LYS C C 22 177.460 177.460 176.029 1.431 25933 5259 1 11 . 1 1 22 22 LYS H H 22 8.294 8.294 8.292 0.002 25933 5260 1 11 . 1 1 23 23 LYS N N 23 130.703 130.703 120.894 9.809 25933 5261 1 11 . 1 1 23 23 LYS HA H 23 4.385 4.385 4.699 -0.314 25933 5262 1 11 . 1 1 23 23 LYS CA C 23 55.222 55.222 53.002 2.220 25933 5263 1 11 . 1 1 23 23 LYS CB C 23 33.949 33.949 34.219 -0.270 25933 5264 1 11 . 1 1 23 23 LYS H H 23 9.496 9.496 7.673 1.823 25933 5265 1 11 . 1 1 24 24 PRO HA H 24 4.198 4.198 4.297 -0.099 25933 5266 1 11 . 1 1 24 24 PRO C C 24 177.835 177.835 177.566 0.269 25933 5267 1 11 . 1 1 24 24 PRO CA C 24 64.454 64.454 63.673 0.781 25933 5268 1 11 . 1 1 24 24 PRO CB C 24 31.420 31.420 31.911 -0.491 25933 5269 1 11 . 1 1 25 25 GLY N N 25 114.246 114.246 109.120 5.126 25933 5270 1 11 . 1 1 25 25 GLY C C 25 173.630 173.630 173.575 0.055 25933 5271 1 11 . 1 1 25 25 GLY CA C 25 45.200 45.200 44.747 0.453 25933 5272 1 11 . 1 1 25 25 GLY H H 25 8.823 8.823 8.790 0.033 25933 5273 1 11 . 1 1 26 26 CYS N N 26 126.002 126.002 120.863 5.139 25933 5274 1 11 . 1 1 26 26 CYS HA H 26 5.014 5.014 4.921 0.093 25933 5275 1 11 . 1 1 26 26 CYS CA C 26 56.747 56.747 55.961 0.786 25933 5276 1 11 . 1 1 26 26 CYS CB C 26 32.711 32.711 28.216 4.495 25933 5277 1 11 . 1 1 26 26 CYS H H 26 8.076 8.076 7.822 0.254 25933 5278 1 11 . 1 1 27 27 PRO HA H 27 4.802 4.802 4.564 0.238 25933 5279 1 11 . 1 1 27 27 PRO C C 27 175.970 175.970 175.139 0.831 25933 5280 1 11 . 1 1 27 27 PRO CA C 27 63.334 63.334 62.886 0.448 25933 5281 1 11 . 1 1 27 27 PRO CB C 27 32.920 32.920 31.782 1.138 25933 5282 1 11 . 1 1 28 28 LYS N N 28 121.413 121.413 119.781 1.632 25933 5283 1 11 . 1 1 28 28 LYS HA H 28 3.889 3.889 4.711 -0.822 25933 5284 1 11 . 1 1 28 28 LYS C C 28 175.961 175.961 174.931 1.030 25933 5285 1 11 . 1 1 28 28 LYS CA C 28 55.327 55.327 55.080 0.247 25933 5286 1 11 . 1 1 28 28 LYS CB C 28 32.132 32.132 34.789 -2.657 25933 5287 1 11 . 1 1 28 28 LYS H H 28 8.353 8.353 7.434 0.919 25933 5288 1 11 . 1 1 29 29 VAL N N 29 115.183 115.183 119.665 -4.482 25933 5289 1 11 . 1 1 29 29 VAL HA H 29 5.286 5.286 4.402 0.883 25933 5290 1 11 . 1 1 29 29 VAL C C 29 174.480 174.480 173.299 1.181 25933 5291 1 11 . 1 1 29 29 VAL CA C 29 58.616 58.616 60.079 -1.463 25933 5292 1 11 . 1 1 29 29 VAL CB C 29 35.526 35.526 35.551 -0.025 25933 5293 1 11 . 1 1 29 29 VAL H H 29 8.346 8.346 8.098 0.248 25933 5294 1 11 . 1 1 30 30 TYR N N 30 114.639 114.639 120.846 -6.207 25933 5295 1 11 . 1 1 30 30 TYR HA H 30 5.821 5.821 4.757 1.064 25933 5296 1 11 . 1 1 30 30 TYR C C 30 177.221 177.221 174.448 2.773 25933 5297 1 11 . 1 1 30 30 TYR CA C 30 56.989 56.989 55.949 1.040 25933 5298 1 11 . 1 1 30 30 TYR CB C 30 45.110 45.110 42.142 2.968 25933 5299 1 11 . 1 1 30 30 TYR H H 30 8.792 8.792 8.549 0.243 25933 5300 1 11 . 1 1 31 31 HIS N N 31 121.470 121.470 118.956 2.514 25933 5301 1 11 . 1 1 31 31 HIS HA H 31 4.890 4.890 5.022 -0.132 25933 5302 1 11 . 1 1 31 31 HIS C C 31 177.595 177.595 176.224 1.371 25933 5303 1 11 . 1 1 31 31 HIS CA C 31 58.141 58.141 55.462 2.679 25933 5304 1 11 . 1 1 31 31 HIS CB C 31 30.737 30.737 30.832 -0.095 25933 5305 1 11 . 1 1 31 31 HIS H H 31 9.164 9.164 8.284 0.880 25933 5306 1 11 . 1 1 32 32 ALA N N 32 129.786 129.786 127.351 2.435 25933 5307 1 11 . 1 1 32 32 ALA HA H 32 3.829 3.829 3.889 -0.060 25933 5308 1 11 . 1 1 32 32 ALA C C 32 180.494 180.494 178.241 2.253 25933 5309 1 11 . 1 1 32 32 ALA CA C 32 56.044 56.044 55.438 0.605 25933 5310 1 11 . 1 1 32 32 ALA CB C 32 17.179 17.179 18.823 -1.644 25933 5311 1 11 . 1 1 32 32 ALA H H 32 9.768 9.768 8.916 0.852 25933 5312 1 11 . 1 1 33 33 ASP N N 33 114.332 114.332 117.848 -3.516 25933 5313 1 11 . 1 1 33 33 ASP HA H 33 4.521 4.521 4.363 0.158 25933 5314 1 11 . 1 1 33 33 ASP C C 33 179.006 179.006 178.570 0.436 25933 5315 1 11 . 1 1 33 33 ASP CA C 33 56.541 56.541 57.642 -1.101 25933 5316 1 11 . 1 1 33 33 ASP CB C 33 40.316 40.316 40.818 -0.502 25933 5317 1 11 . 1 1 33 33 ASP H H 33 8.832 8.832 8.540 0.292 25933 5318 1 11 . 1 1 34 34 CYS N N 34 119.035 119.035 115.573 3.462 25933 5319 1 11 . 1 1 34 34 CYS HA H 34 4.224 4.224 4.516 -0.292 25933 5320 1 11 . 1 1 34 34 CYS C C 34 175.978 175.978 176.383 -0.405 25933 5321 1 11 . 1 1 34 34 CYS CA C 34 63.491 63.491 59.218 4.273 25933 5322 1 11 . 1 1 34 34 CYS CB C 34 28.925 28.925 26.647 2.278 25933 5323 1 11 . 1 1 34 34 CYS H H 34 7.364 7.364 8.473 -1.109 25933 5324 1 11 . 1 1 35 35 LEU N N 35 118.363 118.363 120.228 -1.865 25933 5325 1 11 . 1 1 35 35 LEU HA H 35 4.404 4.404 4.411 -0.007 25933 5326 1 11 . 1 1 35 35 LEU C C 35 176.327 176.327 176.245 0.082 25933 5327 1 11 . 1 1 35 35 LEU CA C 35 53.966 53.966 54.580 -0.614 25933 5328 1 11 . 1 1 35 35 LEU CB C 35 42.982 42.982 42.046 0.936 25933 5329 1 11 . 1 1 35 35 LEU H H 35 7.135 7.135 7.493 -0.358 25933 5330 1 11 . 1 1 36 36 ASN N N 36 116.501 116.501 115.193 1.308 25933 5331 1 11 . 1 1 36 36 ASN HA H 36 4.461 4.461 4.449 0.012 25933 5332 1 11 . 1 1 36 36 ASN C C 36 175.075 175.075 175.003 0.072 25933 5333 1 11 . 1 1 36 36 ASN CA C 36 54.055 54.055 53.807 0.248 25933 5334 1 11 . 1 1 36 36 ASN CB C 36 37.552 37.552 37.108 0.443 25933 5335 1 11 . 1 1 36 36 ASN H H 36 7.974 7.974 7.959 0.015 25933 5336 1 11 . 1 1 37 37 LEU N N 37 119.139 119.139 120.365 -1.226 25933 5337 1 11 . 1 1 37 37 LEU HA H 37 4.472 4.472 4.441 0.031 25933 5338 1 11 . 1 1 37 37 LEU C C 37 178.114 178.114 177.082 1.032 25933 5339 1 11 . 1 1 37 37 LEU CA C 37 54.421 54.421 54.581 -0.160 25933 5340 1 11 . 1 1 37 37 LEU CB C 37 42.937 42.937 39.793 3.144 25933 5341 1 11 . 1 1 37 37 LEU H H 37 7.953 7.953 8.475 -0.522 25933 5342 1 11 . 1 1 38 38 THR N N 38 113.698 113.698 116.208 -2.510 25933 5343 1 11 . 1 1 38 38 THR HA H 38 4.224 4.224 4.145 0.079 25933 5344 1 11 . 1 1 38 38 THR C C 38 174.325 174.325 175.009 -0.684 25933 5345 1 11 . 1 1 38 38 THR CA C 38 62.608 62.608 64.865 -2.257 25933 5346 1 11 . 1 1 38 38 THR CB C 38 69.163 69.163 69.012 0.151 25933 5347 1 11 . 1 1 38 38 THR H H 38 8.465 8.465 7.767 0.698 25933 5348 1 11 . 1 1 39 39 LYS N N 39 120.070 120.070 123.045 -2.975 25933 5349 1 11 . 1 1 39 39 LYS HA H 39 4.383 4.383 4.321 0.062 25933 5350 1 11 . 1 1 39 39 LYS C C 39 175.570 175.570 175.592 -0.022 25933 5351 1 11 . 1 1 39 39 LYS CA C 39 54.864 54.864 55.456 -0.592 25933 5352 1 11 . 1 1 39 39 LYS CB C 39 34.079 34.079 32.962 1.117 25933 5353 1 11 . 1 1 39 39 LYS H H 39 7.595 7.595 8.033 -0.438 25933 5354 1 11 . 1 1 40 40 ARG N N 40 123.383 123.383 127.072 -3.689 25933 5355 1 11 . 1 1 40 40 ARG HA H 40 4.163 4.163 4.296 -0.133 25933 5356 1 11 . 1 1 40 40 ARG CA C 40 54.474 54.474 54.973 -0.499 25933 5357 1 11 . 1 1 40 40 ARG CB C 40 29.745 29.745 30.043 -0.298 25933 5358 1 11 . 1 1 40 40 ARG H H 40 8.372 8.372 8.405 -0.033 25933 5359 1 11 . 1 1 41 41 PRO HA H 41 4.081 4.081 4.450 -0.369 25933 5360 1 11 . 1 1 41 41 PRO C C 41 176.215 176.215 175.460 0.755 25933 5361 1 11 . 1 1 41 41 PRO CA C 41 63.151 63.151 62.931 0.220 25933 5362 1 11 . 1 1 41 41 PRO CB C 41 32.154 32.154 32.553 -0.399 25933 5363 1 11 . 1 1 42 42 ALA N N 42 126.233 126.233 125.763 0.470 25933 5364 1 11 . 1 1 42 42 ALA HA H 42 4.447 4.447 4.527 -0.080 25933 5365 1 11 . 1 1 42 42 ALA C C 42 177.947 177.947 177.253 0.694 25933 5366 1 11 . 1 1 42 42 ALA CA C 42 51.741 51.741 51.581 0.160 25933 5367 1 11 . 1 1 42 42 ALA CB C 42 20.295 20.295 20.260 0.035 25933 5368 1 11 . 1 1 42 42 ALA H H 42 8.368 8.368 8.272 0.096 25933 5369 1 11 . 1 1 43 43 GLY N N 43 108.071 108.071 113.032 -4.961 25933 5370 1 11 . 1 1 43 43 GLY C C 43 174.630 174.630 174.010 0.620 25933 5371 1 11 . 1 1 43 43 GLY CA C 43 45.871 45.871 44.986 0.885 25933 5372 1 11 . 1 1 43 43 GLY H H 43 8.499 8.499 8.526 -0.027 25933 5373 1 11 . 1 1 44 44 LYS N N 44 123.859 123.859 124.020 -0.161 25933 5374 1 11 . 1 1 44 44 LYS HA H 44 4.325 4.325 4.571 -0.246 25933 5375 1 11 . 1 1 44 44 LYS CA C 44 56.012 56.012 55.614 0.399 25933 5376 1 11 . 1 1 44 44 LYS CB C 44 31.307 31.307 33.151 -1.844 25933 5377 1 11 . 1 1 44 44 LYS H H 44 8.485 8.485 8.429 0.056 25933 5378 1 11 . 1 1 45 45 TRP N N 45 124.364 124.364 127.013 -2.649 25933 5379 1 11 . 1 1 45 45 TRP HA H 45 4.317 4.317 4.821 -0.504 25933 5380 1 11 . 1 1 45 45 TRP CA C 45 58.972 58.972 56.780 2.192 25933 5381 1 11 . 1 1 45 45 TRP CB C 45 29.468 29.468 31.323 -1.855 25933 5382 1 11 . 1 1 45 45 TRP H H 45 7.419 7.419 8.820 -1.401 25933 5383 1 11 . 1 1 46 46 GLU N N 46 124.890 124.890 125.377 -0.487 25933 5384 1 11 . 1 1 46 46 GLU HA H 46 4.623 4.623 4.343 0.280 25933 5385 1 11 . 1 1 46 46 GLU CA C 46 53.864 53.864 53.824 0.040 25933 5386 1 11 . 1 1 46 46 GLU H H 46 7.623 7.623 7.827 -0.204 25933 5387 1 11 . 1 1 47 47 CYS N N 47 130.384 130.384 121.010 9.374 25933 5388 1 11 . 1 1 47 47 CYS HA H 47 4.623 4.623 3.876 0.747 25933 5389 1 11 . 1 1 47 47 CYS H H 47 9.574 9.574 7.879 1.695 25933 5390 1 11 . 1 1 48 48 PRO HA H 48 4.704 4.704 4.253 0.451 25933 5391 1 11 . 1 1 48 48 PRO C C 48 177.973 177.973 177.742 0.231 25933 5392 1 11 . 1 1 48 48 PRO CA C 48 64.380 64.380 64.411 -0.031 25933 5393 1 11 . 1 1 48 48 PRO CB C 48 31.545 31.545 31.641 -0.096 25933 5394 1 11 . 1 1 49 49 TRP N N 49 124.314 124.314 119.386 4.928 25933 5395 1 11 . 1 1 49 49 TRP HA H 49 5.248 5.248 4.526 0.722 25933 5396 1 11 . 1 1 49 49 TRP C C 49 179.054 179.054 175.438 3.616 25933 5397 1 11 . 1 1 49 49 TRP CA C 49 56.304 56.304 57.344 -1.040 25933 5398 1 11 . 1 1 49 49 TRP CB C 49 31.375 31.375 28.229 3.146 25933 5399 1 11 . 1 1 49 49 TRP H H 49 8.504 8.504 7.892 0.612 25933 5400 1 11 . 1 1 50 50 HIS N N 50 110.531 110.531 113.390 -2.859 25933 5401 1 11 . 1 1 50 50 HIS HA H 50 4.479 4.479 4.808 -0.329 25933 5402 1 11 . 1 1 50 50 HIS C C 50 175.070 175.070 174.794 0.276 25933 5403 1 11 . 1 1 50 50 HIS CA C 50 56.068 56.068 55.156 0.912 25933 5404 1 11 . 1 1 50 50 HIS CB C 50 28.267 28.267 30.590 -2.323 25933 5405 1 11 . 1 1 50 50 HIS H H 50 7.178 7.178 7.596 -0.418 25933 5406 1 11 . 1 1 51 51 GLN N N 51 118.176 118.176 118.226 -0.050 25933 5407 1 11 . 1 1 51 51 GLN HA H 51 4.638 4.638 4.961 -0.323 25933 5408 1 11 . 1 1 51 51 GLN C C 51 172.785 172.785 174.725 -1.940 25933 5409 1 11 . 1 1 51 51 GLN CA C 51 54.266 54.266 53.487 0.779 25933 5410 1 11 . 1 1 51 51 GLN CB C 51 30.779 30.779 31.238 -0.459 25933 5411 1 11 . 1 1 51 51 GLN H H 51 7.243 7.243 7.637 -0.394 25933 5412 1 11 . 1 1 52 52 CYS N N 52 123.532 123.532 125.530 -1.998 25933 5413 1 11 . 1 1 52 52 CYS HA H 52 4.049 4.049 4.610 -0.561 25933 5414 1 11 . 1 1 52 52 CYS C C 52 177.807 177.807 176.107 1.700 25933 5415 1 11 . 1 1 52 52 CYS CA C 52 58.257 58.257 59.087 -0.830 25933 5416 1 11 . 1 1 52 52 CYS CB C 52 31.165 31.165 27.527 3.638 25933 5417 1 11 . 1 1 52 52 CYS H H 52 9.344 9.344 9.170 0.174 25933 5418 1 11 . 1 1 53 53 ASP N N 53 134.328 134.328 128.499 5.829 25933 5419 1 11 . 1 1 53 53 ASP HA H 53 4.190 4.190 4.477 -0.287 25933 5420 1 11 . 1 1 53 53 ASP C C 53 176.732 176.732 176.652 0.080 25933 5421 1 11 . 1 1 53 53 ASP CA C 53 57.384 57.384 56.360 1.024 25933 5422 1 11 . 1 1 53 53 ASP CB C 53 41.122 41.122 40.838 0.284 25933 5423 1 11 . 1 1 53 53 ASP H H 53 9.185 9.185 8.796 0.389 25933 5424 1 11 . 1 1 54 54 VAL N N 54 119.653 119.653 119.108 0.545 25933 5425 1 11 . 1 1 54 54 VAL HA H 54 3.877 3.877 3.970 -0.093 25933 5426 1 11 . 1 1 54 54 VAL C C 54 177.243 177.243 176.829 0.414 25933 5427 1 11 . 1 1 54 54 VAL CA C 54 65.092 65.092 64.488 0.604 25933 5428 1 11 . 1 1 54 54 VAL CB C 54 33.012 33.012 32.824 0.188 25933 5429 1 11 . 1 1 54 54 VAL H H 54 8.796 8.796 7.960 0.836 25933 5430 1 11 . 1 1 55 55 CYS N N 55 115.992 115.992 115.081 0.911 25933 5431 1 11 . 1 1 55 55 CYS HA H 55 5.112 5.112 4.989 0.123 25933 5432 1 11 . 1 1 55 55 CYS C C 55 176.818 176.818 176.162 0.656 25933 5433 1 11 . 1 1 55 55 CYS CA C 55 58.337 58.337 57.873 0.464 25933 5434 1 11 . 1 1 55 55 CYS CB C 55 34.324 34.324 30.179 4.145 25933 5435 1 11 . 1 1 55 55 CYS H H 55 7.604 7.604 8.171 -0.567 25933 5436 1 11 . 1 1 56 56 GLY N N 56 114.227 114.227 111.000 3.227 25933 5437 1 11 . 1 1 56 56 GLY C C 56 173.824 173.824 173.836 -0.012 25933 5438 1 11 . 1 1 56 56 GLY CA C 56 46.409 46.409 45.690 0.719 25933 5439 1 11 . 1 1 56 56 GLY H H 56 8.548 8.548 8.818 -0.270 25933 5440 1 11 . 1 1 57 57 LYS N N 57 122.126 122.126 119.884 2.242 25933 5441 1 11 . 1 1 57 57 LYS HA H 57 4.412 4.412 4.504 -0.092 25933 5442 1 11 . 1 1 57 57 LYS C C 57 175.055 175.055 175.635 -0.580 25933 5443 1 11 . 1 1 57 57 LYS CA C 57 56.717 56.717 54.949 1.768 25933 5444 1 11 . 1 1 57 57 LYS CB C 57 33.143 33.143 34.092 -0.949 25933 5445 1 11 . 1 1 57 57 LYS H H 57 8.314 8.314 7.370 0.945 25933 5446 1 11 . 1 1 58 58 GLU N N 58 120.782 120.782 120.072 0.710 25933 5447 1 11 . 1 1 58 58 GLU HA H 58 4.153 4.153 4.084 0.069 25933 5448 1 11 . 1 1 58 58 GLU C C 58 176.662 176.662 175.991 0.671 25933 5449 1 11 . 1 1 58 58 GLU CA C 58 57.913 57.913 57.716 0.197 25933 5450 1 11 . 1 1 58 58 GLU CB C 58 29.825 29.825 29.686 0.139 25933 5451 1 11 . 1 1 58 58 GLU H H 58 8.502 8.502 8.607 -0.105 25933 5452 1 11 . 1 1 59 59 ALA N N 59 127.052 127.052 128.048 -0.996 25933 5453 1 11 . 1 1 59 59 ALA HA H 59 3.402 3.402 4.340 -0.938 25933 5454 1 11 . 1 1 59 59 ALA C C 59 175.529 175.529 175.877 -0.348 25933 5455 1 11 . 1 1 59 59 ALA CA C 59 52.238 52.238 51.472 0.766 25933 5456 1 11 . 1 1 59 59 ALA CB C 59 19.006 19.006 20.052 -1.046 25933 5457 1 11 . 1 1 59 59 ALA H H 59 7.812 7.812 8.253 -0.441 25933 5458 1 11 . 1 1 60 60 ALA N N 60 122.703 122.703 125.382 -2.679 25933 5459 1 11 . 1 1 60 60 ALA HA H 60 4.473 4.473 4.415 0.058 25933 5460 1 11 . 1 1 60 60 ALA C C 60 176.087 176.087 176.599 -0.512 25933 5461 1 11 . 1 1 60 60 ALA CA C 60 51.930 51.930 52.131 -0.201 25933 5462 1 11 . 1 1 60 60 ALA CB C 60 23.146 23.146 20.898 2.248 25933 5463 1 11 . 1 1 60 60 ALA H H 60 8.356 8.356 8.678 -0.322 25933 5464 1 11 . 1 1 61 61 SER N N 61 114.279 114.279 113.864 0.415 25933 5465 1 11 . 1 1 61 61 SER HA H 61 4.637 4.637 4.202 0.435 25933 5466 1 11 . 1 1 61 61 SER C C 61 171.865 171.865 172.704 -0.839 25933 5467 1 11 . 1 1 61 61 SER CA C 61 58.060 58.060 56.576 1.484 25933 5468 1 11 . 1 1 61 61 SER CB C 61 66.719 66.719 65.194 1.525 25933 5469 1 11 . 1 1 61 61 SER H H 61 7.427 7.427 7.617 -0.190 25933 5470 1 11 . 1 1 62 62 PHE N N 62 123.075 123.075 119.025 4.050 25933 5471 1 11 . 1 1 62 62 PHE HA H 62 4.342 4.342 4.549 -0.207 25933 5472 1 11 . 1 1 62 62 PHE C C 62 174.547 174.547 175.641 -1.094 25933 5473 1 11 . 1 1 62 62 PHE CA C 62 57.701 57.701 55.958 1.743 25933 5474 1 11 . 1 1 62 62 PHE CB C 62 41.207 41.207 40.934 0.273 25933 5475 1 11 . 1 1 62 62 PHE H H 62 8.193 8.193 7.898 0.295 25933 5476 1 11 . 1 1 63 63 CYS N N 63 126.326 126.326 125.401 0.925 25933 5477 1 11 . 1 1 63 63 CYS HA H 63 4.297 4.297 4.644 -0.347 25933 5478 1 11 . 1 1 63 63 CYS C C 63 176.289 176.289 176.549 -0.260 25933 5479 1 11 . 1 1 63 63 CYS CA C 63 61.098 61.098 58.751 2.347 25933 5480 1 11 . 1 1 63 63 CYS CB C 63 29.621 29.621 27.814 1.807 25933 5481 1 11 . 1 1 63 63 CYS H H 63 9.106 9.106 8.931 0.175 25933 5482 1 11 . 1 1 64 64 GLU N N 64 124.601 124.601 129.558 -4.957 25933 5483 1 11 . 1 1 64 64 GLU HA H 64 4.887 4.887 4.701 0.186 25933 5484 1 11 . 1 1 64 64 GLU C C 64 177.682 177.682 176.695 0.987 25933 5485 1 11 . 1 1 64 64 GLU CA C 64 58.619 58.619 57.089 1.530 25933 5486 1 11 . 1 1 64 64 GLU CB C 64 30.567 30.567 29.591 0.976 25933 5487 1 11 . 1 1 64 64 GLU H H 64 8.911 8.911 9.085 -0.174 25933 5488 1 11 . 1 1 65 65 MET N N 65 121.669 121.669 115.950 5.719 25933 5489 1 11 . 1 1 65 65 MET HA H 65 4.536 4.536 4.688 -0.152 25933 5490 1 11 . 1 1 65 65 MET C C 65 173.906 173.906 175.483 -1.577 25933 5491 1 11 . 1 1 65 65 MET CA C 65 56.157 56.157 55.379 0.778 25933 5492 1 11 . 1 1 65 65 MET CB C 65 33.770 33.770 35.775 -2.005 25933 5493 1 11 . 1 1 65 65 MET H H 65 9.972 9.972 7.808 2.164 25933 5494 1 11 . 1 1 66 66 CYS N N 66 127.827 127.827 115.162 12.665 25933 5495 1 11 . 1 1 66 66 CYS HA H 66 3.424 3.424 4.702 -1.278 25933 5496 1 11 . 1 1 66 66 CYS CA C 66 57.581 57.581 57.086 0.495 25933 5497 1 11 . 1 1 66 66 CYS CB C 66 29.900 29.900 27.382 2.518 25933 5498 1 11 . 1 1 66 66 CYS H H 66 8.286 8.286 7.803 0.483 25933 5499 1 11 . 1 1 67 67 PRO HA H 67 4.660 4.660 4.233 0.427 25933 5500 1 11 . 1 1 67 67 PRO C C 67 176.387 176.387 175.684 0.703 25933 5501 1 11 . 1 1 67 67 PRO CA C 67 64.462 64.462 63.238 1.224 25933 5502 1 11 . 1 1 67 67 PRO CB C 67 31.018 31.018 30.699 0.319 25933 5503 1 11 . 1 1 68 68 SER N N 68 122.983 122.983 117.562 5.421 25933 5504 1 11 . 1 1 68 68 SER HA H 68 5.148 5.148 4.592 0.556 25933 5505 1 11 . 1 1 68 68 SER C C 68 173.421 173.421 173.378 0.043 25933 5506 1 11 . 1 1 68 68 SER CA C 68 59.799 59.799 57.961 1.838 25933 5507 1 11 . 1 1 68 68 SER CB C 68 64.047 64.047 64.673 -0.626 25933 5508 1 11 . 1 1 68 68 SER H H 68 8.864 8.864 7.733 1.131 25933 5509 1 11 . 1 1 69 69 SER N N 69 115.147 115.147 119.683 -4.536 25933 5510 1 11 . 1 1 69 69 SER HA H 69 4.443 4.443 4.853 -0.410 25933 5511 1 11 . 1 1 69 69 SER C C 69 171.436 171.436 172.367 -0.931 25933 5512 1 11 . 1 1 69 69 SER CA C 69 56.585 56.585 56.907 -0.322 25933 5513 1 11 . 1 1 69 69 SER CB C 69 63.959 63.959 66.309 -2.350 25933 5514 1 11 . 1 1 69 69 SER H H 69 7.874 7.874 8.362 -0.488 25933 5515 1 11 . 1 1 70 70 PHE N N 70 112.477 112.477 117.522 -5.045 25933 5516 1 11 . 1 1 70 70 PHE HA H 70 6.052 6.052 5.033 1.019 25933 5517 1 11 . 1 1 70 70 PHE C C 70 176.905 176.905 175.812 1.093 25933 5518 1 11 . 1 1 70 70 PHE CA C 70 57.026 57.026 56.719 0.307 25933 5519 1 11 . 1 1 70 70 PHE CB C 70 45.774 45.774 43.552 2.222 25933 5520 1 11 . 1 1 70 70 PHE H H 70 8.192 8.192 8.422 -0.230 25933 5521 1 11 . 1 1 71 71 CYS N N 71 121.843 121.843 119.431 2.412 25933 5522 1 11 . 1 1 71 71 CYS HA H 71 4.806 4.806 4.933 -0.127 25933 5523 1 11 . 1 1 71 71 CYS C C 71 174.332 174.332 175.938 -1.606 25933 5524 1 11 . 1 1 71 71 CYS CA C 71 58.618 58.618 56.801 1.817 25933 5525 1 11 . 1 1 71 71 CYS CB C 71 30.249 30.249 30.277 -0.028 25933 5526 1 11 . 1 1 71 71 CYS H H 71 9.511 9.511 8.722 0.789 25933 5527 1 11 . 1 1 72 72 LYS N N 72 118.091 118.091 119.626 -1.535 25933 5528 1 11 . 1 1 72 72 LYS HA H 72 3.679 3.679 3.834 -0.155 25933 5529 1 11 . 1 1 72 72 LYS C C 72 177.831 177.831 179.036 -1.205 25933 5530 1 11 . 1 1 72 72 LYS CA C 72 60.445 60.445 59.943 0.502 25933 5531 1 11 . 1 1 72 72 LYS CB C 72 32.277 32.277 32.152 0.125 25933 5532 1 11 . 1 1 72 72 LYS H H 72 8.804 8.804 8.682 0.122 25933 5533 1 11 . 1 1 73 73 GLN N N 73 118.381 118.381 117.323 1.058 25933 5534 1 11 . 1 1 73 73 GLN HA H 73 4.078 4.078 4.057 0.021 25933 5535 1 11 . 1 1 73 73 GLN C C 73 177.491 177.491 177.325 0.166 25933 5536 1 11 . 1 1 73 73 GLN CA C 73 57.894 57.894 57.978 -0.084 25933 5537 1 11 . 1 1 73 73 GLN CB C 73 28.754 28.754 28.725 0.029 25933 5538 1 11 . 1 1 73 73 GLN H H 73 8.139 8.139 7.730 0.409 25933 5539 1 11 . 1 1 74 74 HIS N N 74 117.140 117.140 115.352 1.788 25933 5540 1 11 . 1 1 74 74 HIS HA H 74 5.015 5.015 4.664 0.351 25933 5541 1 11 . 1 1 74 74 HIS C C 74 174.206 174.206 175.865 -1.659 25933 5542 1 11 . 1 1 74 74 HIS CA C 74 57.692 57.692 56.398 1.294 25933 5543 1 11 . 1 1 74 74 HIS CB C 74 32.739 32.739 30.329 2.410 25933 5544 1 11 . 1 1 74 74 HIS H H 74 7.628 7.628 7.501 0.127 25933 5545 1 11 . 1 1 75 75 ARG N N 75 115.977 115.977 119.388 -3.411 25933 5546 1 11 . 1 1 75 75 ARG HA H 75 3.699 3.699 4.224 -0.525 25933 5547 1 11 . 1 1 75 75 ARG C C 75 176.493 176.493 175.571 0.922 25933 5548 1 11 . 1 1 75 75 ARG CA C 75 57.925 57.925 57.492 0.433 25933 5549 1 11 . 1 1 75 75 ARG CB C 75 30.179 30.179 30.714 -0.535 25933 5550 1 11 . 1 1 75 75 ARG H H 75 7.415 7.415 7.902 -0.487 25933 5551 1 11 . 1 1 76 76 GLU N N 76 123.649 123.649 121.129 2.520 25933 5552 1 11 . 1 1 76 76 GLU HA H 76 3.955 3.955 4.090 -0.135 25933 5553 1 11 . 1 1 76 76 GLU C C 76 177.401 177.401 177.256 0.145 25933 5554 1 11 . 1 1 76 76 GLU CA C 76 58.208 58.208 57.580 0.628 25933 5555 1 11 . 1 1 76 76 GLU CB C 76 28.668 28.668 29.176 -0.508 25933 5556 1 11 . 1 1 76 76 GLU H H 76 8.094 8.094 7.722 0.372 25933 5557 1 11 . 1 1 77 77 GLY N N 77 114.787 114.787 114.104 0.683 25933 5558 1 11 . 1 1 77 77 GLY C C 77 174.193 174.193 174.783 -0.590 25933 5559 1 11 . 1 1 77 77 GLY CA C 77 45.502 45.502 46.320 -0.818 25933 5560 1 11 . 1 1 77 77 GLY H H 77 8.831 8.831 9.082 -0.251 25933 5561 1 11 . 1 1 78 78 MET N N 78 115.494 115.494 118.149 -2.655 25933 5562 1 11 . 1 1 78 78 MET HA H 78 4.608 4.608 4.536 0.072 25933 5563 1 11 . 1 1 78 78 MET C C 78 175.808 175.808 175.274 0.534 25933 5564 1 11 . 1 1 78 78 MET CA C 78 53.865 53.865 55.333 -1.468 25933 5565 1 11 . 1 1 78 78 MET CB C 78 33.146 33.146 34.089 -0.943 25933 5566 1 11 . 1 1 78 78 MET H H 78 7.320 7.320 7.477 -0.157 25933 5567 1 11 . 1 1 79 79 LEU N N 79 116.112 116.112 120.046 -3.934 25933 5568 1 11 . 1 1 79 79 LEU HA H 79 5.083 5.083 4.799 0.284 25933 5569 1 11 . 1 1 79 79 LEU C C 79 175.580 175.580 174.718 0.862 25933 5570 1 11 . 1 1 79 79 LEU CA C 79 52.710 52.710 53.900 -1.190 25933 5571 1 11 . 1 1 79 79 LEU CB C 79 46.268 46.268 45.134 1.134 25933 5572 1 11 . 1 1 79 79 LEU H H 79 6.783 6.783 7.808 -1.025 25933 5573 1 11 . 1 1 80 80 PHE N N 80 121.484 121.484 121.169 0.315 25933 5574 1 11 . 1 1 80 80 PHE HA H 80 4.773 4.773 4.936 -0.163 25933 5575 1 11 . 1 1 80 80 PHE C C 80 174.354 174.354 173.547 0.807 25933 5576 1 11 . 1 1 80 80 PHE CA C 80 56.225 56.225 55.671 0.554 25933 5577 1 11 . 1 1 80 80 PHE CB C 80 42.377 42.377 41.251 1.126 25933 5578 1 11 . 1 1 80 80 PHE H H 80 9.296 9.296 8.530 0.766 25933 5579 1 11 . 1 1 81 81 ILE N N 81 123.854 123.854 120.963 2.891 25933 5580 1 11 . 1 1 81 81 ILE HA H 81 4.088 4.088 4.483 -0.395 25933 5581 1 11 . 1 1 81 81 ILE C C 81 176.829 176.829 176.455 0.374 25933 5582 1 11 . 1 1 81 81 ILE CA C 81 60.636 60.636 60.337 0.299 25933 5583 1 11 . 1 1 81 81 ILE CB C 81 37.486 37.486 37.389 0.097 25933 5584 1 11 . 1 1 81 81 ILE H H 81 8.798 8.798 8.453 0.345 25933 5585 1 11 . 1 1 82 82 SER N N 82 124.730 124.730 122.742 1.988 25933 5586 1 11 . 1 1 82 82 SER HA H 82 4.530 4.530 4.541 -0.011 25933 5587 1 11 . 1 1 82 82 SER C C 82 177.460 177.460 175.491 1.969 25933 5588 1 11 . 1 1 82 82 SER CA C 82 58.180 58.180 58.657 -0.477 25933 5589 1 11 . 1 1 82 82 SER CB C 82 64.054 64.054 64.147 -0.092 25933 5590 1 11 . 1 1 82 82 SER H H 82 8.898 8.898 9.056 -0.158 25933 5591 1 11 . 1 1 83 83 LYS N N 83 129.518 129.518 127.371 2.147 25933 5592 1 11 . 1 1 83 83 LYS HA H 83 4.198 4.198 4.218 -0.020 25933 5593 1 11 . 1 1 83 83 LYS C C 83 177.173 177.173 177.222 -0.049 25933 5594 1 11 . 1 1 83 83 LYS CA C 83 57.848 57.848 58.705 -0.857 25933 5595 1 11 . 1 1 83 83 LYS CB C 83 32.376 32.376 32.561 -0.185 25933 5596 1 11 . 1 1 83 83 LYS H H 83 9.269 9.269 8.838 0.431 25933 5597 1 11 . 1 1 84 84 LEU N N 84 120.539 120.539 119.962 0.577 25933 5598 1 11 . 1 1 84 84 LEU HA H 84 4.284 4.284 4.252 0.032 25933 5599 1 11 . 1 1 84 84 LEU C C 84 178.443 178.443 178.567 -0.124 25933 5600 1 11 . 1 1 84 84 LEU CA C 84 56.827 56.827 57.010 -0.183 25933 5601 1 11 . 1 1 84 84 LEU CB C 84 41.901 41.901 42.624 -0.723 25933 5602 1 11 . 1 1 84 84 LEU H H 84 8.364 8.364 7.765 0.599 25933 5603 1 11 . 1 1 85 85 ASP N N 85 114.333 114.333 115.066 -0.733 25933 5604 1 11 . 1 1 85 85 ASP HA H 85 4.737 4.737 4.793 -0.056 25933 5605 1 11 . 1 1 85 85 ASP C C 85 177.413 177.413 177.346 0.067 25933 5606 1 11 . 1 1 85 85 ASP CA C 85 53.056 53.056 54.482 -1.426 25933 5607 1 11 . 1 1 85 85 ASP CB C 85 42.065 42.065 42.616 -0.551 25933 5608 1 11 . 1 1 85 85 ASP H H 85 7.326 7.326 8.316 -0.990 25933 5609 1 11 . 1 1 86 86 GLY N N 86 108.607 108.607 108.629 -0.022 25933 5610 1 11 . 1 1 86 86 GLY C C 86 174.036 174.036 173.961 0.075 25933 5611 1 11 . 1 1 86 86 GLY CA C 86 46.037 46.037 45.591 0.446 25933 5612 1 11 . 1 1 86 86 GLY H H 86 7.901 7.901 7.763 0.138 25933 5613 1 11 . 1 1 87 87 ARG N N 87 120.598 120.598 119.560 1.038 25933 5614 1 11 . 1 1 87 87 ARG HA H 87 4.345 4.345 4.455 -0.110 25933 5615 1 11 . 1 1 87 87 ARG C C 87 175.968 175.968 176.638 -0.670 25933 5616 1 11 . 1 1 87 87 ARG CA C 87 56.810 56.810 55.858 0.952 25933 5617 1 11 . 1 1 87 87 ARG CB C 87 31.934 31.934 31.137 0.797 25933 5618 1 11 . 1 1 87 87 ARG H H 87 7.948 7.948 7.733 0.215 25933 5619 1 11 . 1 1 88 88 LEU N N 88 126.752 126.752 124.864 1.888 25933 5620 1 11 . 1 1 88 88 LEU HA H 88 4.576 4.576 4.488 0.088 25933 5621 1 11 . 1 1 88 88 LEU C C 88 176.060 176.060 175.986 0.074 25933 5622 1 11 . 1 1 88 88 LEU CA C 88 55.558 55.558 55.663 -0.105 25933 5623 1 11 . 1 1 88 88 LEU CB C 88 42.815 42.815 41.294 1.521 25933 5624 1 11 . 1 1 88 88 LEU H H 88 8.968 8.968 9.484 -0.516 25933 5625 1 11 . 1 1 89 89 SER N N 89 118.859 118.859 119.889 -1.030 25933 5626 1 11 . 1 1 89 89 SER HA H 89 6.146 6.146 5.148 0.998 25933 5627 1 11 . 1 1 89 89 SER C C 89 174.338 174.338 173.508 0.830 25933 5628 1 11 . 1 1 89 89 SER CA C 89 56.311 56.311 56.315 -0.004 25933 5629 1 11 . 1 1 89 89 SER CB C 89 67.072 67.072 65.645 1.427 25933 5630 1 11 . 1 1 89 89 SER H H 89 9.083 9.083 8.962 0.121 25933 5631 1 11 . 1 1 90 90 CYS N N 90 128.907 128.907 124.225 4.682 25933 5632 1 11 . 1 1 90 90 CYS HA H 90 5.815 5.815 5.520 0.295 25933 5633 1 11 . 1 1 90 90 CYS C C 90 176.386 176.386 177.034 -0.648 25933 5634 1 11 . 1 1 90 90 CYS CA C 90 58.908 58.908 56.030 2.878 25933 5635 1 11 . 1 1 90 90 CYS CB C 90 29.444 29.444 30.737 -1.293 25933 5636 1 11 . 1 1 90 90 CYS H H 90 10.389 10.389 8.262 2.127 25933 5637 1 11 . 1 1 91 91 THR N N 91 108.692 108.692 112.171 -3.479 25933 5638 1 11 . 1 1 91 91 THR HA H 91 4.398 4.398 4.572 -0.174 25933 5639 1 11 . 1 1 91 91 THR C C 91 175.912 175.912 174.901 1.011 25933 5640 1 11 . 1 1 91 91 THR CA C 91 63.576 63.576 63.404 0.172 25933 5641 1 11 . 1 1 91 91 THR CB C 91 69.172 69.172 68.115 1.057 25933 5642 1 11 . 1 1 91 91 THR H H 91 8.435 8.435 8.387 0.048 25933 5643 1 11 . 1 1 92 92 GLU N N 92 123.418 123.418 119.756 3.662 25933 5644 1 11 . 1 1 92 92 GLU HA H 92 4.280 4.280 4.393 -0.113 25933 5645 1 11 . 1 1 92 92 GLU C C 92 175.937 175.937 176.367 -0.430 25933 5646 1 11 . 1 1 92 92 GLU CA C 92 56.582 56.582 56.272 0.310 25933 5647 1 11 . 1 1 92 92 GLU CB C 92 28.887 28.887 29.557 -0.670 25933 5648 1 11 . 1 1 92 92 GLU H H 92 8.626 8.626 7.508 1.118 25933 5649 1 11 . 1 1 93 93 HIS N N 93 117.178 117.178 117.322 -0.144 25933 5650 1 11 . 1 1 93 93 HIS HA H 93 4.789 4.789 4.868 -0.079 25933 5651 1 11 . 1 1 93 93 HIS C C 93 174.016 174.016 173.810 0.206 25933 5652 1 11 . 1 1 93 93 HIS CA C 93 54.275 54.275 54.866 -0.591 25933 5653 1 11 . 1 1 93 93 HIS CB C 93 29.373 29.373 29.419 -0.046 25933 5654 1 11 . 1 1 93 93 HIS H H 93 7.244 7.244 7.593 -0.349 25933 5655 1 12 . 1 1 2 2 ALA N N 2 124.503 124.503 123.881 0.622 25933 5656 1 12 . 1 1 2 2 ALA HA H 2 4.337 4.337 4.486 -0.149 25933 5657 1 12 . 1 1 2 2 ALA C C 2 177.688 177.688 178.259 -0.571 25933 5658 1 12 . 1 1 2 2 ALA CA C 2 52.598 52.598 53.040 -0.442 25933 5659 1 12 . 1 1 2 2 ALA CB C 2 19.375 19.375 19.057 0.318 25933 5660 1 12 . 1 1 2 2 ALA H H 2 8.639 8.639 8.192 0.447 25933 5661 1 12 . 1 1 3 3 MET N N 3 120.183 120.183 119.704 0.479 25933 5662 1 12 . 1 1 3 3 MET HA H 3 4.402 4.402 4.618 -0.216 25933 5663 1 12 . 1 1 3 3 MET C C 3 176.072 176.072 174.995 1.077 25933 5664 1 12 . 1 1 3 3 MET CA C 3 55.636 55.636 53.418 2.218 25933 5665 1 12 . 1 1 3 3 MET CB C 3 32.936 32.936 30.281 2.655 25933 5666 1 12 . 1 1 3 3 MET H H 3 8.483 8.483 7.980 0.503 25933 5667 1 12 . 1 1 4 4 GLU N N 4 123.573 123.573 122.152 1.421 25933 5668 1 12 . 1 1 4 4 GLU HA H 4 4.255 4.255 4.261 -0.006 25933 5669 1 12 . 1 1 4 4 GLU C C 4 175.719 175.719 175.917 -0.198 25933 5670 1 12 . 1 1 4 4 GLU CA C 4 56.516 56.516 56.428 0.087 25933 5671 1 12 . 1 1 4 4 GLU CB C 4 30.209 30.209 30.106 0.103 25933 5672 1 12 . 1 1 4 4 GLU H H 4 8.417 8.417 8.223 0.194 25933 5673 1 12 . 1 1 5 5 ARG N N 5 121.879 121.879 124.479 -2.600 25933 5674 1 12 . 1 1 5 5 ARG HA H 5 4.327 4.327 4.546 -0.219 25933 5675 1 12 . 1 1 5 5 ARG C C 5 175.991 175.991 175.111 0.880 25933 5676 1 12 . 1 1 5 5 ARG CA C 5 55.879 55.879 55.258 0.622 25933 5677 1 12 . 1 1 5 5 ARG CB C 5 31.336 31.336 32.307 -0.971 25933 5678 1 12 . 1 1 5 5 ARG H H 5 8.099 8.099 8.484 -0.385 25933 5679 1 12 . 1 1 6 6 GLU N N 6 124.508 124.508 125.422 -0.914 25933 5680 1 12 . 1 1 6 6 GLU HA H 6 4.245 4.245 4.119 0.126 25933 5681 1 12 . 1 1 6 6 GLU C C 6 174.941 174.941 175.418 -0.477 25933 5682 1 12 . 1 1 6 6 GLU CA C 6 56.775 56.775 56.835 -0.060 25933 5683 1 12 . 1 1 6 6 GLU CB C 6 30.421 30.421 30.390 0.031 25933 5684 1 12 . 1 1 6 6 GLU H H 6 8.560 8.560 8.510 0.050 25933 5685 1 12 . 1 1 7 7 ASP N N 7 117.067 117.067 121.380 -4.313 25933 5686 1 12 . 1 1 7 7 ASP HA H 7 4.520 4.520 4.688 -0.168 25933 5687 1 12 . 1 1 7 7 ASP C C 7 174.744 174.744 174.503 0.241 25933 5688 1 12 . 1 1 7 7 ASP CA C 7 53.697 53.697 54.229 -0.532 25933 5689 1 12 . 1 1 7 7 ASP CB C 7 42.222 42.222 40.837 1.385 25933 5690 1 12 . 1 1 7 7 ASP H H 7 8.237 8.237 8.580 -0.343 25933 5691 1 12 . 1 1 8 8 GLU N N 8 116.268 116.268 118.698 -2.430 25933 5692 1 12 . 1 1 8 8 GLU HA H 8 4.083 4.083 4.382 -0.299 25933 5693 1 12 . 1 1 8 8 GLU C C 8 173.257 173.257 174.042 -0.785 25933 5694 1 12 . 1 1 8 8 GLU CA C 8 54.382 54.382 55.205 -0.823 25933 5695 1 12 . 1 1 8 8 GLU CB C 8 32.438 32.438 32.655 -0.217 25933 5696 1 12 . 1 1 8 8 GLU H H 8 7.005 7.005 7.336 -0.331 25933 5697 1 12 . 1 1 9 9 CYS N N 9 124.211 124.211 124.489 -0.278 25933 5698 1 12 . 1 1 9 9 CYS HA H 9 4.157 4.157 4.675 -0.518 25933 5699 1 12 . 1 1 9 9 CYS C C 9 178.384 178.384 175.888 2.496 25933 5700 1 12 . 1 1 9 9 CYS CA C 9 57.640 57.640 57.896 -0.256 25933 5701 1 12 . 1 1 9 9 CYS CB C 9 31.396 31.396 26.262 5.134 25933 5702 1 12 . 1 1 9 9 CYS H H 9 8.220 8.220 8.701 -0.481 25933 5703 1 12 . 1 1 10 10 PHE N N 10 131.759 131.759 128.584 3.175 25933 5704 1 12 . 1 1 10 10 PHE HA H 10 4.695 4.695 4.165 0.530 25933 5705 1 12 . 1 1 10 10 PHE C C 10 176.194 176.194 175.732 0.462 25933 5706 1 12 . 1 1 10 10 PHE CA C 10 55.935 55.935 60.667 -4.732 25933 5707 1 12 . 1 1 10 10 PHE CB C 10 38.279 38.279 39.478 -1.199 25933 5708 1 12 . 1 1 10 10 PHE H H 10 8.765 8.765 8.099 0.666 25933 5709 1 12 . 1 1 11 11 SER N N 11 114.027 114.027 114.145 -0.118 25933 5710 1 12 . 1 1 11 11 SER HA H 11 4.331 4.331 4.226 0.105 25933 5711 1 12 . 1 1 11 11 SER C C 11 175.836 175.836 174.859 0.977 25933 5712 1 12 . 1 1 11 11 SER CA C 11 61.956 61.956 60.505 1.451 25933 5713 1 12 . 1 1 11 11 SER CB C 11 63.774 63.774 63.525 0.249 25933 5714 1 12 . 1 1 11 11 SER H H 11 8.686 8.686 8.219 0.467 25933 5715 1 12 . 1 1 12 12 CYS N N 12 118.224 118.224 117.180 1.044 25933 5716 1 12 . 1 1 12 12 CYS HA H 12 5.121 5.121 4.795 0.326 25933 5717 1 12 . 1 1 12 12 CYS C C 12 176.817 176.817 175.562 1.255 25933 5718 1 12 . 1 1 12 12 CYS CA C 12 58.693 58.693 59.029 -0.336 25933 5719 1 12 . 1 1 12 12 CYS CB C 12 32.837 32.837 31.027 1.810 25933 5720 1 12 . 1 1 12 12 CYS H H 12 8.195 8.195 7.453 0.742 25933 5721 1 12 . 1 1 13 13 GLY N N 13 114.509 114.509 109.192 5.317 25933 5722 1 12 . 1 1 13 13 GLY C C 13 173.093 173.093 173.492 -0.399 25933 5723 1 12 . 1 1 13 13 GLY CA C 13 46.346 46.346 45.273 1.073 25933 5724 1 12 . 1 1 13 13 GLY H H 13 8.385 8.385 8.658 -0.273 25933 5725 1 12 . 1 1 14 14 ASP N N 14 122.123 122.123 120.838 1.285 25933 5726 1 12 . 1 1 14 14 ASP HA H 14 5.294 5.294 4.939 0.355 25933 5727 1 12 . 1 1 14 14 ASP C C 14 176.111 176.111 174.636 1.475 25933 5728 1 12 . 1 1 14 14 ASP CA C 14 53.304 53.304 53.774 -0.470 25933 5729 1 12 . 1 1 14 14 ASP CB C 14 43.175 43.175 44.002 -0.827 25933 5730 1 12 . 1 1 14 14 ASP H H 14 8.512 8.512 7.766 0.746 25933 5731 1 12 . 1 1 15 15 ALA N N 15 123.765 123.765 123.427 0.338 25933 5732 1 12 . 1 1 15 15 ALA HA H 15 4.679 4.679 4.523 0.156 25933 5733 1 12 . 1 1 15 15 ALA C C 15 177.375 177.375 176.867 0.508 25933 5734 1 12 . 1 1 15 15 ALA CA C 15 51.216 51.216 51.852 -0.636 25933 5735 1 12 . 1 1 15 15 ALA CB C 15 19.842 19.842 21.064 -1.222 25933 5736 1 12 . 1 1 15 15 ALA H H 15 8.538 8.538 8.457 0.081 25933 5737 1 12 . 1 1 16 16 GLY N N 16 108.898 108.898 108.638 0.260 25933 5738 1 12 . 1 1 16 16 GLY C C 16 172.132 172.132 173.227 -1.095 25933 5739 1 12 . 1 1 16 16 GLY CA C 16 45.320 45.320 45.068 0.252 25933 5740 1 12 . 1 1 16 16 GLY H H 16 8.304 8.304 8.290 0.014 25933 5741 1 12 . 1 1 17 17 GLN N N 17 125.473 125.473 123.785 1.688 25933 5742 1 12 . 1 1 17 17 GLN HA H 17 4.359 4.359 4.444 -0.085 25933 5743 1 12 . 1 1 17 17 GLN C C 17 175.263 175.263 174.822 0.441 25933 5744 1 12 . 1 1 17 17 GLN CA C 17 55.779 55.779 55.614 0.165 25933 5745 1 12 . 1 1 17 17 GLN CB C 17 27.927 27.927 28.066 -0.139 25933 5746 1 12 . 1 1 17 17 GLN H H 17 8.887 8.887 8.495 0.392 25933 5747 1 12 . 1 1 18 18 LEU N N 18 127.246 127.246 125.834 1.412 25933 5748 1 12 . 1 1 18 18 LEU HA H 18 4.714 4.714 5.052 -0.338 25933 5749 1 12 . 1 1 18 18 LEU C C 18 177.078 177.078 175.409 1.669 25933 5750 1 12 . 1 1 18 18 LEU CA C 18 53.755 53.755 53.560 0.195 25933 5751 1 12 . 1 1 18 18 LEU CB C 18 44.191 44.191 44.145 0.046 25933 5752 1 12 . 1 1 18 18 LEU H H 18 8.322 8.322 8.034 0.288 25933 5753 1 12 . 1 1 19 19 VAL N N 19 121.280 121.280 121.385 -0.105 25933 5754 1 12 . 1 1 19 19 VAL HA H 19 4.547 4.547 4.417 0.130 25933 5755 1 12 . 1 1 19 19 VAL C C 19 175.238 175.238 174.050 1.188 25933 5756 1 12 . 1 1 19 19 VAL CA C 19 59.975 59.975 59.945 0.030 25933 5757 1 12 . 1 1 19 19 VAL CB C 19 33.809 33.809 34.623 -0.814 25933 5758 1 12 . 1 1 19 19 VAL H H 19 9.789 9.789 9.051 0.738 25933 5759 1 12 . 1 1 20 20 SER N N 20 118.562 118.562 123.083 -4.521 25933 5760 1 12 . 1 1 20 20 SER HA H 20 5.062 5.062 4.723 0.339 25933 5761 1 12 . 1 1 20 20 SER C C 20 174.439 174.439 174.221 0.218 25933 5762 1 12 . 1 1 20 20 SER CA C 20 57.132 57.132 57.293 -0.161 25933 5763 1 12 . 1 1 20 20 SER CB C 20 64.811 64.811 64.306 0.505 25933 5764 1 12 . 1 1 20 20 SER H H 20 8.638 8.638 8.399 0.239 25933 5765 1 12 . 1 1 21 21 CYS N N 21 125.432 125.432 124.989 0.443 25933 5766 1 12 . 1 1 21 21 CYS HA H 21 4.311 4.311 4.553 -0.242 25933 5767 1 12 . 1 1 21 21 CYS CA C 21 61.656 61.656 59.852 1.804 25933 5768 1 12 . 1 1 21 21 CYS CB C 21 31.029 31.029 27.729 3.300 25933 5769 1 12 . 1 1 21 21 CYS H H 21 8.132 8.132 8.301 -0.169 25933 5770 1 12 . 1 1 22 22 LYS N N 22 125.587 125.587 126.464 -0.877 25933 5771 1 12 . 1 1 22 22 LYS HA H 22 4.648 4.648 4.383 0.265 25933 5772 1 12 . 1 1 22 22 LYS C C 22 177.460 177.460 176.346 1.114 25933 5773 1 12 . 1 1 22 22 LYS H H 22 8.294 8.294 8.874 -0.580 25933 5774 1 12 . 1 1 23 23 LYS N N 23 130.703 130.703 120.938 9.765 25933 5775 1 12 . 1 1 23 23 LYS HA H 23 4.385 4.385 4.662 -0.277 25933 5776 1 12 . 1 1 23 23 LYS CA C 23 55.222 55.222 52.766 2.456 25933 5777 1 12 . 1 1 23 23 LYS CB C 23 33.949 33.949 33.453 0.496 25933 5778 1 12 . 1 1 23 23 LYS H H 23 9.496 9.496 7.929 1.567 25933 5779 1 12 . 1 1 24 24 PRO HA H 24 4.198 4.198 4.203 -0.005 25933 5780 1 12 . 1 1 24 24 PRO C C 24 177.835 177.835 177.830 0.005 25933 5781 1 12 . 1 1 24 24 PRO CA C 24 64.454 64.454 64.135 0.319 25933 5782 1 12 . 1 1 24 24 PRO CB C 24 31.420 31.420 31.587 -0.168 25933 5783 1 12 . 1 1 25 25 GLY N N 25 114.246 114.246 111.587 2.659 25933 5784 1 12 . 1 1 25 25 GLY C C 25 173.630 173.630 174.322 -0.692 25933 5785 1 12 . 1 1 25 25 GLY CA C 25 45.200 45.200 44.804 0.396 25933 5786 1 12 . 1 1 25 25 GLY H H 25 8.823 8.823 8.750 0.073 25933 5787 1 12 . 1 1 26 26 CYS N N 26 126.002 126.002 122.257 3.745 25933 5788 1 12 . 1 1 26 26 CYS HA H 26 5.014 5.014 4.911 0.103 25933 5789 1 12 . 1 1 26 26 CYS CA C 26 56.747 56.747 55.763 0.984 25933 5790 1 12 . 1 1 26 26 CYS CB C 26 32.711 32.711 27.600 5.111 25933 5791 1 12 . 1 1 26 26 CYS H H 26 8.076 8.076 7.753 0.323 25933 5792 1 12 . 1 1 27 27 PRO HA H 27 4.802 4.802 4.804 -0.002 25933 5793 1 12 . 1 1 27 27 PRO C C 27 175.970 175.970 175.527 0.443 25933 5794 1 12 . 1 1 27 27 PRO CA C 27 63.334 63.334 62.739 0.595 25933 5795 1 12 . 1 1 27 27 PRO CB C 27 32.920 32.920 31.598 1.322 25933 5796 1 12 . 1 1 28 28 LYS N N 28 121.413 121.413 119.375 2.038 25933 5797 1 12 . 1 1 28 28 LYS HA H 28 3.889 3.889 4.347 -0.458 25933 5798 1 12 . 1 1 28 28 LYS C C 28 175.961 175.961 174.375 1.586 25933 5799 1 12 . 1 1 28 28 LYS CA C 28 55.327 55.327 55.133 0.194 25933 5800 1 12 . 1 1 28 28 LYS CB C 28 32.132 32.132 34.455 -2.323 25933 5801 1 12 . 1 1 28 28 LYS H H 28 8.353 8.353 7.587 0.766 25933 5802 1 12 . 1 1 29 29 VAL N N 29 115.183 115.183 120.641 -5.458 25933 5803 1 12 . 1 1 29 29 VAL HA H 29 5.286 5.286 4.553 0.733 25933 5804 1 12 . 1 1 29 29 VAL C C 29 174.480 174.480 173.377 1.103 25933 5805 1 12 . 1 1 29 29 VAL CA C 29 58.616 58.616 60.115 -1.499 25933 5806 1 12 . 1 1 29 29 VAL CB C 29 35.526 35.526 35.775 -0.249 25933 5807 1 12 . 1 1 29 29 VAL H H 29 8.346 8.346 8.069 0.277 25933 5808 1 12 . 1 1 30 30 TYR N N 30 114.639 114.639 120.330 -5.691 25933 5809 1 12 . 1 1 30 30 TYR HA H 30 5.821 5.821 4.708 1.113 25933 5810 1 12 . 1 1 30 30 TYR C C 30 177.221 177.221 174.325 2.896 25933 5811 1 12 . 1 1 30 30 TYR CA C 30 56.989 56.989 56.407 0.582 25933 5812 1 12 . 1 1 30 30 TYR CB C 30 45.110 45.110 42.592 2.518 25933 5813 1 12 . 1 1 30 30 TYR H H 30 8.792 8.792 8.487 0.305 25933 5814 1 12 . 1 1 31 31 HIS N N 31 121.470 121.470 118.940 2.530 25933 5815 1 12 . 1 1 31 31 HIS HA H 31 4.890 4.890 5.122 -0.232 25933 5816 1 12 . 1 1 31 31 HIS C C 31 177.595 177.595 176.232 1.363 25933 5817 1 12 . 1 1 31 31 HIS CA C 31 58.141 58.141 55.240 2.901 25933 5818 1 12 . 1 1 31 31 HIS CB C 31 30.737 30.737 31.003 -0.266 25933 5819 1 12 . 1 1 31 31 HIS H H 31 9.164 9.164 8.220 0.944 25933 5820 1 12 . 1 1 32 32 ALA N N 32 129.786 129.786 126.641 3.145 25933 5821 1 12 . 1 1 32 32 ALA HA H 32 3.829 3.829 3.866 -0.037 25933 5822 1 12 . 1 1 32 32 ALA C C 32 180.494 180.494 178.310 2.184 25933 5823 1 12 . 1 1 32 32 ALA CA C 32 56.044 56.044 55.539 0.504 25933 5824 1 12 . 1 1 32 32 ALA CB C 32 17.179 17.179 18.778 -1.599 25933 5825 1 12 . 1 1 32 32 ALA H H 32 9.768 9.768 8.816 0.952 25933 5826 1 12 . 1 1 33 33 ASP N N 33 114.332 114.332 117.943 -3.611 25933 5827 1 12 . 1 1 33 33 ASP HA H 33 4.521 4.521 4.359 0.162 25933 5828 1 12 . 1 1 33 33 ASP C C 33 179.006 179.006 178.592 0.414 25933 5829 1 12 . 1 1 33 33 ASP CA C 33 56.541 56.541 57.558 -1.017 25933 5830 1 12 . 1 1 33 33 ASP CB C 33 40.316 40.316 40.796 -0.480 25933 5831 1 12 . 1 1 33 33 ASP H H 33 8.832 8.832 8.577 0.255 25933 5832 1 12 . 1 1 34 34 CYS N N 34 119.035 119.035 115.226 3.809 25933 5833 1 12 . 1 1 34 34 CYS HA H 34 4.224 4.224 4.373 -0.149 25933 5834 1 12 . 1 1 34 34 CYS C C 34 175.978 175.978 176.448 -0.470 25933 5835 1 12 . 1 1 34 34 CYS CA C 34 63.491 63.491 60.025 3.466 25933 5836 1 12 . 1 1 34 34 CYS CB C 34 28.925 28.925 26.108 2.817 25933 5837 1 12 . 1 1 34 34 CYS H H 34 7.364 7.364 8.514 -1.150 25933 5838 1 12 . 1 1 35 35 LEU N N 35 118.363 118.363 119.128 -0.765 25933 5839 1 12 . 1 1 35 35 LEU HA H 35 4.404 4.404 4.373 0.031 25933 5840 1 12 . 1 1 35 35 LEU C C 35 176.327 176.327 176.089 0.238 25933 5841 1 12 . 1 1 35 35 LEU CA C 35 53.966 53.966 54.692 -0.726 25933 5842 1 12 . 1 1 35 35 LEU CB C 35 42.982 42.982 41.925 1.057 25933 5843 1 12 . 1 1 35 35 LEU H H 35 7.135 7.135 7.398 -0.263 25933 5844 1 12 . 1 1 36 36 ASN N N 36 116.501 116.501 114.801 1.700 25933 5845 1 12 . 1 1 36 36 ASN HA H 36 4.461 4.461 4.442 0.019 25933 5846 1 12 . 1 1 36 36 ASN C C 36 175.075 175.075 174.806 0.269 25933 5847 1 12 . 1 1 36 36 ASN CA C 36 54.055 54.055 54.179 -0.124 25933 5848 1 12 . 1 1 36 36 ASN CB C 36 37.552 37.552 36.565 0.987 25933 5849 1 12 . 1 1 36 36 ASN H H 36 7.974 7.974 7.932 0.042 25933 5850 1 12 . 1 1 37 37 LEU N N 37 119.139 119.139 120.148 -1.009 25933 5851 1 12 . 1 1 37 37 LEU HA H 37 4.472 4.472 4.365 0.107 25933 5852 1 12 . 1 1 37 37 LEU C C 37 178.114 178.114 177.068 1.046 25933 5853 1 12 . 1 1 37 37 LEU CA C 37 54.421 54.421 54.959 -0.538 25933 5854 1 12 . 1 1 37 37 LEU CB C 37 42.937 42.937 40.235 2.702 25933 5855 1 12 . 1 1 37 37 LEU H H 37 7.953 7.953 8.421 -0.468 25933 5856 1 12 . 1 1 38 38 THR N N 38 113.698 113.698 117.264 -3.566 25933 5857 1 12 . 1 1 38 38 THR HA H 38 4.224 4.224 4.238 -0.014 25933 5858 1 12 . 1 1 38 38 THR C C 38 174.325 174.325 174.411 -0.086 25933 5859 1 12 . 1 1 38 38 THR CA C 38 62.608 62.608 64.309 -1.701 25933 5860 1 12 . 1 1 38 38 THR CB C 38 69.163 69.163 69.201 -0.038 25933 5861 1 12 . 1 1 38 38 THR H H 38 8.465 8.465 7.886 0.579 25933 5862 1 12 . 1 1 39 39 LYS N N 39 120.070 120.070 122.211 -2.141 25933 5863 1 12 . 1 1 39 39 LYS HA H 39 4.383 4.383 4.391 -0.008 25933 5864 1 12 . 1 1 39 39 LYS C C 39 175.570 175.570 175.284 0.286 25933 5865 1 12 . 1 1 39 39 LYS CA C 39 54.864 54.864 55.370 -0.506 25933 5866 1 12 . 1 1 39 39 LYS CB C 39 34.079 34.079 33.802 0.277 25933 5867 1 12 . 1 1 39 39 LYS H H 39 7.595 7.595 7.972 -0.377 25933 5868 1 12 . 1 1 40 40 ARG N N 40 123.383 123.383 125.683 -2.300 25933 5869 1 12 . 1 1 40 40 ARG HA H 40 4.163 4.163 4.516 -0.353 25933 5870 1 12 . 1 1 40 40 ARG CA C 40 54.474 54.474 54.589 -0.115 25933 5871 1 12 . 1 1 40 40 ARG CB C 40 29.745 29.745 30.232 -0.487 25933 5872 1 12 . 1 1 40 40 ARG H H 40 8.372 8.372 8.488 -0.116 25933 5873 1 12 . 1 1 41 41 PRO HA H 41 4.081 4.081 4.535 -0.454 25933 5874 1 12 . 1 1 41 41 PRO C C 41 176.215 176.215 175.274 0.941 25933 5875 1 12 . 1 1 41 41 PRO CA C 41 63.151 63.151 62.697 0.454 25933 5876 1 12 . 1 1 41 41 PRO CB C 41 32.154 32.154 32.990 -0.836 25933 5877 1 12 . 1 1 42 42 ALA N N 42 126.233 126.233 122.417 3.816 25933 5878 1 12 . 1 1 42 42 ALA HA H 42 4.447 4.447 4.527 -0.080 25933 5879 1 12 . 1 1 42 42 ALA C C 42 177.947 177.947 177.645 0.302 25933 5880 1 12 . 1 1 42 42 ALA CA C 42 51.741 51.741 51.541 0.200 25933 5881 1 12 . 1 1 42 42 ALA CB C 42 20.295 20.295 20.685 -0.390 25933 5882 1 12 . 1 1 42 42 ALA H H 42 8.368 8.368 8.298 0.070 25933 5883 1 12 . 1 1 43 43 GLY N N 43 108.071 108.071 112.388 -4.317 25933 5884 1 12 . 1 1 43 43 GLY C C 43 174.630 174.630 174.581 0.049 25933 5885 1 12 . 1 1 43 43 GLY CA C 43 45.871 45.871 45.548 0.323 25933 5886 1 12 . 1 1 43 43 GLY H H 43 8.499 8.499 8.535 -0.036 25933 5887 1 12 . 1 1 44 44 LYS N N 44 123.859 123.859 124.774 -0.915 25933 5888 1 12 . 1 1 44 44 LYS HA H 44 4.325 4.325 4.599 -0.274 25933 5889 1 12 . 1 1 44 44 LYS CA C 44 56.012 56.012 55.687 0.325 25933 5890 1 12 . 1 1 44 44 LYS CB C 44 31.307 31.307 32.920 -1.613 25933 5891 1 12 . 1 1 44 44 LYS H H 44 8.485 8.485 8.290 0.195 25933 5892 1 12 . 1 1 45 45 TRP N N 45 124.364 124.364 127.781 -3.417 25933 5893 1 12 . 1 1 45 45 TRP HA H 45 4.317 4.317 4.793 -0.476 25933 5894 1 12 . 1 1 45 45 TRP CA C 45 58.972 58.972 56.652 2.320 25933 5895 1 12 . 1 1 45 45 TRP CB C 45 29.468 29.468 31.172 -1.704 25933 5896 1 12 . 1 1 45 45 TRP H H 45 7.419 7.419 8.904 -1.485 25933 5897 1 12 . 1 1 46 46 GLU N N 46 124.890 124.890 128.489 -3.599 25933 5898 1 12 . 1 1 46 46 GLU HA H 46 4.623 4.623 4.250 0.373 25933 5899 1 12 . 1 1 46 46 GLU CA C 46 53.864 53.864 54.125 -0.261 25933 5900 1 12 . 1 1 46 46 GLU H H 46 7.623 7.623 8.218 -0.595 25933 5901 1 12 . 1 1 47 47 CYS N N 47 130.384 130.384 124.581 5.803 25933 5902 1 12 . 1 1 47 47 CYS HA H 47 4.623 4.623 3.761 0.862 25933 5903 1 12 . 1 1 47 47 CYS H H 47 9.574 9.574 7.828 1.746 25933 5904 1 12 . 1 1 48 48 PRO HA H 48 4.704 4.704 4.318 0.386 25933 5905 1 12 . 1 1 48 48 PRO C C 48 177.973 177.973 177.572 0.401 25933 5906 1 12 . 1 1 48 48 PRO CA C 48 64.380 64.380 64.354 0.026 25933 5907 1 12 . 1 1 48 48 PRO CB C 48 31.545 31.545 31.542 0.003 25933 5908 1 12 . 1 1 49 49 TRP N N 49 124.314 124.314 120.236 4.078 25933 5909 1 12 . 1 1 49 49 TRP HA H 49 5.248 5.248 4.564 0.684 25933 5910 1 12 . 1 1 49 49 TRP C C 49 179.054 179.054 175.333 3.721 25933 5911 1 12 . 1 1 49 49 TRP CA C 49 56.304 56.304 57.585 -1.281 25933 5912 1 12 . 1 1 49 49 TRP CB C 49 31.375 31.375 28.440 2.935 25933 5913 1 12 . 1 1 49 49 TRP H H 49 8.504 8.504 7.916 0.588 25933 5914 1 12 . 1 1 50 50 HIS N N 50 110.531 110.531 112.950 -2.419 25933 5915 1 12 . 1 1 50 50 HIS HA H 50 4.479 4.479 4.895 -0.416 25933 5916 1 12 . 1 1 50 50 HIS C C 50 175.070 175.070 174.864 0.206 25933 5917 1 12 . 1 1 50 50 HIS CA C 50 56.068 56.068 54.881 1.187 25933 5918 1 12 . 1 1 50 50 HIS CB C 50 28.267 28.267 30.287 -2.020 25933 5919 1 12 . 1 1 50 50 HIS H H 50 7.178 7.178 7.521 -0.343 25933 5920 1 12 . 1 1 51 51 GLN N N 51 118.176 118.176 118.743 -0.567 25933 5921 1 12 . 1 1 51 51 GLN HA H 51 4.638 4.638 4.976 -0.338 25933 5922 1 12 . 1 1 51 51 GLN C C 51 172.785 172.785 174.733 -1.948 25933 5923 1 12 . 1 1 51 51 GLN CA C 51 54.266 54.266 53.778 0.488 25933 5924 1 12 . 1 1 51 51 GLN CB C 51 30.779 30.779 31.211 -0.432 25933 5925 1 12 . 1 1 51 51 GLN H H 51 7.243 7.243 7.654 -0.411 25933 5926 1 12 . 1 1 52 52 CYS N N 52 123.532 123.532 126.610 -3.078 25933 5927 1 12 . 1 1 52 52 CYS HA H 52 4.049 4.049 4.572 -0.523 25933 5928 1 12 . 1 1 52 52 CYS C C 52 177.807 177.807 176.125 1.682 25933 5929 1 12 . 1 1 52 52 CYS CA C 52 58.257 58.257 59.200 -0.944 25933 5930 1 12 . 1 1 52 52 CYS CB C 52 31.165 31.165 27.262 3.904 25933 5931 1 12 . 1 1 52 52 CYS H H 52 9.344 9.344 9.199 0.145 25933 5932 1 12 . 1 1 53 53 ASP N N 53 134.328 134.328 128.825 5.503 25933 5933 1 12 . 1 1 53 53 ASP HA H 53 4.190 4.190 4.483 -0.293 25933 5934 1 12 . 1 1 53 53 ASP C C 53 176.732 176.732 176.234 0.498 25933 5935 1 12 . 1 1 53 53 ASP CA C 53 57.384 57.384 56.350 1.034 25933 5936 1 12 . 1 1 53 53 ASP CB C 53 41.122 41.122 40.930 0.192 25933 5937 1 12 . 1 1 53 53 ASP H H 53 9.185 9.185 8.878 0.307 25933 5938 1 12 . 1 1 54 54 VAL N N 54 119.653 119.653 119.572 0.081 25933 5939 1 12 . 1 1 54 54 VAL HA H 54 3.877 3.877 4.061 -0.184 25933 5940 1 12 . 1 1 54 54 VAL C C 54 177.243 177.243 176.662 0.581 25933 5941 1 12 . 1 1 54 54 VAL CA C 54 65.092 65.092 64.626 0.466 25933 5942 1 12 . 1 1 54 54 VAL CB C 54 33.012 33.012 32.592 0.420 25933 5943 1 12 . 1 1 54 54 VAL H H 54 8.796 8.796 7.866 0.930 25933 5944 1 12 . 1 1 55 55 CYS N N 55 115.992 115.992 115.390 0.602 25933 5945 1 12 . 1 1 55 55 CYS HA H 55 5.112 5.112 5.003 0.109 25933 5946 1 12 . 1 1 55 55 CYS C C 55 176.818 176.818 176.166 0.652 25933 5947 1 12 . 1 1 55 55 CYS CA C 55 58.337 58.337 58.087 0.250 25933 5948 1 12 . 1 1 55 55 CYS CB C 55 34.324 34.324 30.243 4.081 25933 5949 1 12 . 1 1 55 55 CYS H H 55 7.604 7.604 8.144 -0.540 25933 5950 1 12 . 1 1 56 56 GLY N N 56 114.227 114.227 111.108 3.119 25933 5951 1 12 . 1 1 56 56 GLY C C 56 173.824 173.824 174.118 -0.294 25933 5952 1 12 . 1 1 56 56 GLY CA C 56 46.409 46.409 45.437 0.972 25933 5953 1 12 . 1 1 56 56 GLY H H 56 8.548 8.548 8.585 -0.037 25933 5954 1 12 . 1 1 57 57 LYS N N 57 122.126 122.126 120.569 1.557 25933 5955 1 12 . 1 1 57 57 LYS HA H 57 4.412 4.412 4.324 0.088 25933 5956 1 12 . 1 1 57 57 LYS C C 57 175.055 175.055 175.876 -0.821 25933 5957 1 12 . 1 1 57 57 LYS CA C 57 56.717 56.717 55.859 0.858 25933 5958 1 12 . 1 1 57 57 LYS CB C 57 33.143 33.143 33.491 -0.348 25933 5959 1 12 . 1 1 57 57 LYS H H 57 8.314 8.314 7.461 0.853 25933 5960 1 12 . 1 1 58 58 GLU N N 58 120.782 120.782 120.262 0.520 25933 5961 1 12 . 1 1 58 58 GLU HA H 58 4.153 4.153 4.423 -0.270 25933 5962 1 12 . 1 1 58 58 GLU C C 58 176.662 176.662 176.454 0.208 25933 5963 1 12 . 1 1 58 58 GLU CA C 58 57.913 57.913 56.772 1.141 25933 5964 1 12 . 1 1 58 58 GLU CB C 58 29.825 29.825 30.400 -0.575 25933 5965 1 12 . 1 1 58 58 GLU H H 58 8.502 8.502 8.622 -0.120 25933 5966 1 12 . 1 1 59 59 ALA N N 59 127.052 127.052 128.839 -1.787 25933 5967 1 12 . 1 1 59 59 ALA HA H 59 3.402 3.402 4.275 -0.873 25933 5968 1 12 . 1 1 59 59 ALA C C 59 175.529 175.529 175.966 -0.437 25933 5969 1 12 . 1 1 59 59 ALA CA C 59 52.238 52.238 52.069 0.169 25933 5970 1 12 . 1 1 59 59 ALA CB C 59 19.006 19.006 19.454 -0.448 25933 5971 1 12 . 1 1 59 59 ALA H H 59 7.812 7.812 8.695 -0.883 25933 5972 1 12 . 1 1 60 60 ALA N N 60 122.703 122.703 125.390 -2.687 25933 5973 1 12 . 1 1 60 60 ALA HA H 60 4.473 4.473 4.312 0.161 25933 5974 1 12 . 1 1 60 60 ALA C C 60 176.087 176.087 176.853 -0.766 25933 5975 1 12 . 1 1 60 60 ALA CA C 60 51.930 51.930 52.006 -0.076 25933 5976 1 12 . 1 1 60 60 ALA CB C 60 23.146 23.146 20.694 2.452 25933 5977 1 12 . 1 1 60 60 ALA H H 60 8.356 8.356 8.430 -0.074 25933 5978 1 12 . 1 1 61 61 SER N N 61 114.279 114.279 114.048 0.231 25933 5979 1 12 . 1 1 61 61 SER HA H 61 4.637 4.637 4.262 0.375 25933 5980 1 12 . 1 1 61 61 SER C C 61 171.865 171.865 172.763 -0.898 25933 5981 1 12 . 1 1 61 61 SER CA C 61 58.060 58.060 56.604 1.456 25933 5982 1 12 . 1 1 61 61 SER CB C 61 66.719 66.719 65.134 1.585 25933 5983 1 12 . 1 1 61 61 SER H H 61 7.427 7.427 7.689 -0.262 25933 5984 1 12 . 1 1 62 62 PHE N N 62 123.075 123.075 118.949 4.126 25933 5985 1 12 . 1 1 62 62 PHE HA H 62 4.342 4.342 4.518 -0.176 25933 5986 1 12 . 1 1 62 62 PHE C C 62 174.547 174.547 175.241 -0.694 25933 5987 1 12 . 1 1 62 62 PHE CA C 62 57.701 57.701 56.150 1.551 25933 5988 1 12 . 1 1 62 62 PHE CB C 62 41.207 41.207 41.016 0.191 25933 5989 1 12 . 1 1 62 62 PHE H H 62 8.193 8.193 7.883 0.310 25933 5990 1 12 . 1 1 63 63 CYS N N 63 126.326 126.326 125.665 0.661 25933 5991 1 12 . 1 1 63 63 CYS HA H 63 4.297 4.297 4.563 -0.266 25933 5992 1 12 . 1 1 63 63 CYS C C 63 176.289 176.289 176.310 -0.021 25933 5993 1 12 . 1 1 63 63 CYS CA C 63 61.098 61.098 58.953 2.145 25933 5994 1 12 . 1 1 63 63 CYS CB C 63 29.621 29.621 27.564 2.057 25933 5995 1 12 . 1 1 63 63 CYS H H 63 9.106 9.106 8.908 0.198 25933 5996 1 12 . 1 1 64 64 GLU N N 64 124.601 124.601 129.927 -5.326 25933 5997 1 12 . 1 1 64 64 GLU HA H 64 4.887 4.887 4.763 0.124 25933 5998 1 12 . 1 1 64 64 GLU C C 64 177.682 177.682 176.375 1.307 25933 5999 1 12 . 1 1 64 64 GLU CA C 64 58.619 58.619 57.175 1.444 25933 6000 1 12 . 1 1 64 64 GLU CB C 64 30.567 30.567 29.591 0.976 25933 6001 1 12 . 1 1 64 64 GLU H H 64 8.911 8.911 9.129 -0.218 25933 6002 1 12 . 1 1 65 65 MET N N 65 121.669 121.669 115.241 6.428 25933 6003 1 12 . 1 1 65 65 MET HA H 65 4.536 4.536 4.792 -0.256 25933 6004 1 12 . 1 1 65 65 MET C C 65 173.906 173.906 175.032 -1.126 25933 6005 1 12 . 1 1 65 65 MET CA C 65 56.157 56.157 55.127 1.030 25933 6006 1 12 . 1 1 65 65 MET CB C 65 33.770 33.770 35.244 -1.474 25933 6007 1 12 . 1 1 65 65 MET H H 65 9.972 9.972 7.844 2.128 25933 6008 1 12 . 1 1 66 66 CYS N N 66 127.827 127.827 114.859 12.968 25933 6009 1 12 . 1 1 66 66 CYS HA H 66 3.424 3.424 4.742 -1.318 25933 6010 1 12 . 1 1 66 66 CYS CA C 66 57.581 57.581 57.163 0.418 25933 6011 1 12 . 1 1 66 66 CYS CB C 66 29.900 29.900 28.052 1.848 25933 6012 1 12 . 1 1 66 66 CYS H H 66 8.286 8.286 7.840 0.446 25933 6013 1 12 . 1 1 67 67 PRO HA H 67 4.660 4.660 4.589 0.071 25933 6014 1 12 . 1 1 67 67 PRO C C 67 176.387 176.387 175.970 0.417 25933 6015 1 12 . 1 1 67 67 PRO CA C 67 64.462 64.462 63.318 1.145 25933 6016 1 12 . 1 1 67 67 PRO CB C 67 31.018 31.018 30.912 0.106 25933 6017 1 12 . 1 1 68 68 SER N N 68 122.983 122.983 118.102 4.881 25933 6018 1 12 . 1 1 68 68 SER HA H 68 5.148 5.148 4.479 0.669 25933 6019 1 12 . 1 1 68 68 SER C C 68 173.421 173.421 173.204 0.217 25933 6020 1 12 . 1 1 68 68 SER CA C 68 59.799 59.799 57.976 1.823 25933 6021 1 12 . 1 1 68 68 SER CB C 68 64.047 64.047 63.322 0.725 25933 6022 1 12 . 1 1 68 68 SER H H 68 8.864 8.864 7.766 1.098 25933 6023 1 12 . 1 1 69 69 SER N N 69 115.147 115.147 120.828 -5.681 25933 6024 1 12 . 1 1 69 69 SER HA H 69 4.443 4.443 4.554 -0.111 25933 6025 1 12 . 1 1 69 69 SER C C 69 171.436 171.436 172.673 -1.237 25933 6026 1 12 . 1 1 69 69 SER CA C 69 56.585 56.585 56.995 -0.410 25933 6027 1 12 . 1 1 69 69 SER CB C 69 63.959 63.959 64.822 -0.863 25933 6028 1 12 . 1 1 69 69 SER H H 69 7.874 7.874 7.884 -0.010 25933 6029 1 12 . 1 1 70 70 PHE N N 70 112.477 112.477 117.218 -4.741 25933 6030 1 12 . 1 1 70 70 PHE HA H 70 6.052 6.052 4.989 1.063 25933 6031 1 12 . 1 1 70 70 PHE C C 70 176.905 176.905 175.491 1.414 25933 6032 1 12 . 1 1 70 70 PHE CA C 70 57.026 57.026 56.634 0.392 25933 6033 1 12 . 1 1 70 70 PHE CB C 70 45.774 45.774 43.386 2.388 25933 6034 1 12 . 1 1 70 70 PHE H H 70 8.192 8.192 8.464 -0.272 25933 6035 1 12 . 1 1 71 71 CYS N N 71 121.843 121.843 118.842 3.001 25933 6036 1 12 . 1 1 71 71 CYS HA H 71 4.806 4.806 4.993 -0.187 25933 6037 1 12 . 1 1 71 71 CYS C C 71 174.332 174.332 175.970 -1.638 25933 6038 1 12 . 1 1 71 71 CYS CA C 71 58.618 58.618 56.821 1.797 25933 6039 1 12 . 1 1 71 71 CYS CB C 71 30.249 30.249 30.259 -0.010 25933 6040 1 12 . 1 1 71 71 CYS H H 71 9.511 9.511 8.592 0.919 25933 6041 1 12 . 1 1 72 72 LYS N N 72 118.091 118.091 119.659 -1.568 25933 6042 1 12 . 1 1 72 72 LYS HA H 72 3.679 3.679 3.821 -0.142 25933 6043 1 12 . 1 1 72 72 LYS C C 72 177.831 177.831 179.329 -1.498 25933 6044 1 12 . 1 1 72 72 LYS CA C 72 60.445 60.445 59.874 0.571 25933 6045 1 12 . 1 1 72 72 LYS CB C 72 32.277 32.277 32.106 0.171 25933 6046 1 12 . 1 1 72 72 LYS H H 72 8.804 8.804 8.745 0.059 25933 6047 1 12 . 1 1 73 73 GLN N N 73 118.381 118.381 118.239 0.142 25933 6048 1 12 . 1 1 73 73 GLN HA H 73 4.078 4.078 4.078 -0.000 25933 6049 1 12 . 1 1 73 73 GLN C C 73 177.491 177.491 177.643 -0.152 25933 6050 1 12 . 1 1 73 73 GLN CA C 73 57.894 57.894 58.196 -0.301 25933 6051 1 12 . 1 1 73 73 GLN CB C 73 28.754 28.754 28.753 0.001 25933 6052 1 12 . 1 1 73 73 GLN H H 73 8.139 8.139 7.893 0.246 25933 6053 1 12 . 1 1 74 74 HIS N N 74 117.140 117.140 115.917 1.223 25933 6054 1 12 . 1 1 74 74 HIS HA H 74 5.015 5.015 4.618 0.397 25933 6055 1 12 . 1 1 74 74 HIS C C 74 174.206 174.206 175.696 -1.490 25933 6056 1 12 . 1 1 74 74 HIS CA C 74 57.692 57.692 56.182 1.510 25933 6057 1 12 . 1 1 74 74 HIS CB C 74 32.739 32.739 29.900 2.839 25933 6058 1 12 . 1 1 74 74 HIS H H 74 7.628 7.628 7.504 0.124 25933 6059 1 12 . 1 1 75 75 ARG N N 75 115.977 115.977 117.218 -1.241 25933 6060 1 12 . 1 1 75 75 ARG HA H 75 3.699 3.699 4.217 -0.518 25933 6061 1 12 . 1 1 75 75 ARG C C 75 176.493 176.493 175.792 0.701 25933 6062 1 12 . 1 1 75 75 ARG CA C 75 57.925 57.925 56.872 1.053 25933 6063 1 12 . 1 1 75 75 ARG CB C 75 30.179 30.179 31.079 -0.900 25933 6064 1 12 . 1 1 75 75 ARG H H 75 7.415 7.415 7.503 -0.088 25933 6065 1 12 . 1 1 76 76 GLU N N 76 123.649 123.649 121.702 1.947 25933 6066 1 12 . 1 1 76 76 GLU HA H 76 3.955 3.955 4.140 -0.185 25933 6067 1 12 . 1 1 76 76 GLU C C 76 177.401 177.401 177.252 0.149 25933 6068 1 12 . 1 1 76 76 GLU CA C 76 58.208 58.208 57.498 0.710 25933 6069 1 12 . 1 1 76 76 GLU CB C 76 28.668 28.668 29.414 -0.746 25933 6070 1 12 . 1 1 76 76 GLU H H 76 8.094 8.094 7.371 0.723 25933 6071 1 12 . 1 1 77 77 GLY N N 77 114.787 114.787 114.246 0.541 25933 6072 1 12 . 1 1 77 77 GLY C C 77 174.193 174.193 174.890 -0.697 25933 6073 1 12 . 1 1 77 77 GLY CA C 77 45.502 45.502 46.318 -0.816 25933 6074 1 12 . 1 1 77 77 GLY H H 77 8.831 8.831 9.097 -0.266 25933 6075 1 12 . 1 1 78 78 MET N N 78 115.494 115.494 117.419 -1.925 25933 6076 1 12 . 1 1 78 78 MET HA H 78 4.608 4.608 4.445 0.163 25933 6077 1 12 . 1 1 78 78 MET C C 78 175.808 175.808 175.111 0.697 25933 6078 1 12 . 1 1 78 78 MET CA C 78 53.865 53.865 54.995 -1.130 25933 6079 1 12 . 1 1 78 78 MET CB C 78 33.146 33.146 33.790 -0.644 25933 6080 1 12 . 1 1 78 78 MET H H 78 7.320 7.320 7.432 -0.112 25933 6081 1 12 . 1 1 79 79 LEU N N 79 116.112 116.112 119.917 -3.805 25933 6082 1 12 . 1 1 79 79 LEU HA H 79 5.083 5.083 4.790 0.293 25933 6083 1 12 . 1 1 79 79 LEU C C 79 175.580 175.580 174.597 0.983 25933 6084 1 12 . 1 1 79 79 LEU CA C 79 52.710 52.710 53.915 -1.205 25933 6085 1 12 . 1 1 79 79 LEU CB C 79 46.268 46.268 45.445 0.823 25933 6086 1 12 . 1 1 79 79 LEU H H 79 6.783 6.783 7.447 -0.664 25933 6087 1 12 . 1 1 80 80 PHE N N 80 121.484 121.484 120.639 0.845 25933 6088 1 12 . 1 1 80 80 PHE HA H 80 4.773 4.773 4.948 -0.175 25933 6089 1 12 . 1 1 80 80 PHE C C 80 174.354 174.354 173.566 0.788 25933 6090 1 12 . 1 1 80 80 PHE CA C 80 56.225 56.225 55.640 0.585 25933 6091 1 12 . 1 1 80 80 PHE CB C 80 42.377 42.377 41.377 1.000 25933 6092 1 12 . 1 1 80 80 PHE H H 80 9.296 9.296 8.384 0.912 25933 6093 1 12 . 1 1 81 81 ILE N N 81 123.854 123.854 121.221 2.633 25933 6094 1 12 . 1 1 81 81 ILE HA H 81 4.088 4.088 4.525 -0.437 25933 6095 1 12 . 1 1 81 81 ILE C C 81 176.829 176.829 176.351 0.478 25933 6096 1 12 . 1 1 81 81 ILE CA C 81 60.636 60.636 60.389 0.247 25933 6097 1 12 . 1 1 81 81 ILE CB C 81 37.486 37.486 37.544 -0.058 25933 6098 1 12 . 1 1 81 81 ILE H H 81 8.798 8.798 8.479 0.319 25933 6099 1 12 . 1 1 82 82 SER N N 82 124.730 124.730 122.704 2.026 25933 6100 1 12 . 1 1 82 82 SER HA H 82 4.530 4.530 4.641 -0.111 25933 6101 1 12 . 1 1 82 82 SER C C 82 177.460 177.460 175.638 1.822 25933 6102 1 12 . 1 1 82 82 SER CA C 82 58.180 58.180 58.461 -0.281 25933 6103 1 12 . 1 1 82 82 SER CB C 82 64.054 64.054 64.092 -0.038 25933 6104 1 12 . 1 1 82 82 SER H H 82 8.898 8.898 9.072 -0.174 25933 6105 1 12 . 1 1 83 83 LYS N N 83 129.518 129.518 127.908 1.610 25933 6106 1 12 . 1 1 83 83 LYS HA H 83 4.198 4.198 4.204 -0.006 25933 6107 1 12 . 1 1 83 83 LYS C C 83 177.173 177.173 176.922 0.251 25933 6108 1 12 . 1 1 83 83 LYS CA C 83 57.848 57.848 58.665 -0.817 25933 6109 1 12 . 1 1 83 83 LYS CB C 83 32.376 32.376 32.422 -0.046 25933 6110 1 12 . 1 1 83 83 LYS H H 83 9.269 9.269 8.883 0.386 25933 6111 1 12 . 1 1 84 84 LEU N N 84 120.539 120.539 119.886 0.653 25933 6112 1 12 . 1 1 84 84 LEU HA H 84 4.284 4.284 4.308 -0.024 25933 6113 1 12 . 1 1 84 84 LEU C C 84 178.443 178.443 178.277 0.166 25933 6114 1 12 . 1 1 84 84 LEU CA C 84 56.827 56.827 57.447 -0.620 25933 6115 1 12 . 1 1 84 84 LEU CB C 84 41.901 41.901 41.779 0.122 25933 6116 1 12 . 1 1 84 84 LEU H H 84 8.364 8.364 7.769 0.595 25933 6117 1 12 . 1 1 85 85 ASP N N 85 114.333 114.333 115.392 -1.059 25933 6118 1 12 . 1 1 85 85 ASP HA H 85 4.737 4.737 4.820 -0.083 25933 6119 1 12 . 1 1 85 85 ASP C C 85 177.413 177.413 177.269 0.144 25933 6120 1 12 . 1 1 85 85 ASP CA C 85 53.056 53.056 54.325 -1.269 25933 6121 1 12 . 1 1 85 85 ASP CB C 85 42.065 42.065 43.155 -1.090 25933 6122 1 12 . 1 1 85 85 ASP H H 85 7.326 7.326 7.804 -0.478 25933 6123 1 12 . 1 1 86 86 GLY N N 86 108.607 108.607 109.015 -0.408 25933 6124 1 12 . 1 1 86 86 GLY C C 86 174.036 174.036 173.838 0.198 25933 6125 1 12 . 1 1 86 86 GLY CA C 86 46.037 46.037 45.532 0.505 25933 6126 1 12 . 1 1 86 86 GLY H H 86 7.901 7.901 8.149 -0.248 25933 6127 1 12 . 1 1 87 87 ARG N N 87 120.598 120.598 119.415 1.183 25933 6128 1 12 . 1 1 87 87 ARG HA H 87 4.345 4.345 4.611 -0.266 25933 6129 1 12 . 1 1 87 87 ARG C C 87 175.968 175.968 176.255 -0.287 25933 6130 1 12 . 1 1 87 87 ARG CA C 87 56.810 56.810 55.148 1.662 25933 6131 1 12 . 1 1 87 87 ARG CB C 87 31.934 31.934 31.845 0.089 25933 6132 1 12 . 1 1 87 87 ARG H H 87 7.948 7.948 7.747 0.201 25933 6133 1 12 . 1 1 88 88 LEU N N 88 126.752 126.752 124.437 2.315 25933 6134 1 12 . 1 1 88 88 LEU HA H 88 4.576 4.576 4.678 -0.102 25933 6135 1 12 . 1 1 88 88 LEU C C 88 176.060 176.060 176.183 -0.123 25933 6136 1 12 . 1 1 88 88 LEU CA C 88 55.558 55.558 55.539 0.019 25933 6137 1 12 . 1 1 88 88 LEU CB C 88 42.815 42.815 41.938 0.877 25933 6138 1 12 . 1 1 88 88 LEU H H 88 8.968 8.968 9.241 -0.273 25933 6139 1 12 . 1 1 89 89 SER N N 89 118.859 118.859 119.582 -0.723 25933 6140 1 12 . 1 1 89 89 SER HA H 89 6.146 6.146 5.122 1.024 25933 6141 1 12 . 1 1 89 89 SER C C 89 174.338 174.338 173.438 0.900 25933 6142 1 12 . 1 1 89 89 SER CA C 89 56.311 56.311 56.271 0.040 25933 6143 1 12 . 1 1 89 89 SER CB C 89 67.072 67.072 65.662 1.410 25933 6144 1 12 . 1 1 89 89 SER H H 89 9.083 9.083 8.994 0.089 25933 6145 1 12 . 1 1 90 90 CYS N N 90 128.907 128.907 124.235 4.672 25933 6146 1 12 . 1 1 90 90 CYS HA H 90 5.815 5.815 5.510 0.305 25933 6147 1 12 . 1 1 90 90 CYS C C 90 176.386 176.386 177.111 -0.725 25933 6148 1 12 . 1 1 90 90 CYS CA C 90 58.908 58.908 55.863 3.045 25933 6149 1 12 . 1 1 90 90 CYS CB C 90 29.444 29.444 30.134 -0.691 25933 6150 1 12 . 1 1 90 90 CYS H H 90 10.389 10.389 8.178 2.211 25933 6151 1 12 . 1 1 91 91 THR N N 91 108.692 108.692 111.609 -2.917 25933 6152 1 12 . 1 1 91 91 THR HA H 91 4.398 4.398 4.409 -0.011 25933 6153 1 12 . 1 1 91 91 THR C C 91 175.912 175.912 175.256 0.656 25933 6154 1 12 . 1 1 91 91 THR CA C 91 63.576 63.576 63.639 -0.063 25933 6155 1 12 . 1 1 91 91 THR CB C 91 69.172 69.172 68.343 0.829 25933 6156 1 12 . 1 1 91 91 THR H H 91 8.435 8.435 8.336 0.099 25933 6157 1 12 . 1 1 92 92 GLU N N 92 123.418 123.418 119.432 3.986 25933 6158 1 12 . 1 1 92 92 GLU HA H 92 4.280 4.280 4.490 -0.210 25933 6159 1 12 . 1 1 92 92 GLU C C 92 175.937 175.937 176.336 -0.399 25933 6160 1 12 . 1 1 92 92 GLU CA C 92 56.582 56.582 56.285 0.297 25933 6161 1 12 . 1 1 92 92 GLU CB C 92 28.887 28.887 29.529 -0.642 25933 6162 1 12 . 1 1 92 92 GLU H H 92 8.626 8.626 7.535 1.091 25933 6163 1 12 . 1 1 93 93 HIS N N 93 117.178 117.178 117.413 -0.235 25933 6164 1 12 . 1 1 93 93 HIS HA H 93 4.789 4.789 4.858 -0.069 25933 6165 1 12 . 1 1 93 93 HIS C C 93 174.016 174.016 173.980 0.036 25933 6166 1 12 . 1 1 93 93 HIS CA C 93 54.275 54.275 54.595 -0.320 25933 6167 1 12 . 1 1 93 93 HIS CB C 93 29.373 29.373 29.382 -0.009 25933 6168 1 12 . 1 1 93 93 HIS H H 93 7.244 7.244 7.664 -0.420 25933 6169 1 13 . 1 1 2 2 ALA N N 2 124.503 124.503 121.501 3.002 25933 6170 1 13 . 1 1 2 2 ALA HA H 2 4.337 4.337 4.442 -0.105 25933 6171 1 13 . 1 1 2 2 ALA C C 2 177.688 177.688 179.349 -1.661 25933 6172 1 13 . 1 1 2 2 ALA CA C 2 52.598 52.598 53.941 -1.343 25933 6173 1 13 . 1 1 2 2 ALA CB C 2 19.375 19.375 19.612 -0.237 25933 6174 1 13 . 1 1 2 2 ALA H H 2 8.639 8.639 8.375 0.264 25933 6175 1 13 . 1 1 3 3 MET N N 3 120.183 120.183 117.818 2.365 25933 6176 1 13 . 1 1 3 3 MET HA H 3 4.402 4.402 4.429 -0.027 25933 6177 1 13 . 1 1 3 3 MET C C 3 176.072 176.072 176.234 -0.162 25933 6178 1 13 . 1 1 3 3 MET CA C 3 55.636 55.636 56.761 -1.125 25933 6179 1 13 . 1 1 3 3 MET CB C 3 32.936 32.936 32.417 0.519 25933 6180 1 13 . 1 1 3 3 MET H H 3 8.483 8.483 7.869 0.614 25933 6181 1 13 . 1 1 4 4 GLU N N 4 123.573 123.573 120.569 3.004 25933 6182 1 13 . 1 1 4 4 GLU HA H 4 4.255 4.255 4.510 -0.255 25933 6183 1 13 . 1 1 4 4 GLU C C 4 175.719 175.719 175.552 0.167 25933 6184 1 13 . 1 1 4 4 GLU CA C 4 56.516 56.516 55.829 0.687 25933 6185 1 13 . 1 1 4 4 GLU CB C 4 30.209 30.209 28.989 1.220 25933 6186 1 13 . 1 1 4 4 GLU H H 4 8.417 8.417 8.484 -0.067 25933 6187 1 13 . 1 1 5 5 ARG N N 5 121.879 121.879 123.680 -1.801 25933 6188 1 13 . 1 1 5 5 ARG HA H 5 4.327 4.327 4.867 -0.540 25933 6189 1 13 . 1 1 5 5 ARG C C 5 175.991 175.991 175.392 0.599 25933 6190 1 13 . 1 1 5 5 ARG CA C 5 55.879 55.879 55.023 0.856 25933 6191 1 13 . 1 1 5 5 ARG CB C 5 31.336 31.336 33.550 -2.214 25933 6192 1 13 . 1 1 5 5 ARG H H 5 8.099 8.099 8.498 -0.399 25933 6193 1 13 . 1 1 6 6 GLU N N 6 124.508 124.508 122.745 1.763 25933 6194 1 13 . 1 1 6 6 GLU HA H 6 4.245 4.245 4.305 -0.060 25933 6195 1 13 . 1 1 6 6 GLU C C 6 174.941 174.941 176.140 -1.199 25933 6196 1 13 . 1 1 6 6 GLU CA C 6 56.775 56.775 56.218 0.557 25933 6197 1 13 . 1 1 6 6 GLU CB C 6 30.421 30.421 30.637 -0.216 25933 6198 1 13 . 1 1 6 6 GLU H H 6 8.560 8.560 8.679 -0.119 25933 6199 1 13 . 1 1 7 7 ASP N N 7 117.067 117.067 118.919 -1.852 25933 6200 1 13 . 1 1 7 7 ASP HA H 7 4.520 4.520 4.547 -0.027 25933 6201 1 13 . 1 1 7 7 ASP C C 7 174.744 174.744 175.132 -0.388 25933 6202 1 13 . 1 1 7 7 ASP CA C 7 53.697 53.697 53.251 0.446 25933 6203 1 13 . 1 1 7 7 ASP CB C 7 42.222 42.222 41.446 0.776 25933 6204 1 13 . 1 1 7 7 ASP H H 7 8.237 8.237 8.490 -0.253 25933 6205 1 13 . 1 1 8 8 GLU N N 8 116.268 116.268 118.311 -2.043 25933 6206 1 13 . 1 1 8 8 GLU HA H 8 4.083 4.083 4.428 -0.345 25933 6207 1 13 . 1 1 8 8 GLU C C 8 173.257 173.257 173.903 -0.646 25933 6208 1 13 . 1 1 8 8 GLU CA C 8 54.382 54.382 54.616 -0.234 25933 6209 1 13 . 1 1 8 8 GLU CB C 8 32.438 32.438 32.509 -0.071 25933 6210 1 13 . 1 1 8 8 GLU H H 8 7.005 7.005 7.425 -0.420 25933 6211 1 13 . 1 1 9 9 CYS N N 9 124.211 124.211 124.397 -0.186 25933 6212 1 13 . 1 1 9 9 CYS HA H 9 4.157 4.157 4.738 -0.581 25933 6213 1 13 . 1 1 9 9 CYS C C 9 178.384 178.384 175.918 2.466 25933 6214 1 13 . 1 1 9 9 CYS CA C 9 57.640 57.640 57.900 -0.260 25933 6215 1 13 . 1 1 9 9 CYS CB C 9 31.396 31.396 26.264 5.132 25933 6216 1 13 . 1 1 9 9 CYS H H 9 8.220 8.220 8.492 -0.272 25933 6217 1 13 . 1 1 10 10 PHE N N 10 131.759 131.759 128.475 3.284 25933 6218 1 13 . 1 1 10 10 PHE HA H 10 4.695 4.695 4.143 0.552 25933 6219 1 13 . 1 1 10 10 PHE C C 10 176.194 176.194 175.792 0.402 25933 6220 1 13 . 1 1 10 10 PHE CA C 10 55.935 55.935 60.804 -4.869 25933 6221 1 13 . 1 1 10 10 PHE CB C 10 38.279 38.279 39.532 -1.253 25933 6222 1 13 . 1 1 10 10 PHE H H 10 8.765 8.765 8.113 0.652 25933 6223 1 13 . 1 1 11 11 SER N N 11 114.027 114.027 114.050 -0.023 25933 6224 1 13 . 1 1 11 11 SER HA H 11 4.331 4.331 4.276 0.055 25933 6225 1 13 . 1 1 11 11 SER C C 11 175.836 175.836 174.514 1.322 25933 6226 1 13 . 1 1 11 11 SER CA C 11 61.956 61.956 60.816 1.140 25933 6227 1 13 . 1 1 11 11 SER CB C 11 63.774 63.774 63.771 0.003 25933 6228 1 13 . 1 1 11 11 SER H H 11 8.686 8.686 8.226 0.460 25933 6229 1 13 . 1 1 12 12 CYS N N 12 118.224 118.224 116.911 1.313 25933 6230 1 13 . 1 1 12 12 CYS HA H 12 5.121 5.121 4.764 0.357 25933 6231 1 13 . 1 1 12 12 CYS C C 12 176.817 176.817 175.720 1.097 25933 6232 1 13 . 1 1 12 12 CYS CA C 12 58.693 58.693 59.138 -0.445 25933 6233 1 13 . 1 1 12 12 CYS CB C 12 32.837 32.837 30.895 1.942 25933 6234 1 13 . 1 1 12 12 CYS H H 12 8.195 8.195 7.475 0.720 25933 6235 1 13 . 1 1 13 13 GLY N N 13 114.509 114.509 109.142 5.367 25933 6236 1 13 . 1 1 13 13 GLY C C 13 173.093 173.093 173.342 -0.249 25933 6237 1 13 . 1 1 13 13 GLY CA C 13 46.346 46.346 45.448 0.898 25933 6238 1 13 . 1 1 13 13 GLY H H 13 8.385 8.385 8.601 -0.216 25933 6239 1 13 . 1 1 14 14 ASP N N 14 122.123 122.123 119.647 2.476 25933 6240 1 13 . 1 1 14 14 ASP HA H 14 5.294 5.294 4.904 0.390 25933 6241 1 13 . 1 1 14 14 ASP C C 14 176.111 176.111 174.706 1.405 25933 6242 1 13 . 1 1 14 14 ASP CA C 14 53.304 53.304 53.630 -0.326 25933 6243 1 13 . 1 1 14 14 ASP CB C 14 43.175 43.175 44.686 -1.511 25933 6244 1 13 . 1 1 14 14 ASP H H 14 8.512 8.512 7.700 0.812 25933 6245 1 13 . 1 1 15 15 ALA N N 15 123.765 123.765 122.887 0.878 25933 6246 1 13 . 1 1 15 15 ALA HA H 15 4.679 4.679 4.601 0.078 25933 6247 1 13 . 1 1 15 15 ALA C C 15 177.375 177.375 176.453 0.922 25933 6248 1 13 . 1 1 15 15 ALA CA C 15 51.216 51.216 51.926 -0.710 25933 6249 1 13 . 1 1 15 15 ALA CB C 15 19.842 19.842 20.805 -0.963 25933 6250 1 13 . 1 1 15 15 ALA H H 15 8.538 8.538 8.444 0.094 25933 6251 1 13 . 1 1 16 16 GLY N N 16 108.898 108.898 109.101 -0.203 25933 6252 1 13 . 1 1 16 16 GLY C C 16 172.132 172.132 173.008 -0.876 25933 6253 1 13 . 1 1 16 16 GLY CA C 16 45.320 45.320 45.619 -0.299 25933 6254 1 13 . 1 1 16 16 GLY H H 16 8.304 8.304 8.083 0.221 25933 6255 1 13 . 1 1 17 17 GLN N N 17 125.473 125.473 123.069 2.404 25933 6256 1 13 . 1 1 17 17 GLN HA H 17 4.359 4.359 4.392 -0.033 25933 6257 1 13 . 1 1 17 17 GLN C C 17 175.263 175.263 174.924 0.339 25933 6258 1 13 . 1 1 17 17 GLN CA C 17 55.779 55.779 55.901 -0.122 25933 6259 1 13 . 1 1 17 17 GLN CB C 17 27.927 27.927 28.147 -0.220 25933 6260 1 13 . 1 1 17 17 GLN H H 17 8.887 8.887 8.479 0.408 25933 6261 1 13 . 1 1 18 18 LEU N N 18 127.246 127.246 126.392 0.854 25933 6262 1 13 . 1 1 18 18 LEU HA H 18 4.714 4.714 5.124 -0.410 25933 6263 1 13 . 1 1 18 18 LEU C C 18 177.078 177.078 176.483 0.595 25933 6264 1 13 . 1 1 18 18 LEU CA C 18 53.755 53.755 53.581 0.174 25933 6265 1 13 . 1 1 18 18 LEU CB C 18 44.191 44.191 43.464 0.727 25933 6266 1 13 . 1 1 18 18 LEU H H 18 8.322 8.322 8.001 0.321 25933 6267 1 13 . 1 1 19 19 VAL N N 19 121.280 121.280 123.598 -2.318 25933 6268 1 13 . 1 1 19 19 VAL HA H 19 4.547 4.547 4.420 0.127 25933 6269 1 13 . 1 1 19 19 VAL C C 19 175.238 175.238 174.248 0.990 25933 6270 1 13 . 1 1 19 19 VAL CA C 19 59.975 59.975 60.121 -0.146 25933 6271 1 13 . 1 1 19 19 VAL CB C 19 33.809 33.809 35.061 -1.252 25933 6272 1 13 . 1 1 19 19 VAL H H 19 9.789 9.789 9.127 0.662 25933 6273 1 13 . 1 1 20 20 SER N N 20 118.562 118.562 123.307 -4.745 25933 6274 1 13 . 1 1 20 20 SER HA H 20 5.062 5.062 4.637 0.425 25933 6275 1 13 . 1 1 20 20 SER C C 20 174.439 174.439 174.503 -0.064 25933 6276 1 13 . 1 1 20 20 SER CA C 20 57.132 57.132 57.550 -0.418 25933 6277 1 13 . 1 1 20 20 SER CB C 20 64.811 64.811 64.275 0.536 25933 6278 1 13 . 1 1 20 20 SER H H 20 8.638 8.638 8.457 0.181 25933 6279 1 13 . 1 1 21 21 CYS N N 21 125.432 125.432 126.813 -1.381 25933 6280 1 13 . 1 1 21 21 CYS HA H 21 4.311 4.311 4.579 -0.268 25933 6281 1 13 . 1 1 21 21 CYS CA C 21 61.656 61.656 60.348 1.308 25933 6282 1 13 . 1 1 21 21 CYS CB C 21 31.029 31.029 27.605 3.424 25933 6283 1 13 . 1 1 21 21 CYS H H 21 8.132 8.132 8.373 -0.241 25933 6284 1 13 . 1 1 22 22 LYS N N 22 125.587 125.587 126.634 -1.047 25933 6285 1 13 . 1 1 22 22 LYS HA H 22 4.648 4.648 4.304 0.344 25933 6286 1 13 . 1 1 22 22 LYS C C 22 177.460 177.460 175.531 1.929 25933 6287 1 13 . 1 1 22 22 LYS H H 22 8.294 8.294 8.941 -0.647 25933 6288 1 13 . 1 1 23 23 LYS N N 23 130.703 130.703 119.592 11.111 25933 6289 1 13 . 1 1 23 23 LYS HA H 23 4.385 4.385 4.721 -0.336 25933 6290 1 13 . 1 1 23 23 LYS CA C 23 55.222 55.222 52.530 2.692 25933 6291 1 13 . 1 1 23 23 LYS CB C 23 33.949 33.949 34.343 -0.393 25933 6292 1 13 . 1 1 23 23 LYS H H 23 9.496 9.496 7.772 1.724 25933 6293 1 13 . 1 1 24 24 PRO HA H 24 4.198 4.198 4.380 -0.182 25933 6294 1 13 . 1 1 24 24 PRO C C 24 177.835 177.835 177.560 0.275 25933 6295 1 13 . 1 1 24 24 PRO CA C 24 64.454 64.454 63.921 0.533 25933 6296 1 13 . 1 1 24 24 PRO CB C 24 31.420 31.420 32.052 -0.632 25933 6297 1 13 . 1 1 25 25 GLY N N 25 114.246 114.246 109.919 4.327 25933 6298 1 13 . 1 1 25 25 GLY C C 25 173.630 173.630 173.702 -0.072 25933 6299 1 13 . 1 1 25 25 GLY CA C 25 45.200 45.200 44.734 0.466 25933 6300 1 13 . 1 1 25 25 GLY H H 25 8.823 8.823 8.798 0.025 25933 6301 1 13 . 1 1 26 26 CYS N N 26 126.002 126.002 122.321 3.681 25933 6302 1 13 . 1 1 26 26 CYS HA H 26 5.014 5.014 4.919 0.095 25933 6303 1 13 . 1 1 26 26 CYS CA C 26 56.747 56.747 55.358 1.389 25933 6304 1 13 . 1 1 26 26 CYS CB C 26 32.711 32.711 27.645 5.066 25933 6305 1 13 . 1 1 26 26 CYS H H 26 8.076 8.076 7.689 0.387 25933 6306 1 13 . 1 1 27 27 PRO HA H 27 4.802 4.802 4.989 -0.186 25933 6307 1 13 . 1 1 27 27 PRO C C 27 175.970 175.970 175.978 -0.008 25933 6308 1 13 . 1 1 27 27 PRO CA C 27 63.334 63.334 63.009 0.325 25933 6309 1 13 . 1 1 27 27 PRO CB C 27 32.920 32.920 32.310 0.610 25933 6310 1 13 . 1 1 28 28 LYS N N 28 121.413 121.413 119.895 1.518 25933 6311 1 13 . 1 1 28 28 LYS HA H 28 3.889 3.889 4.165 -0.276 25933 6312 1 13 . 1 1 28 28 LYS C C 28 175.961 175.961 174.723 1.238 25933 6313 1 13 . 1 1 28 28 LYS CA C 28 55.327 55.327 56.274 -0.947 25933 6314 1 13 . 1 1 28 28 LYS CB C 28 32.132 32.132 33.051 -0.919 25933 6315 1 13 . 1 1 28 28 LYS H H 28 8.353 8.353 7.340 1.013 25933 6316 1 13 . 1 1 29 29 VAL N N 29 115.183 115.183 120.787 -5.604 25933 6317 1 13 . 1 1 29 29 VAL HA H 29 5.286 5.286 4.423 0.863 25933 6318 1 13 . 1 1 29 29 VAL C C 29 174.480 174.480 173.246 1.234 25933 6319 1 13 . 1 1 29 29 VAL CA C 29 58.616 58.616 59.994 -1.378 25933 6320 1 13 . 1 1 29 29 VAL CB C 29 35.526 35.526 35.733 -0.207 25933 6321 1 13 . 1 1 29 29 VAL H H 29 8.346 8.346 8.078 0.268 25933 6322 1 13 . 1 1 30 30 TYR N N 30 114.639 114.639 120.303 -5.664 25933 6323 1 13 . 1 1 30 30 TYR HA H 30 5.821 5.821 4.724 1.097 25933 6324 1 13 . 1 1 30 30 TYR C C 30 177.221 177.221 174.449 2.772 25933 6325 1 13 . 1 1 30 30 TYR CA C 30 56.989 56.989 55.917 1.072 25933 6326 1 13 . 1 1 30 30 TYR CB C 30 45.110 45.110 42.407 2.703 25933 6327 1 13 . 1 1 30 30 TYR H H 30 8.792 8.792 8.475 0.317 25933 6328 1 13 . 1 1 31 31 HIS N N 31 121.470 121.470 119.375 2.095 25933 6329 1 13 . 1 1 31 31 HIS HA H 31 4.890 4.890 5.269 -0.379 25933 6330 1 13 . 1 1 31 31 HIS C C 31 177.595 177.595 176.450 1.145 25933 6331 1 13 . 1 1 31 31 HIS CA C 31 58.141 58.141 55.397 2.744 25933 6332 1 13 . 1 1 31 31 HIS CB C 31 30.737 30.737 30.727 0.010 25933 6333 1 13 . 1 1 31 31 HIS H H 31 9.164 9.164 8.220 0.944 25933 6334 1 13 . 1 1 32 32 ALA N N 32 129.786 129.786 126.775 3.011 25933 6335 1 13 . 1 1 32 32 ALA HA H 32 3.829 3.829 3.885 -0.056 25933 6336 1 13 . 1 1 32 32 ALA C C 32 180.494 180.494 178.332 2.162 25933 6337 1 13 . 1 1 32 32 ALA CA C 32 56.044 56.044 55.523 0.521 25933 6338 1 13 . 1 1 32 32 ALA CB C 32 17.179 17.179 18.832 -1.653 25933 6339 1 13 . 1 1 32 32 ALA H H 32 9.768 9.768 8.374 1.394 25933 6340 1 13 . 1 1 33 33 ASP N N 33 114.332 114.332 118.410 -4.078 25933 6341 1 13 . 1 1 33 33 ASP HA H 33 4.521 4.521 4.320 0.201 25933 6342 1 13 . 1 1 33 33 ASP C C 33 179.006 179.006 178.417 0.589 25933 6343 1 13 . 1 1 33 33 ASP CA C 33 56.541 56.541 57.862 -1.321 25933 6344 1 13 . 1 1 33 33 ASP CB C 33 40.316 40.316 40.702 -0.385 25933 6345 1 13 . 1 1 33 33 ASP H H 33 8.832 8.832 8.616 0.216 25933 6346 1 13 . 1 1 34 34 CYS N N 34 119.035 119.035 115.577 3.458 25933 6347 1 13 . 1 1 34 34 CYS HA H 34 4.224 4.224 4.501 -0.277 25933 6348 1 13 . 1 1 34 34 CYS C C 34 175.978 175.978 176.390 -0.412 25933 6349 1 13 . 1 1 34 34 CYS CA C 34 63.491 63.491 59.270 4.221 25933 6350 1 13 . 1 1 34 34 CYS CB C 34 28.925 28.925 26.637 2.288 25933 6351 1 13 . 1 1 34 34 CYS H H 34 7.364 7.364 8.475 -1.111 25933 6352 1 13 . 1 1 35 35 LEU N N 35 118.363 118.363 120.088 -1.725 25933 6353 1 13 . 1 1 35 35 LEU HA H 35 4.404 4.404 4.396 0.008 25933 6354 1 13 . 1 1 35 35 LEU C C 35 176.327 176.327 176.403 -0.076 25933 6355 1 13 . 1 1 35 35 LEU CA C 35 53.966 53.966 54.568 -0.602 25933 6356 1 13 . 1 1 35 35 LEU CB C 35 42.982 42.982 41.892 1.090 25933 6357 1 13 . 1 1 35 35 LEU H H 35 7.135 7.135 7.714 -0.579 25933 6358 1 13 . 1 1 36 36 ASN N N 36 116.501 116.501 116.446 0.055 25933 6359 1 13 . 1 1 36 36 ASN HA H 36 4.461 4.461 4.441 0.020 25933 6360 1 13 . 1 1 36 36 ASN C C 36 175.075 175.075 175.068 0.007 25933 6361 1 13 . 1 1 36 36 ASN CA C 36 54.055 54.055 53.943 0.112 25933 6362 1 13 . 1 1 36 36 ASN CB C 36 37.552 37.552 37.328 0.223 25933 6363 1 13 . 1 1 36 36 ASN H H 36 7.974 7.974 7.989 -0.015 25933 6364 1 13 . 1 1 37 37 LEU N N 37 119.139 119.139 119.070 0.069 25933 6365 1 13 . 1 1 37 37 LEU HA H 37 4.472 4.472 4.415 0.057 25933 6366 1 13 . 1 1 37 37 LEU C C 37 178.114 178.114 176.882 1.232 25933 6367 1 13 . 1 1 37 37 LEU CA C 37 54.421 54.421 54.510 -0.089 25933 6368 1 13 . 1 1 37 37 LEU CB C 37 42.937 42.937 39.488 3.449 25933 6369 1 13 . 1 1 37 37 LEU H H 37 7.953 7.953 8.422 -0.469 25933 6370 1 13 . 1 1 38 38 THR N N 38 113.698 113.698 115.696 -1.998 25933 6371 1 13 . 1 1 38 38 THR HA H 38 4.224 4.224 4.158 0.066 25933 6372 1 13 . 1 1 38 38 THR C C 38 174.325 174.325 175.236 -0.911 25933 6373 1 13 . 1 1 38 38 THR CA C 38 62.608 62.608 64.051 -1.443 25933 6374 1 13 . 1 1 38 38 THR CB C 38 69.163 69.163 69.179 -0.016 25933 6375 1 13 . 1 1 38 38 THR H H 38 8.465 8.465 7.781 0.684 25933 6376 1 13 . 1 1 39 39 LYS N N 39 120.070 120.070 121.067 -0.997 25933 6377 1 13 . 1 1 39 39 LYS HA H 39 4.383 4.383 4.409 -0.026 25933 6378 1 13 . 1 1 39 39 LYS C C 39 175.570 175.570 175.355 0.215 25933 6379 1 13 . 1 1 39 39 LYS CA C 39 54.864 54.864 55.269 -0.405 25933 6380 1 13 . 1 1 39 39 LYS CB C 39 34.079 34.079 33.644 0.435 25933 6381 1 13 . 1 1 39 39 LYS H H 39 7.595 7.595 8.008 -0.413 25933 6382 1 13 . 1 1 40 40 ARG N N 40 123.383 123.383 124.220 -0.837 25933 6383 1 13 . 1 1 40 40 ARG HA H 40 4.163 4.163 4.547 -0.384 25933 6384 1 13 . 1 1 40 40 ARG CA C 40 54.474 54.474 53.962 0.512 25933 6385 1 13 . 1 1 40 40 ARG CB C 40 29.745 29.745 30.308 -0.563 25933 6386 1 13 . 1 1 40 40 ARG H H 40 8.372 8.372 8.339 0.033 25933 6387 1 13 . 1 1 41 41 PRO HA H 41 4.081 4.081 4.506 -0.425 25933 6388 1 13 . 1 1 41 41 PRO C C 41 176.215 176.215 175.588 0.627 25933 6389 1 13 . 1 1 41 41 PRO CA C 41 63.151 63.151 62.824 0.327 25933 6390 1 13 . 1 1 41 41 PRO CB C 41 32.154 32.154 32.130 0.024 25933 6391 1 13 . 1 1 42 42 ALA N N 42 126.233 126.233 124.628 1.605 25933 6392 1 13 . 1 1 42 42 ALA HA H 42 4.447 4.447 4.543 -0.096 25933 6393 1 13 . 1 1 42 42 ALA C C 42 177.947 177.947 177.439 0.508 25933 6394 1 13 . 1 1 42 42 ALA CA C 42 51.741 51.741 51.500 0.241 25933 6395 1 13 . 1 1 42 42 ALA CB C 42 20.295 20.295 20.715 -0.420 25933 6396 1 13 . 1 1 42 42 ALA H H 42 8.368 8.368 8.112 0.256 25933 6397 1 13 . 1 1 43 43 GLY N N 43 108.071 108.071 110.964 -2.893 25933 6398 1 13 . 1 1 43 43 GLY C C 43 174.630 174.630 174.376 0.254 25933 6399 1 13 . 1 1 43 43 GLY CA C 43 45.871 45.871 45.221 0.650 25933 6400 1 13 . 1 1 43 43 GLY H H 43 8.499 8.499 8.416 0.083 25933 6401 1 13 . 1 1 44 44 LYS N N 44 123.859 123.859 124.435 -0.576 25933 6402 1 13 . 1 1 44 44 LYS HA H 44 4.325 4.325 4.444 -0.119 25933 6403 1 13 . 1 1 44 44 LYS CA C 44 56.012 56.012 55.970 0.042 25933 6404 1 13 . 1 1 44 44 LYS CB C 44 31.307 31.307 32.714 -1.407 25933 6405 1 13 . 1 1 44 44 LYS H H 44 8.485 8.485 8.388 0.097 25933 6406 1 13 . 1 1 45 45 TRP N N 45 124.364 124.364 128.251 -3.887 25933 6407 1 13 . 1 1 45 45 TRP HA H 45 4.317 4.317 4.842 -0.525 25933 6408 1 13 . 1 1 45 45 TRP CA C 45 58.972 58.972 56.564 2.408 25933 6409 1 13 . 1 1 45 45 TRP CB C 45 29.468 29.468 31.346 -1.878 25933 6410 1 13 . 1 1 45 45 TRP H H 45 7.419 7.419 8.683 -1.264 25933 6411 1 13 . 1 1 46 46 GLU N N 46 124.890 124.890 127.515 -2.625 25933 6412 1 13 . 1 1 46 46 GLU HA H 46 4.623 4.623 4.381 0.242 25933 6413 1 13 . 1 1 46 46 GLU CA C 46 53.864 53.864 54.520 -0.656 25933 6414 1 13 . 1 1 46 46 GLU H H 46 7.623 7.623 8.165 -0.542 25933 6415 1 13 . 1 1 47 47 CYS N N 47 130.384 130.384 122.299 8.085 25933 6416 1 13 . 1 1 47 47 CYS HA H 47 4.623 4.623 3.782 0.841 25933 6417 1 13 . 1 1 47 47 CYS H H 47 9.574 9.574 7.886 1.688 25933 6418 1 13 . 1 1 48 48 PRO HA H 48 4.704 4.704 4.239 0.465 25933 6419 1 13 . 1 1 48 48 PRO C C 48 177.973 177.973 177.731 0.242 25933 6420 1 13 . 1 1 48 48 PRO CA C 48 64.380 64.380 64.498 -0.118 25933 6421 1 13 . 1 1 48 48 PRO CB C 48 31.545 31.545 31.532 0.013 25933 6422 1 13 . 1 1 49 49 TRP N N 49 124.314 124.314 119.903 4.411 25933 6423 1 13 . 1 1 49 49 TRP HA H 49 5.248 5.248 4.491 0.757 25933 6424 1 13 . 1 1 49 49 TRP C C 49 179.054 179.054 175.399 3.655 25933 6425 1 13 . 1 1 49 49 TRP CA C 49 56.304 56.304 57.869 -1.565 25933 6426 1 13 . 1 1 49 49 TRP CB C 49 31.375 31.375 28.255 3.120 25933 6427 1 13 . 1 1 49 49 TRP H H 49 8.504 8.504 7.848 0.656 25933 6428 1 13 . 1 1 50 50 HIS N N 50 110.531 110.531 112.445 -1.914 25933 6429 1 13 . 1 1 50 50 HIS HA H 50 4.479 4.479 4.721 -0.242 25933 6430 1 13 . 1 1 50 50 HIS C C 50 175.070 175.070 174.842 0.228 25933 6431 1 13 . 1 1 50 50 HIS CA C 50 56.068 56.068 55.465 0.603 25933 6432 1 13 . 1 1 50 50 HIS CB C 50 28.267 28.267 30.367 -2.100 25933 6433 1 13 . 1 1 50 50 HIS H H 50 7.178 7.178 7.479 -0.301 25933 6434 1 13 . 1 1 51 51 GLN N N 51 118.176 118.176 118.330 -0.154 25933 6435 1 13 . 1 1 51 51 GLN HA H 51 4.638 4.638 5.077 -0.439 25933 6436 1 13 . 1 1 51 51 GLN C C 51 172.785 172.785 175.059 -2.274 25933 6437 1 13 . 1 1 51 51 GLN CA C 51 54.266 54.266 53.569 0.697 25933 6438 1 13 . 1 1 51 51 GLN CB C 51 30.779 30.779 31.039 -0.260 25933 6439 1 13 . 1 1 51 51 GLN H H 51 7.243 7.243 7.670 -0.427 25933 6440 1 13 . 1 1 52 52 CYS N N 52 123.532 123.532 126.757 -3.225 25933 6441 1 13 . 1 1 52 52 CYS HA H 52 4.049 4.049 4.475 -0.426 25933 6442 1 13 . 1 1 52 52 CYS C C 52 177.807 177.807 176.152 1.655 25933 6443 1 13 . 1 1 52 52 CYS CA C 52 58.257 58.257 59.267 -1.010 25933 6444 1 13 . 1 1 52 52 CYS CB C 52 31.165 31.165 27.185 3.980 25933 6445 1 13 . 1 1 52 52 CYS H H 52 9.344 9.344 9.169 0.175 25933 6446 1 13 . 1 1 53 53 ASP N N 53 134.328 134.328 128.900 5.428 25933 6447 1 13 . 1 1 53 53 ASP HA H 53 4.190 4.190 4.403 -0.213 25933 6448 1 13 . 1 1 53 53 ASP C C 53 176.732 176.732 176.458 0.274 25933 6449 1 13 . 1 1 53 53 ASP CA C 53 57.384 57.384 56.574 0.810 25933 6450 1 13 . 1 1 53 53 ASP CB C 53 41.122 41.122 40.823 0.299 25933 6451 1 13 . 1 1 53 53 ASP H H 53 9.185 9.185 8.920 0.265 25933 6452 1 13 . 1 1 54 54 VAL N N 54 119.653 119.653 119.473 0.180 25933 6453 1 13 . 1 1 54 54 VAL HA H 54 3.877 3.877 3.968 -0.091 25933 6454 1 13 . 1 1 54 54 VAL C C 54 177.243 177.243 176.937 0.306 25933 6455 1 13 . 1 1 54 54 VAL CA C 54 65.092 65.092 64.646 0.446 25933 6456 1 13 . 1 1 54 54 VAL CB C 54 33.012 33.012 32.392 0.619 25933 6457 1 13 . 1 1 54 54 VAL H H 54 8.796 8.796 8.023 0.773 25933 6458 1 13 . 1 1 55 55 CYS N N 55 115.992 115.992 113.920 2.072 25933 6459 1 13 . 1 1 55 55 CYS HA H 55 5.112 5.112 5.021 0.091 25933 6460 1 13 . 1 1 55 55 CYS C C 55 176.818 176.818 176.102 0.716 25933 6461 1 13 . 1 1 55 55 CYS CA C 55 58.337 58.337 57.248 1.089 25933 6462 1 13 . 1 1 55 55 CYS CB C 55 34.324 34.324 30.181 4.143 25933 6463 1 13 . 1 1 55 55 CYS H H 55 7.604 7.604 7.985 -0.381 25933 6464 1 13 . 1 1 56 56 GLY N N 56 114.227 114.227 110.854 3.373 25933 6465 1 13 . 1 1 56 56 GLY C C 56 173.824 173.824 174.440 -0.616 25933 6466 1 13 . 1 1 56 56 GLY CA C 56 46.409 46.409 45.808 0.601 25933 6467 1 13 . 1 1 56 56 GLY H H 56 8.548 8.548 8.714 -0.166 25933 6468 1 13 . 1 1 57 57 LYS N N 57 122.126 122.126 119.829 2.297 25933 6469 1 13 . 1 1 57 57 LYS HA H 57 4.412 4.412 4.389 0.023 25933 6470 1 13 . 1 1 57 57 LYS C C 57 175.055 175.055 175.593 -0.538 25933 6471 1 13 . 1 1 57 57 LYS CA C 57 56.717 56.717 55.316 1.401 25933 6472 1 13 . 1 1 57 57 LYS CB C 57 33.143 33.143 33.822 -0.679 25933 6473 1 13 . 1 1 57 57 LYS H H 57 8.314 8.314 7.396 0.918 25933 6474 1 13 . 1 1 58 58 GLU N N 58 120.782 120.782 119.778 1.004 25933 6475 1 13 . 1 1 58 58 GLU HA H 58 4.153 4.153 4.349 -0.196 25933 6476 1 13 . 1 1 58 58 GLU C C 58 176.662 176.662 176.192 0.470 25933 6477 1 13 . 1 1 58 58 GLU CA C 58 57.913 57.913 57.230 0.683 25933 6478 1 13 . 1 1 58 58 GLU CB C 58 29.825 29.825 29.901 -0.075 25933 6479 1 13 . 1 1 58 58 GLU H H 58 8.502 8.502 8.573 -0.071 25933 6480 1 13 . 1 1 59 59 ALA N N 59 127.052 127.052 128.961 -1.909 25933 6481 1 13 . 1 1 59 59 ALA HA H 59 3.402 3.402 4.407 -1.005 25933 6482 1 13 . 1 1 59 59 ALA C C 59 175.529 175.529 175.998 -0.469 25933 6483 1 13 . 1 1 59 59 ALA CA C 59 52.238 52.238 51.692 0.546 25933 6484 1 13 . 1 1 59 59 ALA CB C 59 19.006 19.006 19.877 -0.871 25933 6485 1 13 . 1 1 59 59 ALA H H 59 7.812 7.812 8.680 -0.868 25933 6486 1 13 . 1 1 60 60 ALA N N 60 122.703 122.703 124.725 -2.022 25933 6487 1 13 . 1 1 60 60 ALA HA H 60 4.473 4.473 4.453 0.020 25933 6488 1 13 . 1 1 60 60 ALA C C 60 176.087 176.087 176.686 -0.599 25933 6489 1 13 . 1 1 60 60 ALA CA C 60 51.930 51.930 52.422 -0.492 25933 6490 1 13 . 1 1 60 60 ALA CB C 60 23.146 23.146 20.524 2.622 25933 6491 1 13 . 1 1 60 60 ALA H H 60 8.356 8.356 8.633 -0.277 25933 6492 1 13 . 1 1 61 61 SER N N 61 114.279 114.279 114.135 0.144 25933 6493 1 13 . 1 1 61 61 SER HA H 61 4.637 4.637 4.160 0.477 25933 6494 1 13 . 1 1 61 61 SER C C 61 171.865 171.865 172.584 -0.719 25933 6495 1 13 . 1 1 61 61 SER CA C 61 58.060 58.060 56.747 1.313 25933 6496 1 13 . 1 1 61 61 SER CB C 61 66.719 66.719 65.190 1.529 25933 6497 1 13 . 1 1 61 61 SER H H 61 7.427 7.427 7.624 -0.197 25933 6498 1 13 . 1 1 62 62 PHE N N 62 123.075 123.075 120.057 3.018 25933 6499 1 13 . 1 1 62 62 PHE HA H 62 4.342 4.342 4.495 -0.153 25933 6500 1 13 . 1 1 62 62 PHE C C 62 174.547 174.547 175.578 -1.031 25933 6501 1 13 . 1 1 62 62 PHE CA C 62 57.701 57.701 55.979 1.722 25933 6502 1 13 . 1 1 62 62 PHE CB C 62 41.207 41.207 40.607 0.600 25933 6503 1 13 . 1 1 62 62 PHE H H 62 8.193 8.193 7.798 0.395 25933 6504 1 13 . 1 1 63 63 CYS N N 63 126.326 126.326 125.225 1.101 25933 6505 1 13 . 1 1 63 63 CYS HA H 63 4.297 4.297 4.527 -0.230 25933 6506 1 13 . 1 1 63 63 CYS C C 63 176.289 176.289 176.295 -0.006 25933 6507 1 13 . 1 1 63 63 CYS CA C 63 61.098 61.098 59.263 1.835 25933 6508 1 13 . 1 1 63 63 CYS CB C 63 29.621 29.621 27.912 1.709 25933 6509 1 13 . 1 1 63 63 CYS H H 63 9.106 9.106 9.030 0.076 25933 6510 1 13 . 1 1 64 64 GLU N N 64 124.601 124.601 129.532 -4.931 25933 6511 1 13 . 1 1 64 64 GLU HA H 64 4.887 4.887 4.712 0.175 25933 6512 1 13 . 1 1 64 64 GLU C C 64 177.682 177.682 176.510 1.172 25933 6513 1 13 . 1 1 64 64 GLU CA C 64 58.619 58.619 57.361 1.258 25933 6514 1 13 . 1 1 64 64 GLU CB C 64 30.567 30.567 29.432 1.135 25933 6515 1 13 . 1 1 64 64 GLU H H 64 8.911 8.911 9.149 -0.238 25933 6516 1 13 . 1 1 65 65 MET N N 65 121.669 121.669 115.734 5.935 25933 6517 1 13 . 1 1 65 65 MET HA H 65 4.536 4.536 4.712 -0.176 25933 6518 1 13 . 1 1 65 65 MET C C 65 173.906 173.906 175.288 -1.382 25933 6519 1 13 . 1 1 65 65 MET CA C 65 56.157 56.157 55.689 0.468 25933 6520 1 13 . 1 1 65 65 MET CB C 65 33.770 33.770 36.241 -2.471 25933 6521 1 13 . 1 1 65 65 MET H H 65 9.972 9.972 7.839 2.133 25933 6522 1 13 . 1 1 66 66 CYS N N 66 127.827 127.827 114.774 13.053 25933 6523 1 13 . 1 1 66 66 CYS HA H 66 3.424 3.424 4.889 -1.465 25933 6524 1 13 . 1 1 66 66 CYS CA C 66 57.581 57.581 56.883 0.698 25933 6525 1 13 . 1 1 66 66 CYS CB C 66 29.900 29.900 28.268 1.631 25933 6526 1 13 . 1 1 66 66 CYS H H 66 8.286 8.286 7.797 0.489 25933 6527 1 13 . 1 1 67 67 PRO HA H 67 4.660 4.660 4.591 0.069 25933 6528 1 13 . 1 1 67 67 PRO C C 67 176.387 176.387 176.101 0.286 25933 6529 1 13 . 1 1 67 67 PRO CA C 67 64.462 64.462 63.431 1.031 25933 6530 1 13 . 1 1 67 67 PRO CB C 67 31.018 31.018 31.263 -0.245 25933 6531 1 13 . 1 1 68 68 SER N N 68 122.983 122.983 117.658 5.325 25933 6532 1 13 . 1 1 68 68 SER HA H 68 5.148 5.148 4.468 0.680 25933 6533 1 13 . 1 1 68 68 SER C C 68 173.421 173.421 173.587 -0.166 25933 6534 1 13 . 1 1 68 68 SER CA C 68 59.799 59.799 58.266 1.533 25933 6535 1 13 . 1 1 68 68 SER CB C 68 64.047 64.047 63.318 0.729 25933 6536 1 13 . 1 1 68 68 SER H H 68 8.864 8.864 7.692 1.172 25933 6537 1 13 . 1 1 69 69 SER N N 69 115.147 115.147 120.876 -5.729 25933 6538 1 13 . 1 1 69 69 SER HA H 69 4.443 4.443 4.579 -0.136 25933 6539 1 13 . 1 1 69 69 SER C C 69 171.436 171.436 172.859 -1.423 25933 6540 1 13 . 1 1 69 69 SER CA C 69 56.585 56.585 57.278 -0.693 25933 6541 1 13 . 1 1 69 69 SER CB C 69 63.959 63.959 64.816 -0.857 25933 6542 1 13 . 1 1 69 69 SER H H 69 7.874 7.874 7.880 -0.006 25933 6543 1 13 . 1 1 70 70 PHE N N 70 112.477 112.477 116.643 -4.166 25933 6544 1 13 . 1 1 70 70 PHE HA H 70 6.052 6.052 5.028 1.024 25933 6545 1 13 . 1 1 70 70 PHE C C 70 176.905 176.905 175.845 1.060 25933 6546 1 13 . 1 1 70 70 PHE CA C 70 57.026 57.026 56.770 0.256 25933 6547 1 13 . 1 1 70 70 PHE CB C 70 45.774 45.774 43.396 2.378 25933 6548 1 13 . 1 1 70 70 PHE H H 70 8.192 8.192 8.502 -0.310 25933 6549 1 13 . 1 1 71 71 CYS N N 71 121.843 121.843 119.240 2.603 25933 6550 1 13 . 1 1 71 71 CYS HA H 71 4.806 4.806 5.028 -0.222 25933 6551 1 13 . 1 1 71 71 CYS C C 71 174.332 174.332 176.047 -1.715 25933 6552 1 13 . 1 1 71 71 CYS CA C 71 58.618 58.618 56.765 1.853 25933 6553 1 13 . 1 1 71 71 CYS CB C 71 30.249 30.249 30.253 -0.004 25933 6554 1 13 . 1 1 71 71 CYS H H 71 9.511 9.511 8.733 0.778 25933 6555 1 13 . 1 1 72 72 LYS N N 72 118.091 118.091 119.773 -1.682 25933 6556 1 13 . 1 1 72 72 LYS HA H 72 3.679 3.679 3.838 -0.159 25933 6557 1 13 . 1 1 72 72 LYS C C 72 177.831 177.831 179.212 -1.381 25933 6558 1 13 . 1 1 72 72 LYS CA C 72 60.445 60.445 59.998 0.447 25933 6559 1 13 . 1 1 72 72 LYS CB C 72 32.277 32.277 32.075 0.202 25933 6560 1 13 . 1 1 72 72 LYS H H 72 8.804 8.804 8.752 0.052 25933 6561 1 13 . 1 1 73 73 GLN N N 73 118.381 118.381 117.057 1.324 25933 6562 1 13 . 1 1 73 73 GLN HA H 73 4.078 4.078 4.123 -0.045 25933 6563 1 13 . 1 1 73 73 GLN C C 73 177.491 177.491 178.087 -0.596 25933 6564 1 13 . 1 1 73 73 GLN CA C 73 57.894 57.894 58.164 -0.270 25933 6565 1 13 . 1 1 73 73 GLN CB C 73 28.754 28.754 29.213 -0.459 25933 6566 1 13 . 1 1 73 73 GLN H H 73 8.139 8.139 7.575 0.564 25933 6567 1 13 . 1 1 74 74 HIS N N 74 117.140 117.140 116.003 1.137 25933 6568 1 13 . 1 1 74 74 HIS HA H 74 5.015 5.015 4.567 0.448 25933 6569 1 13 . 1 1 74 74 HIS C C 74 174.206 174.206 175.665 -1.459 25933 6570 1 13 . 1 1 74 74 HIS CA C 74 57.692 57.692 56.218 1.474 25933 6571 1 13 . 1 1 74 74 HIS CB C 74 32.739 32.739 29.931 2.808 25933 6572 1 13 . 1 1 74 74 HIS H H 74 7.628 7.628 7.428 0.200 25933 6573 1 13 . 1 1 75 75 ARG N N 75 115.977 115.977 116.657 -0.680 25933 6574 1 13 . 1 1 75 75 ARG HA H 75 3.699 3.699 4.190 -0.491 25933 6575 1 13 . 1 1 75 75 ARG C C 75 176.493 176.493 175.845 0.648 25933 6576 1 13 . 1 1 75 75 ARG CA C 75 57.925 57.925 56.975 0.950 25933 6577 1 13 . 1 1 75 75 ARG CB C 75 30.179 30.179 30.974 -0.795 25933 6578 1 13 . 1 1 75 75 ARG H H 75 7.415 7.415 7.554 -0.139 25933 6579 1 13 . 1 1 76 76 GLU N N 76 123.649 123.649 121.523 2.126 25933 6580 1 13 . 1 1 76 76 GLU HA H 76 3.955 3.955 4.094 -0.139 25933 6581 1 13 . 1 1 76 76 GLU C C 76 177.401 177.401 177.211 0.190 25933 6582 1 13 . 1 1 76 76 GLU CA C 76 58.208 58.208 57.583 0.625 25933 6583 1 13 . 1 1 76 76 GLU CB C 76 28.668 28.668 29.321 -0.653 25933 6584 1 13 . 1 1 76 76 GLU H H 76 8.094 8.094 7.296 0.798 25933 6585 1 13 . 1 1 77 77 GLY N N 77 114.787 114.787 114.301 0.486 25933 6586 1 13 . 1 1 77 77 GLY C C 77 174.193 174.193 175.074 -0.881 25933 6587 1 13 . 1 1 77 77 GLY CA C 77 45.502 45.502 46.410 -0.908 25933 6588 1 13 . 1 1 77 77 GLY H H 77 8.831 8.831 8.990 -0.159 25933 6589 1 13 . 1 1 78 78 MET N N 78 115.494 115.494 118.434 -2.940 25933 6590 1 13 . 1 1 78 78 MET HA H 78 4.608 4.608 4.425 0.183 25933 6591 1 13 . 1 1 78 78 MET C C 78 175.808 175.808 175.449 0.359 25933 6592 1 13 . 1 1 78 78 MET CA C 78 53.865 53.865 55.665 -1.800 25933 6593 1 13 . 1 1 78 78 MET CB C 78 33.146 33.146 32.935 0.211 25933 6594 1 13 . 1 1 78 78 MET H H 78 7.320 7.320 7.473 -0.153 25933 6595 1 13 . 1 1 79 79 LEU N N 79 116.112 116.112 119.435 -3.323 25933 6596 1 13 . 1 1 79 79 LEU HA H 79 5.083 5.083 4.715 0.368 25933 6597 1 13 . 1 1 79 79 LEU C C 79 175.580 175.580 174.497 1.083 25933 6598 1 13 . 1 1 79 79 LEU CA C 79 52.710 52.710 53.829 -1.119 25933 6599 1 13 . 1 1 79 79 LEU CB C 79 46.268 46.268 45.435 0.833 25933 6600 1 13 . 1 1 79 79 LEU H H 79 6.783 6.783 7.648 -0.865 25933 6601 1 13 . 1 1 80 80 PHE N N 80 121.484 121.484 120.599 0.885 25933 6602 1 13 . 1 1 80 80 PHE HA H 80 4.773 4.773 4.926 -0.153 25933 6603 1 13 . 1 1 80 80 PHE C C 80 174.354 174.354 173.612 0.742 25933 6604 1 13 . 1 1 80 80 PHE CA C 80 56.225 56.225 55.638 0.587 25933 6605 1 13 . 1 1 80 80 PHE CB C 80 42.377 42.377 41.336 1.041 25933 6606 1 13 . 1 1 80 80 PHE H H 80 9.296 9.296 8.144 1.152 25933 6607 1 13 . 1 1 81 81 ILE N N 81 123.854 123.854 120.207 3.647 25933 6608 1 13 . 1 1 81 81 ILE HA H 81 4.088 4.088 4.400 -0.312 25933 6609 1 13 . 1 1 81 81 ILE C C 81 176.829 176.829 176.159 0.670 25933 6610 1 13 . 1 1 81 81 ILE CA C 81 60.636 60.636 59.908 0.728 25933 6611 1 13 . 1 1 81 81 ILE CB C 81 37.486 37.486 37.399 0.087 25933 6612 1 13 . 1 1 81 81 ILE H H 81 8.798 8.798 8.438 0.360 25933 6613 1 13 . 1 1 82 82 SER N N 82 124.730 124.730 121.899 2.831 25933 6614 1 13 . 1 1 82 82 SER HA H 82 4.530 4.530 4.571 -0.041 25933 6615 1 13 . 1 1 82 82 SER C C 82 177.460 177.460 175.577 1.883 25933 6616 1 13 . 1 1 82 82 SER CA C 82 58.180 58.180 58.597 -0.417 25933 6617 1 13 . 1 1 82 82 SER CB C 82 64.054 64.054 64.552 -0.498 25933 6618 1 13 . 1 1 82 82 SER H H 82 8.898 8.898 8.811 0.087 25933 6619 1 13 . 1 1 83 83 LYS N N 83 129.518 129.518 127.108 2.410 25933 6620 1 13 . 1 1 83 83 LYS HA H 83 4.198 4.198 4.204 -0.006 25933 6621 1 13 . 1 1 83 83 LYS C C 83 177.173 177.173 177.262 -0.089 25933 6622 1 13 . 1 1 83 83 LYS CA C 83 57.848 57.848 58.758 -0.909 25933 6623 1 13 . 1 1 83 83 LYS CB C 83 32.376 32.376 32.541 -0.165 25933 6624 1 13 . 1 1 83 83 LYS H H 83 9.269 9.269 8.766 0.503 25933 6625 1 13 . 1 1 84 84 LEU N N 84 120.539 120.539 119.943 0.596 25933 6626 1 13 . 1 1 84 84 LEU HA H 84 4.284 4.284 4.240 0.044 25933 6627 1 13 . 1 1 84 84 LEU C C 84 178.443 178.443 178.571 -0.128 25933 6628 1 13 . 1 1 84 84 LEU CA C 84 56.827 56.827 57.019 -0.192 25933 6629 1 13 . 1 1 84 84 LEU CB C 84 41.901 41.901 42.562 -0.660 25933 6630 1 13 . 1 1 84 84 LEU H H 84 8.364 8.364 7.796 0.568 25933 6631 1 13 . 1 1 85 85 ASP N N 85 114.333 114.333 115.378 -1.045 25933 6632 1 13 . 1 1 85 85 ASP HA H 85 4.737 4.737 4.782 -0.045 25933 6633 1 13 . 1 1 85 85 ASP C C 85 177.413 177.413 177.450 -0.037 25933 6634 1 13 . 1 1 85 85 ASP CA C 85 53.056 53.056 54.711 -1.655 25933 6635 1 13 . 1 1 85 85 ASP CB C 85 42.065 42.065 42.515 -0.450 25933 6636 1 13 . 1 1 85 85 ASP H H 85 7.326 7.326 8.315 -0.989 25933 6637 1 13 . 1 1 86 86 GLY N N 86 108.607 108.607 108.391 0.216 25933 6638 1 13 . 1 1 86 86 GLY C C 86 174.036 174.036 173.737 0.299 25933 6639 1 13 . 1 1 86 86 GLY CA C 86 46.037 46.037 45.559 0.478 25933 6640 1 13 . 1 1 86 86 GLY H H 86 7.901 7.901 7.781 0.120 25933 6641 1 13 . 1 1 87 87 ARG N N 87 120.598 120.598 119.404 1.194 25933 6642 1 13 . 1 1 87 87 ARG HA H 87 4.345 4.345 4.579 -0.234 25933 6643 1 13 . 1 1 87 87 ARG C C 87 175.968 175.968 176.528 -0.560 25933 6644 1 13 . 1 1 87 87 ARG CA C 87 56.810 56.810 55.212 1.598 25933 6645 1 13 . 1 1 87 87 ARG CB C 87 31.934 31.934 31.511 0.423 25933 6646 1 13 . 1 1 87 87 ARG H H 87 7.948 7.948 7.738 0.210 25933 6647 1 13 . 1 1 88 88 LEU N N 88 126.752 126.752 124.614 2.138 25933 6648 1 13 . 1 1 88 88 LEU HA H 88 4.576 4.576 4.731 -0.155 25933 6649 1 13 . 1 1 88 88 LEU C C 88 176.060 176.060 176.255 -0.195 25933 6650 1 13 . 1 1 88 88 LEU CA C 88 55.558 55.558 55.483 0.075 25933 6651 1 13 . 1 1 88 88 LEU CB C 88 42.815 42.815 42.023 0.792 25933 6652 1 13 . 1 1 88 88 LEU H H 88 8.968 8.968 9.159 -0.191 25933 6653 1 13 . 1 1 89 89 SER N N 89 118.859 118.859 119.376 -0.517 25933 6654 1 13 . 1 1 89 89 SER HA H 89 6.146 6.146 5.112 1.034 25933 6655 1 13 . 1 1 89 89 SER C C 89 174.338 174.338 173.335 1.003 25933 6656 1 13 . 1 1 89 89 SER CA C 89 56.311 56.311 56.350 -0.039 25933 6657 1 13 . 1 1 89 89 SER CB C 89 67.072 67.072 65.752 1.320 25933 6658 1 13 . 1 1 89 89 SER H H 89 9.083 9.083 8.914 0.169 25933 6659 1 13 . 1 1 90 90 CYS N N 90 128.907 128.907 124.572 4.335 25933 6660 1 13 . 1 1 90 90 CYS HA H 90 5.815 5.815 5.388 0.427 25933 6661 1 13 . 1 1 90 90 CYS C C 90 176.386 176.386 177.135 -0.749 25933 6662 1 13 . 1 1 90 90 CYS CA C 90 58.908 58.908 56.071 2.837 25933 6663 1 13 . 1 1 90 90 CYS CB C 90 29.444 29.444 30.420 -0.976 25933 6664 1 13 . 1 1 90 90 CYS H H 90 10.389 10.389 8.327 2.062 25933 6665 1 13 . 1 1 91 91 THR N N 91 108.692 108.692 113.194 -4.502 25933 6666 1 13 . 1 1 91 91 THR HA H 91 4.398 4.398 4.349 0.049 25933 6667 1 13 . 1 1 91 91 THR C C 91 175.912 175.912 174.702 1.210 25933 6668 1 13 . 1 1 91 91 THR CA C 91 63.576 63.576 63.765 -0.189 25933 6669 1 13 . 1 1 91 91 THR CB C 91 69.172 69.172 68.244 0.928 25933 6670 1 13 . 1 1 91 91 THR H H 91 8.435 8.435 8.663 -0.228 25933 6671 1 13 . 1 1 92 92 GLU N N 92 123.418 123.418 119.617 3.801 25933 6672 1 13 . 1 1 92 92 GLU HA H 92 4.280 4.280 4.402 -0.122 25933 6673 1 13 . 1 1 92 92 GLU C C 92 175.937 175.937 176.143 -0.206 25933 6674 1 13 . 1 1 92 92 GLU CA C 92 56.582 56.582 55.850 0.732 25933 6675 1 13 . 1 1 92 92 GLU CB C 92 28.887 28.887 29.375 -0.488 25933 6676 1 13 . 1 1 92 92 GLU H H 92 8.626 8.626 7.591 1.035 25933 6677 1 13 . 1 1 93 93 HIS N N 93 117.178 117.178 118.929 -1.751 25933 6678 1 13 . 1 1 93 93 HIS HA H 93 4.789 4.789 4.843 -0.054 25933 6679 1 13 . 1 1 93 93 HIS C C 93 174.016 174.016 174.235 -0.219 25933 6680 1 13 . 1 1 93 93 HIS CA C 93 54.275 54.275 54.999 -0.724 25933 6681 1 13 . 1 1 93 93 HIS CB C 93 29.373 29.373 30.527 -1.154 25933 6682 1 13 . 1 1 93 93 HIS H H 93 7.244 7.244 7.433 -0.189 25933 6683 1 14 . 1 1 2 2 ALA N N 2 124.503 124.503 124.407 0.096 25933 6684 1 14 . 1 1 2 2 ALA HA H 2 4.337 4.337 4.694 -0.356 25933 6685 1 14 . 1 1 2 2 ALA C C 2 177.688 177.688 177.423 0.265 25933 6686 1 14 . 1 1 2 2 ALA CA C 2 52.598 52.598 52.170 0.428 25933 6687 1 14 . 1 1 2 2 ALA CB C 2 19.375 19.375 19.086 0.289 25933 6688 1 14 . 1 1 2 2 ALA H H 2 8.639 8.639 8.186 0.453 25933 6689 1 14 . 1 1 3 3 MET N N 3 120.183 120.183 120.338 -0.155 25933 6690 1 14 . 1 1 3 3 MET HA H 3 4.402 4.402 4.486 -0.084 25933 6691 1 14 . 1 1 3 3 MET C C 3 176.072 176.072 175.790 0.282 25933 6692 1 14 . 1 1 3 3 MET CA C 3 55.636 55.636 54.669 0.968 25933 6693 1 14 . 1 1 3 3 MET CB C 3 32.936 32.936 30.130 2.806 25933 6694 1 14 . 1 1 3 3 MET H H 3 8.483 8.483 8.220 0.264 25933 6695 1 14 . 1 1 4 4 GLU N N 4 123.573 123.573 123.127 0.446 25933 6696 1 14 . 1 1 4 4 GLU HA H 4 4.255 4.255 4.348 -0.093 25933 6697 1 14 . 1 1 4 4 GLU C C 4 175.719 175.719 175.777 -0.058 25933 6698 1 14 . 1 1 4 4 GLU CA C 4 56.516 56.516 56.385 0.131 25933 6699 1 14 . 1 1 4 4 GLU CB C 4 30.209 30.209 30.852 -0.643 25933 6700 1 14 . 1 1 4 4 GLU H H 4 8.417 8.417 8.383 0.034 25933 6701 1 14 . 1 1 5 5 ARG N N 5 121.879 121.879 118.560 3.319 25933 6702 1 14 . 1 1 5 5 ARG HA H 5 4.327 4.327 4.509 -0.182 25933 6703 1 14 . 1 1 5 5 ARG C C 5 175.991 175.991 175.287 0.704 25933 6704 1 14 . 1 1 5 5 ARG CA C 5 55.879 55.879 54.955 0.925 25933 6705 1 14 . 1 1 5 5 ARG CB C 5 31.336 31.336 30.911 0.425 25933 6706 1 14 . 1 1 5 5 ARG H H 5 8.099 8.099 7.936 0.163 25933 6707 1 14 . 1 1 6 6 GLU N N 6 124.508 124.508 125.044 -0.536 25933 6708 1 14 . 1 1 6 6 GLU HA H 6 4.245 4.245 4.174 0.071 25933 6709 1 14 . 1 1 6 6 GLU C C 6 174.941 174.941 176.123 -1.182 25933 6710 1 14 . 1 1 6 6 GLU CA C 6 56.775 56.775 56.187 0.589 25933 6711 1 14 . 1 1 6 6 GLU CB C 6 30.421 30.421 30.608 -0.187 25933 6712 1 14 . 1 1 6 6 GLU H H 6 8.560 8.560 7.902 0.658 25933 6713 1 14 . 1 1 7 7 ASP N N 7 117.067 117.067 120.250 -3.183 25933 6714 1 14 . 1 1 7 7 ASP HA H 7 4.520 4.520 4.703 -0.183 25933 6715 1 14 . 1 1 7 7 ASP C C 7 174.744 174.744 174.191 0.553 25933 6716 1 14 . 1 1 7 7 ASP CA C 7 53.697 53.697 54.018 -0.321 25933 6717 1 14 . 1 1 7 7 ASP CB C 7 42.222 42.222 40.788 1.434 25933 6718 1 14 . 1 1 7 7 ASP H H 7 8.237 8.237 8.537 -0.300 25933 6719 1 14 . 1 1 8 8 GLU N N 8 116.268 116.268 118.677 -2.409 25933 6720 1 14 . 1 1 8 8 GLU HA H 8 4.083 4.083 4.320 -0.237 25933 6721 1 14 . 1 1 8 8 GLU C C 8 173.257 173.257 174.032 -0.775 25933 6722 1 14 . 1 1 8 8 GLU CA C 8 54.382 54.382 55.522 -1.139 25933 6723 1 14 . 1 1 8 8 GLU CB C 8 32.438 32.438 32.611 -0.173 25933 6724 1 14 . 1 1 8 8 GLU H H 8 7.005 7.005 7.422 -0.417 25933 6725 1 14 . 1 1 9 9 CYS N N 9 124.211 124.211 125.192 -0.981 25933 6726 1 14 . 1 1 9 9 CYS HA H 9 4.157 4.157 4.771 -0.614 25933 6727 1 14 . 1 1 9 9 CYS C C 9 178.384 178.384 175.937 2.447 25933 6728 1 14 . 1 1 9 9 CYS CA C 9 57.640 57.640 57.908 -0.268 25933 6729 1 14 . 1 1 9 9 CYS CB C 9 31.396 31.396 26.419 4.977 25933 6730 1 14 . 1 1 9 9 CYS H H 9 8.220 8.220 8.707 -0.487 25933 6731 1 14 . 1 1 10 10 PHE N N 10 131.759 131.759 128.423 3.336 25933 6732 1 14 . 1 1 10 10 PHE HA H 10 4.695 4.695 4.242 0.453 25933 6733 1 14 . 1 1 10 10 PHE C C 10 176.194 176.194 175.585 0.609 25933 6734 1 14 . 1 1 10 10 PHE CA C 10 55.935 55.935 60.725 -4.790 25933 6735 1 14 . 1 1 10 10 PHE CB C 10 38.279 38.279 39.642 -1.363 25933 6736 1 14 . 1 1 10 10 PHE H H 10 8.765 8.765 8.113 0.652 25933 6737 1 14 . 1 1 11 11 SER N N 11 114.027 114.027 114.273 -0.246 25933 6738 1 14 . 1 1 11 11 SER HA H 11 4.331 4.331 4.198 0.133 25933 6739 1 14 . 1 1 11 11 SER C C 11 175.836 175.836 174.536 1.300 25933 6740 1 14 . 1 1 11 11 SER CA C 11 61.956 61.956 60.432 1.524 25933 6741 1 14 . 1 1 11 11 SER CB C 11 63.774 63.774 63.786 -0.012 25933 6742 1 14 . 1 1 11 11 SER H H 11 8.686 8.686 8.272 0.414 25933 6743 1 14 . 1 1 12 12 CYS N N 12 118.224 118.224 117.232 0.992 25933 6744 1 14 . 1 1 12 12 CYS HA H 12 5.121 5.121 4.789 0.332 25933 6745 1 14 . 1 1 12 12 CYS C C 12 176.817 176.817 175.952 0.865 25933 6746 1 14 . 1 1 12 12 CYS CA C 12 58.693 58.693 59.178 -0.485 25933 6747 1 14 . 1 1 12 12 CYS CB C 12 32.837 32.837 30.299 2.538 25933 6748 1 14 . 1 1 12 12 CYS H H 12 8.195 8.195 7.724 0.471 25933 6749 1 14 . 1 1 13 13 GLY N N 13 114.509 114.509 109.203 5.306 25933 6750 1 14 . 1 1 13 13 GLY C C 13 173.093 173.093 173.523 -0.430 25933 6751 1 14 . 1 1 13 13 GLY CA C 13 46.346 46.346 45.396 0.950 25933 6752 1 14 . 1 1 13 13 GLY H H 13 8.385 8.385 8.505 -0.120 25933 6753 1 14 . 1 1 14 14 ASP N N 14 122.123 122.123 120.646 1.477 25933 6754 1 14 . 1 1 14 14 ASP HA H 14 5.294 5.294 4.833 0.461 25933 6755 1 14 . 1 1 14 14 ASP C C 14 176.111 176.111 174.818 1.293 25933 6756 1 14 . 1 1 14 14 ASP CA C 14 53.304 53.304 53.939 -0.635 25933 6757 1 14 . 1 1 14 14 ASP CB C 14 43.175 43.175 42.954 0.221 25933 6758 1 14 . 1 1 14 14 ASP H H 14 8.512 8.512 7.927 0.585 25933 6759 1 14 . 1 1 15 15 ALA N N 15 123.765 123.765 122.636 1.129 25933 6760 1 14 . 1 1 15 15 ALA HA H 15 4.679 4.679 4.671 0.008 25933 6761 1 14 . 1 1 15 15 ALA C C 15 177.375 177.375 176.647 0.728 25933 6762 1 14 . 1 1 15 15 ALA CA C 15 51.216 51.216 51.549 -0.333 25933 6763 1 14 . 1 1 15 15 ALA CB C 15 19.842 19.842 20.950 -1.108 25933 6764 1 14 . 1 1 15 15 ALA H H 15 8.538 8.538 8.347 0.191 25933 6765 1 14 . 1 1 16 16 GLY N N 16 108.898 108.898 110.660 -1.762 25933 6766 1 14 . 1 1 16 16 GLY C C 16 172.132 172.132 173.662 -1.530 25933 6767 1 14 . 1 1 16 16 GLY CA C 16 45.320 45.320 46.063 -0.743 25933 6768 1 14 . 1 1 16 16 GLY H H 16 8.304 8.304 8.109 0.195 25933 6769 1 14 . 1 1 17 17 GLN N N 17 125.473 125.473 124.164 1.309 25933 6770 1 14 . 1 1 17 17 GLN HA H 17 4.359 4.359 4.484 -0.125 25933 6771 1 14 . 1 1 17 17 GLN C C 17 175.263 175.263 174.890 0.373 25933 6772 1 14 . 1 1 17 17 GLN CA C 17 55.779 55.779 55.187 0.592 25933 6773 1 14 . 1 1 17 17 GLN CB C 17 27.927 27.927 28.130 -0.203 25933 6774 1 14 . 1 1 17 17 GLN H H 17 8.887 8.887 8.510 0.377 25933 6775 1 14 . 1 1 18 18 LEU N N 18 127.246 127.246 125.815 1.431 25933 6776 1 14 . 1 1 18 18 LEU HA H 18 4.714 4.714 5.052 -0.338 25933 6777 1 14 . 1 1 18 18 LEU C C 18 177.078 177.078 176.211 0.867 25933 6778 1 14 . 1 1 18 18 LEU CA C 18 53.755 53.755 53.525 0.230 25933 6779 1 14 . 1 1 18 18 LEU CB C 18 44.191 44.191 43.656 0.535 25933 6780 1 14 . 1 1 18 18 LEU H H 18 8.322 8.322 8.011 0.311 25933 6781 1 14 . 1 1 19 19 VAL N N 19 121.280 121.280 123.398 -2.118 25933 6782 1 14 . 1 1 19 19 VAL HA H 19 4.547 4.547 4.377 0.170 25933 6783 1 14 . 1 1 19 19 VAL C C 19 175.238 175.238 174.250 0.988 25933 6784 1 14 . 1 1 19 19 VAL CA C 19 59.975 59.975 59.926 0.049 25933 6785 1 14 . 1 1 19 19 VAL CB C 19 33.809 33.809 34.283 -0.474 25933 6786 1 14 . 1 1 19 19 VAL H H 19 9.789 9.789 9.116 0.673 25933 6787 1 14 . 1 1 20 20 SER N N 20 118.562 118.562 122.836 -4.274 25933 6788 1 14 . 1 1 20 20 SER HA H 20 5.062 5.062 4.624 0.438 25933 6789 1 14 . 1 1 20 20 SER C C 20 174.439 174.439 174.143 0.296 25933 6790 1 14 . 1 1 20 20 SER CA C 20 57.132 57.132 57.333 -0.201 25933 6791 1 14 . 1 1 20 20 SER CB C 20 64.811 64.811 64.278 0.533 25933 6792 1 14 . 1 1 20 20 SER H H 20 8.638 8.638 8.415 0.223 25933 6793 1 14 . 1 1 21 21 CYS N N 21 125.432 125.432 125.260 0.172 25933 6794 1 14 . 1 1 21 21 CYS HA H 21 4.311 4.311 4.526 -0.215 25933 6795 1 14 . 1 1 21 21 CYS CA C 21 61.656 61.656 59.294 2.362 25933 6796 1 14 . 1 1 21 21 CYS CB C 21 31.029 31.029 28.017 3.012 25933 6797 1 14 . 1 1 21 21 CYS H H 21 8.132 8.132 8.508 -0.376 25933 6798 1 14 . 1 1 22 22 LYS N N 22 125.587 125.587 126.588 -1.001 25933 6799 1 14 . 1 1 22 22 LYS HA H 22 4.648 4.648 4.377 0.271 25933 6800 1 14 . 1 1 22 22 LYS C C 22 177.460 177.460 176.167 1.293 25933 6801 1 14 . 1 1 22 22 LYS H H 22 8.294 8.294 9.126 -0.832 25933 6802 1 14 . 1 1 23 23 LYS N N 23 130.703 130.703 121.093 9.610 25933 6803 1 14 . 1 1 23 23 LYS HA H 23 4.385 4.385 4.766 -0.381 25933 6804 1 14 . 1 1 23 23 LYS CA C 23 55.222 55.222 52.542 2.680 25933 6805 1 14 . 1 1 23 23 LYS CB C 23 33.949 33.949 33.906 0.043 25933 6806 1 14 . 1 1 23 23 LYS H H 23 9.496 9.496 7.564 1.932 25933 6807 1 14 . 1 1 24 24 PRO HA H 24 4.198 4.198 4.209 -0.011 25933 6808 1 14 . 1 1 24 24 PRO C C 24 177.835 177.835 177.307 0.528 25933 6809 1 14 . 1 1 24 24 PRO CA C 24 64.454 64.454 63.746 0.708 25933 6810 1 14 . 1 1 24 24 PRO CB C 24 31.420 31.420 31.482 -0.062 25933 6811 1 14 . 1 1 25 25 GLY N N 25 114.246 114.246 111.522 2.724 25933 6812 1 14 . 1 1 25 25 GLY C C 25 173.630 173.630 174.121 -0.491 25933 6813 1 14 . 1 1 25 25 GLY CA C 25 45.200 45.200 44.864 0.336 25933 6814 1 14 . 1 1 25 25 GLY H H 25 8.823 8.823 9.371 -0.548 25933 6815 1 14 . 1 1 26 26 CYS N N 26 126.002 126.002 121.027 4.975 25933 6816 1 14 . 1 1 26 26 CYS HA H 26 5.014 5.014 4.919 0.095 25933 6817 1 14 . 1 1 26 26 CYS CA C 26 56.747 56.747 55.646 1.101 25933 6818 1 14 . 1 1 26 26 CYS CB C 26 32.711 32.711 27.891 4.820 25933 6819 1 14 . 1 1 26 26 CYS H H 26 8.076 8.076 7.677 0.399 25933 6820 1 14 . 1 1 27 27 PRO HA H 27 4.802 4.802 4.978 -0.176 25933 6821 1 14 . 1 1 27 27 PRO C C 27 175.970 175.970 176.119 -0.149 25933 6822 1 14 . 1 1 27 27 PRO CA C 27 63.334 63.334 62.722 0.612 25933 6823 1 14 . 1 1 27 27 PRO CB C 27 32.920 32.920 32.032 0.888 25933 6824 1 14 . 1 1 28 28 LYS N N 28 121.413 121.413 120.512 0.901 25933 6825 1 14 . 1 1 28 28 LYS HA H 28 3.889 3.889 4.165 -0.276 25933 6826 1 14 . 1 1 28 28 LYS C C 28 175.961 175.961 174.812 1.149 25933 6827 1 14 . 1 1 28 28 LYS CA C 28 55.327 55.327 55.948 -0.621 25933 6828 1 14 . 1 1 28 28 LYS CB C 28 32.132 32.132 33.044 -0.912 25933 6829 1 14 . 1 1 28 28 LYS H H 28 8.353 8.353 7.348 1.005 25933 6830 1 14 . 1 1 29 29 VAL N N 29 115.183 115.183 121.939 -6.756 25933 6831 1 14 . 1 1 29 29 VAL HA H 29 5.286 5.286 4.325 0.961 25933 6832 1 14 . 1 1 29 29 VAL C C 29 174.480 174.480 173.234 1.246 25933 6833 1 14 . 1 1 29 29 VAL CA C 29 58.616 58.616 60.217 -1.601 25933 6834 1 14 . 1 1 29 29 VAL CB C 29 35.526 35.526 34.890 0.636 25933 6835 1 14 . 1 1 29 29 VAL H H 29 8.346 8.346 7.684 0.662 25933 6836 1 14 . 1 1 30 30 TYR N N 30 114.639 114.639 121.497 -6.858 25933 6837 1 14 . 1 1 30 30 TYR HA H 30 5.821 5.821 4.744 1.077 25933 6838 1 14 . 1 1 30 30 TYR C C 30 177.221 177.221 174.578 2.643 25933 6839 1 14 . 1 1 30 30 TYR CA C 30 56.989 56.989 56.016 0.973 25933 6840 1 14 . 1 1 30 30 TYR CB C 30 45.110 45.110 42.293 2.817 25933 6841 1 14 . 1 1 30 30 TYR H H 30 8.792 8.792 8.408 0.384 25933 6842 1 14 . 1 1 31 31 HIS N N 31 121.470 121.470 119.192 2.278 25933 6843 1 14 . 1 1 31 31 HIS HA H 31 4.890 4.890 5.159 -0.269 25933 6844 1 14 . 1 1 31 31 HIS C C 31 177.595 177.595 176.325 1.270 25933 6845 1 14 . 1 1 31 31 HIS CA C 31 58.141 58.141 55.714 2.427 25933 6846 1 14 . 1 1 31 31 HIS CB C 31 30.737 30.737 30.718 0.019 25933 6847 1 14 . 1 1 31 31 HIS H H 31 9.164 9.164 8.270 0.894 25933 6848 1 14 . 1 1 32 32 ALA N N 32 129.786 129.786 126.577 3.209 25933 6849 1 14 . 1 1 32 32 ALA HA H 32 3.829 3.829 3.931 -0.102 25933 6850 1 14 . 1 1 32 32 ALA C C 32 180.494 180.494 178.458 2.036 25933 6851 1 14 . 1 1 32 32 ALA CA C 32 56.044 56.044 55.690 0.354 25933 6852 1 14 . 1 1 32 32 ALA CB C 32 17.179 17.179 18.657 -1.478 25933 6853 1 14 . 1 1 32 32 ALA H H 32 9.768 9.768 8.510 1.258 25933 6854 1 14 . 1 1 33 33 ASP N N 33 114.332 114.332 119.029 -4.697 25933 6855 1 14 . 1 1 33 33 ASP HA H 33 4.521 4.521 4.391 0.130 25933 6856 1 14 . 1 1 33 33 ASP C C 33 179.006 179.006 178.189 0.817 25933 6857 1 14 . 1 1 33 33 ASP CA C 33 56.541 56.541 57.434 -0.893 25933 6858 1 14 . 1 1 33 33 ASP CB C 33 40.316 40.316 40.567 -0.251 25933 6859 1 14 . 1 1 33 33 ASP H H 33 8.832 8.832 8.618 0.214 25933 6860 1 14 . 1 1 34 34 CYS N N 34 119.035 119.035 115.376 3.659 25933 6861 1 14 . 1 1 34 34 CYS HA H 34 4.224 4.224 4.576 -0.352 25933 6862 1 14 . 1 1 34 34 CYS C C 34 175.978 175.978 176.393 -0.415 25933 6863 1 14 . 1 1 34 34 CYS CA C 34 63.491 63.491 59.006 4.485 25933 6864 1 14 . 1 1 34 34 CYS CB C 34 28.925 28.925 26.691 2.235 25933 6865 1 14 . 1 1 34 34 CYS H H 34 7.364 7.364 8.475 -1.111 25933 6866 1 14 . 1 1 35 35 LEU N N 35 118.363 118.363 119.658 -1.295 25933 6867 1 14 . 1 1 35 35 LEU HA H 35 4.404 4.404 4.454 -0.050 25933 6868 1 14 . 1 1 35 35 LEU C C 35 176.327 176.327 176.421 -0.094 25933 6869 1 14 . 1 1 35 35 LEU CA C 35 53.966 53.966 54.332 -0.366 25933 6870 1 14 . 1 1 35 35 LEU CB C 35 42.982 42.982 42.195 0.787 25933 6871 1 14 . 1 1 35 35 LEU H H 35 7.135 7.135 7.560 -0.425 25933 6872 1 14 . 1 1 36 36 ASN N N 36 116.501 116.501 116.919 -0.418 25933 6873 1 14 . 1 1 36 36 ASN HA H 36 4.461 4.461 4.450 0.011 25933 6874 1 14 . 1 1 36 36 ASN C C 36 175.075 175.075 175.045 0.030 25933 6875 1 14 . 1 1 36 36 ASN CA C 36 54.055 54.055 54.117 -0.062 25933 6876 1 14 . 1 1 36 36 ASN CB C 36 37.552 37.552 37.574 -0.022 25933 6877 1 14 . 1 1 36 36 ASN H H 36 7.974 7.974 7.878 0.096 25933 6878 1 14 . 1 1 37 37 LEU N N 37 119.139 119.139 120.240 -1.101 25933 6879 1 14 . 1 1 37 37 LEU HA H 37 4.472 4.472 4.456 0.016 25933 6880 1 14 . 1 1 37 37 LEU C C 37 178.114 178.114 176.888 1.226 25933 6881 1 14 . 1 1 37 37 LEU CA C 37 54.421 54.421 54.507 -0.086 25933 6882 1 14 . 1 1 37 37 LEU CB C 37 42.937 42.937 39.767 3.170 25933 6883 1 14 . 1 1 37 37 LEU H H 37 7.953 7.953 8.539 -0.586 25933 6884 1 14 . 1 1 38 38 THR N N 38 113.698 113.698 116.156 -2.458 25933 6885 1 14 . 1 1 38 38 THR HA H 38 4.224 4.224 4.143 0.082 25933 6886 1 14 . 1 1 38 38 THR C C 38 174.325 174.325 174.958 -0.633 25933 6887 1 14 . 1 1 38 38 THR CA C 38 62.608 62.608 64.466 -1.857 25933 6888 1 14 . 1 1 38 38 THR CB C 38 69.163 69.163 69.126 0.037 25933 6889 1 14 . 1 1 38 38 THR H H 38 8.465 8.465 7.801 0.664 25933 6890 1 14 . 1 1 39 39 LYS N N 39 120.070 120.070 122.123 -2.053 25933 6891 1 14 . 1 1 39 39 LYS HA H 39 4.383 4.383 4.400 -0.017 25933 6892 1 14 . 1 1 39 39 LYS C C 39 175.570 175.570 175.380 0.190 25933 6893 1 14 . 1 1 39 39 LYS CA C 39 54.864 54.864 55.983 -1.119 25933 6894 1 14 . 1 1 39 39 LYS CB C 39 34.079 34.079 33.470 0.609 25933 6895 1 14 . 1 1 39 39 LYS H H 39 7.595 7.595 8.071 -0.476 25933 6896 1 14 . 1 1 40 40 ARG N N 40 123.383 123.383 124.209 -0.826 25933 6897 1 14 . 1 1 40 40 ARG HA H 40 4.163 4.163 4.465 -0.302 25933 6898 1 14 . 1 1 40 40 ARG CA C 40 54.474 54.474 54.000 0.474 25933 6899 1 14 . 1 1 40 40 ARG CB C 40 29.745 29.745 29.584 0.161 25933 6900 1 14 . 1 1 40 40 ARG H H 40 8.372 8.372 8.354 0.018 25933 6901 1 14 . 1 1 41 41 PRO HA H 41 4.081 4.081 4.444 -0.363 25933 6902 1 14 . 1 1 41 41 PRO C C 41 176.215 176.215 175.942 0.273 25933 6903 1 14 . 1 1 41 41 PRO CA C 41 63.151 63.151 62.876 0.275 25933 6904 1 14 . 1 1 41 41 PRO CB C 41 32.154 32.154 32.213 -0.059 25933 6905 1 14 . 1 1 42 42 ALA N N 42 126.233 126.233 125.090 1.143 25933 6906 1 14 . 1 1 42 42 ALA HA H 42 4.447 4.447 4.514 -0.067 25933 6907 1 14 . 1 1 42 42 ALA C C 42 177.947 177.947 177.394 0.553 25933 6908 1 14 . 1 1 42 42 ALA CA C 42 51.741 51.741 51.391 0.350 25933 6909 1 14 . 1 1 42 42 ALA CB C 42 20.295 20.295 20.373 -0.078 25933 6910 1 14 . 1 1 42 42 ALA H H 42 8.368 8.368 8.195 0.173 25933 6911 1 14 . 1 1 43 43 GLY N N 43 108.071 108.071 111.870 -3.799 25933 6912 1 14 . 1 1 43 43 GLY C C 43 174.630 174.630 173.779 0.851 25933 6913 1 14 . 1 1 43 43 GLY CA C 43 45.871 45.871 44.973 0.898 25933 6914 1 14 . 1 1 43 43 GLY H H 43 8.499 8.499 8.472 0.027 25933 6915 1 14 . 1 1 44 44 LYS N N 44 123.859 123.859 125.375 -1.516 25933 6916 1 14 . 1 1 44 44 LYS HA H 44 4.325 4.325 4.433 -0.108 25933 6917 1 14 . 1 1 44 44 LYS CA C 44 56.012 56.012 55.970 0.042 25933 6918 1 14 . 1 1 44 44 LYS CB C 44 31.307 31.307 32.795 -1.488 25933 6919 1 14 . 1 1 44 44 LYS H H 44 8.485 8.485 8.445 0.040 25933 6920 1 14 . 1 1 45 45 TRP N N 45 124.364 124.364 128.979 -4.615 25933 6921 1 14 . 1 1 45 45 TRP HA H 45 4.317 4.317 4.881 -0.564 25933 6922 1 14 . 1 1 45 45 TRP CA C 45 58.972 58.972 56.579 2.393 25933 6923 1 14 . 1 1 45 45 TRP CB C 45 29.468 29.468 31.558 -2.090 25933 6924 1 14 . 1 1 45 45 TRP H H 45 7.419 7.419 8.525 -1.106 25933 6925 1 14 . 1 1 46 46 GLU N N 46 124.890 124.890 127.314 -2.424 25933 6926 1 14 . 1 1 46 46 GLU HA H 46 4.623 4.623 4.402 0.221 25933 6927 1 14 . 1 1 46 46 GLU CA C 46 53.864 53.864 54.480 -0.616 25933 6928 1 14 . 1 1 46 46 GLU H H 46 7.623 7.623 8.147 -0.524 25933 6929 1 14 . 1 1 47 47 CYS N N 47 130.384 130.384 122.089 8.295 25933 6930 1 14 . 1 1 47 47 CYS HA H 47 4.623 4.623 3.761 0.862 25933 6931 1 14 . 1 1 47 47 CYS H H 47 9.574 9.574 7.917 1.657 25933 6932 1 14 . 1 1 48 48 PRO HA H 48 4.704 4.704 4.203 0.501 25933 6933 1 14 . 1 1 48 48 PRO C C 48 177.973 177.973 177.741 0.232 25933 6934 1 14 . 1 1 48 48 PRO CA C 48 64.380 64.380 64.560 -0.180 25933 6935 1 14 . 1 1 48 48 PRO CB C 48 31.545 31.545 31.528 0.017 25933 6936 1 14 . 1 1 49 49 TRP N N 49 124.314 124.314 119.348 4.966 25933 6937 1 14 . 1 1 49 49 TRP HA H 49 5.248 5.248 4.605 0.643 25933 6938 1 14 . 1 1 49 49 TRP C C 49 179.054 179.054 175.395 3.659 25933 6939 1 14 . 1 1 49 49 TRP CA C 49 56.304 56.304 57.750 -1.446 25933 6940 1 14 . 1 1 49 49 TRP CB C 49 31.375 31.375 28.219 3.156 25933 6941 1 14 . 1 1 49 49 TRP H H 49 8.504 8.504 7.921 0.583 25933 6942 1 14 . 1 1 50 50 HIS N N 50 110.531 110.531 113.274 -2.743 25933 6943 1 14 . 1 1 50 50 HIS HA H 50 4.479 4.479 4.758 -0.279 25933 6944 1 14 . 1 1 50 50 HIS C C 50 175.070 175.070 174.777 0.293 25933 6945 1 14 . 1 1 50 50 HIS CA C 50 56.068 56.068 54.863 1.205 25933 6946 1 14 . 1 1 50 50 HIS CB C 50 28.267 28.267 30.416 -2.149 25933 6947 1 14 . 1 1 50 50 HIS H H 50 7.178 7.178 7.651 -0.473 25933 6948 1 14 . 1 1 51 51 GLN N N 51 118.176 118.176 118.561 -0.385 25933 6949 1 14 . 1 1 51 51 GLN HA H 51 4.638 4.638 5.079 -0.441 25933 6950 1 14 . 1 1 51 51 GLN C C 51 172.785 172.785 174.795 -2.010 25933 6951 1 14 . 1 1 51 51 GLN CA C 51 54.266 54.266 53.649 0.617 25933 6952 1 14 . 1 1 51 51 GLN CB C 51 30.779 30.779 31.289 -0.510 25933 6953 1 14 . 1 1 51 51 GLN H H 51 7.243 7.243 7.739 -0.496 25933 6954 1 14 . 1 1 52 52 CYS N N 52 123.532 123.532 126.277 -2.745 25933 6955 1 14 . 1 1 52 52 CYS HA H 52 4.049 4.049 4.567 -0.518 25933 6956 1 14 . 1 1 52 52 CYS C C 52 177.807 177.807 176.232 1.575 25933 6957 1 14 . 1 1 52 52 CYS CA C 52 58.257 58.257 59.184 -0.927 25933 6958 1 14 . 1 1 52 52 CYS CB C 52 31.165 31.165 27.358 3.807 25933 6959 1 14 . 1 1 52 52 CYS H H 52 9.344 9.344 9.182 0.162 25933 6960 1 14 . 1 1 53 53 ASP N N 53 134.328 134.328 128.946 5.382 25933 6961 1 14 . 1 1 53 53 ASP HA H 53 4.190 4.190 4.412 -0.222 25933 6962 1 14 . 1 1 53 53 ASP C C 53 176.732 176.732 176.497 0.235 25933 6963 1 14 . 1 1 53 53 ASP CA C 53 57.384 57.384 56.786 0.598 25933 6964 1 14 . 1 1 53 53 ASP CB C 53 41.122 41.122 40.983 0.139 25933 6965 1 14 . 1 1 53 53 ASP H H 53 9.185 9.185 8.907 0.278 25933 6966 1 14 . 1 1 54 54 VAL N N 54 119.653 119.653 119.696 -0.043 25933 6967 1 14 . 1 1 54 54 VAL HA H 54 3.877 3.877 4.004 -0.127 25933 6968 1 14 . 1 1 54 54 VAL C C 54 177.243 177.243 176.812 0.431 25933 6969 1 14 . 1 1 54 54 VAL CA C 54 65.092 65.092 64.790 0.302 25933 6970 1 14 . 1 1 54 54 VAL CB C 54 33.012 33.012 32.431 0.581 25933 6971 1 14 . 1 1 54 54 VAL H H 54 8.796 8.796 8.020 0.776 25933 6972 1 14 . 1 1 55 55 CYS N N 55 115.992 115.992 115.451 0.541 25933 6973 1 14 . 1 1 55 55 CYS HA H 55 5.112 5.112 4.976 0.136 25933 6974 1 14 . 1 1 55 55 CYS C C 55 176.818 176.818 176.236 0.582 25933 6975 1 14 . 1 1 55 55 CYS CA C 55 58.337 58.337 58.028 0.309 25933 6976 1 14 . 1 1 55 55 CYS CB C 55 34.324 34.324 29.802 4.522 25933 6977 1 14 . 1 1 55 55 CYS H H 55 7.604 7.604 8.146 -0.542 25933 6978 1 14 . 1 1 56 56 GLY N N 56 114.227 114.227 111.095 3.132 25933 6979 1 14 . 1 1 56 56 GLY C C 56 173.824 173.824 173.919 -0.095 25933 6980 1 14 . 1 1 56 56 GLY CA C 56 46.409 46.409 45.742 0.667 25933 6981 1 14 . 1 1 56 56 GLY H H 56 8.548 8.548 8.825 -0.277 25933 6982 1 14 . 1 1 57 57 LYS N N 57 122.126 122.126 119.802 2.324 25933 6983 1 14 . 1 1 57 57 LYS HA H 57 4.412 4.412 4.445 -0.033 25933 6984 1 14 . 1 1 57 57 LYS C C 57 175.055 175.055 175.772 -0.717 25933 6985 1 14 . 1 1 57 57 LYS CA C 57 56.717 56.717 55.378 1.339 25933 6986 1 14 . 1 1 57 57 LYS CB C 57 33.143 33.143 33.876 -0.733 25933 6987 1 14 . 1 1 57 57 LYS H H 57 8.314 8.314 7.451 0.863 25933 6988 1 14 . 1 1 58 58 GLU N N 58 120.782 120.782 119.990 0.792 25933 6989 1 14 . 1 1 58 58 GLU HA H 58 4.153 4.153 4.239 -0.086 25933 6990 1 14 . 1 1 58 58 GLU C C 58 176.662 176.662 175.988 0.674 25933 6991 1 14 . 1 1 58 58 GLU CA C 58 57.913 57.913 57.263 0.650 25933 6992 1 14 . 1 1 58 58 GLU CB C 58 29.825 29.825 30.176 -0.351 25933 6993 1 14 . 1 1 58 58 GLU H H 58 8.502 8.502 8.585 -0.083 25933 6994 1 14 . 1 1 59 59 ALA N N 59 127.052 127.052 128.124 -1.072 25933 6995 1 14 . 1 1 59 59 ALA HA H 59 3.402 3.402 4.487 -1.085 25933 6996 1 14 . 1 1 59 59 ALA C C 59 175.529 175.529 175.918 -0.389 25933 6997 1 14 . 1 1 59 59 ALA CA C 59 52.238 52.238 51.474 0.763 25933 6998 1 14 . 1 1 59 59 ALA CB C 59 19.006 19.006 20.105 -1.099 25933 6999 1 14 . 1 1 59 59 ALA H H 59 7.812 7.812 8.374 -0.562 25933 7000 1 14 . 1 1 60 60 ALA N N 60 122.703 122.703 124.445 -1.742 25933 7001 1 14 . 1 1 60 60 ALA HA H 60 4.473 4.473 4.487 -0.014 25933 7002 1 14 . 1 1 60 60 ALA C C 60 176.087 176.087 176.742 -0.655 25933 7003 1 14 . 1 1 60 60 ALA CA C 60 51.930 51.930 52.377 -0.447 25933 7004 1 14 . 1 1 60 60 ALA CB C 60 23.146 23.146 20.536 2.610 25933 7005 1 14 . 1 1 60 60 ALA H H 60 8.356 8.356 8.601 -0.245 25933 7006 1 14 . 1 1 61 61 SER N N 61 114.279 114.279 114.363 -0.084 25933 7007 1 14 . 1 1 61 61 SER HA H 61 4.637 4.637 4.162 0.475 25933 7008 1 14 . 1 1 61 61 SER C C 61 171.865 171.865 172.606 -0.741 25933 7009 1 14 . 1 1 61 61 SER CA C 61 58.060 58.060 56.700 1.360 25933 7010 1 14 . 1 1 61 61 SER CB C 61 66.719 66.719 65.129 1.590 25933 7011 1 14 . 1 1 61 61 SER H H 61 7.427 7.427 7.712 -0.285 25933 7012 1 14 . 1 1 62 62 PHE N N 62 123.075 123.075 119.726 3.349 25933 7013 1 14 . 1 1 62 62 PHE HA H 62 4.342 4.342 4.458 -0.116 25933 7014 1 14 . 1 1 62 62 PHE C C 62 174.547 174.547 175.501 -0.954 25933 7015 1 14 . 1 1 62 62 PHE CA C 62 57.701 57.701 55.995 1.706 25933 7016 1 14 . 1 1 62 62 PHE CB C 62 41.207 41.207 40.989 0.218 25933 7017 1 14 . 1 1 62 62 PHE H H 62 8.193 8.193 7.786 0.407 25933 7018 1 14 . 1 1 63 63 CYS N N 63 126.326 126.326 125.232 1.094 25933 7019 1 14 . 1 1 63 63 CYS HA H 63 4.297 4.297 4.586 -0.289 25933 7020 1 14 . 1 1 63 63 CYS C C 63 176.289 176.289 176.364 -0.075 25933 7021 1 14 . 1 1 63 63 CYS CA C 63 61.098 61.098 58.764 2.334 25933 7022 1 14 . 1 1 63 63 CYS CB C 63 29.621 29.621 27.795 1.826 25933 7023 1 14 . 1 1 63 63 CYS H H 63 9.106 9.106 8.794 0.312 25933 7024 1 14 . 1 1 64 64 GLU N N 64 124.601 124.601 129.408 -4.807 25933 7025 1 14 . 1 1 64 64 GLU HA H 64 4.887 4.887 4.683 0.204 25933 7026 1 14 . 1 1 64 64 GLU C C 64 177.682 177.682 176.803 0.879 25933 7027 1 14 . 1 1 64 64 GLU CA C 64 58.619 58.619 57.294 1.325 25933 7028 1 14 . 1 1 64 64 GLU CB C 64 30.567 30.567 29.770 0.797 25933 7029 1 14 . 1 1 64 64 GLU H H 64 8.911 8.911 9.081 -0.170 25933 7030 1 14 . 1 1 65 65 MET N N 65 121.669 121.669 116.425 5.244 25933 7031 1 14 . 1 1 65 65 MET HA H 65 4.536 4.536 4.823 -0.287 25933 7032 1 14 . 1 1 65 65 MET C C 65 173.906 173.906 175.445 -1.539 25933 7033 1 14 . 1 1 65 65 MET CA C 65 56.157 56.157 55.584 0.573 25933 7034 1 14 . 1 1 65 65 MET CB C 65 33.770 33.770 35.730 -1.960 25933 7035 1 14 . 1 1 65 65 MET H H 65 9.972 9.972 7.835 2.137 25933 7036 1 14 . 1 1 66 66 CYS N N 66 127.827 127.827 114.427 13.400 25933 7037 1 14 . 1 1 66 66 CYS HA H 66 3.424 3.424 4.936 -1.512 25933 7038 1 14 . 1 1 66 66 CYS CA C 66 57.581 57.581 57.094 0.487 25933 7039 1 14 . 1 1 66 66 CYS CB C 66 29.900 29.900 28.180 1.720 25933 7040 1 14 . 1 1 66 66 CYS H H 66 8.286 8.286 7.789 0.497 25933 7041 1 14 . 1 1 67 67 PRO HA H 67 4.660 4.660 4.377 0.283 25933 7042 1 14 . 1 1 67 67 PRO C C 67 176.387 176.387 176.026 0.361 25933 7043 1 14 . 1 1 67 67 PRO CA C 67 64.462 64.462 63.374 1.088 25933 7044 1 14 . 1 1 67 67 PRO CB C 67 31.018 31.018 31.235 -0.218 25933 7045 1 14 . 1 1 68 68 SER N N 68 122.983 122.983 117.149 5.834 25933 7046 1 14 . 1 1 68 68 SER HA H 68 5.148 5.148 4.389 0.759 25933 7047 1 14 . 1 1 68 68 SER C C 68 173.421 173.421 173.229 0.192 25933 7048 1 14 . 1 1 68 68 SER CA C 68 59.799 59.799 58.417 1.382 25933 7049 1 14 . 1 1 68 68 SER CB C 68 64.047 64.047 63.581 0.466 25933 7050 1 14 . 1 1 68 68 SER H H 68 8.864 8.864 7.738 1.126 25933 7051 1 14 . 1 1 69 69 SER N N 69 115.147 115.147 120.520 -5.373 25933 7052 1 14 . 1 1 69 69 SER HA H 69 4.443 4.443 4.774 -0.331 25933 7053 1 14 . 1 1 69 69 SER C C 69 171.436 171.436 172.616 -1.180 25933 7054 1 14 . 1 1 69 69 SER CA C 69 56.585 56.585 56.583 0.002 25933 7055 1 14 . 1 1 69 69 SER CB C 69 63.959 63.959 65.624 -1.665 25933 7056 1 14 . 1 1 69 69 SER H H 69 7.874 7.874 8.003 -0.129 25933 7057 1 14 . 1 1 70 70 PHE N N 70 112.477 112.477 116.834 -4.357 25933 7058 1 14 . 1 1 70 70 PHE HA H 70 6.052 6.052 5.034 1.018 25933 7059 1 14 . 1 1 70 70 PHE C C 70 176.905 176.905 175.885 1.020 25933 7060 1 14 . 1 1 70 70 PHE CA C 70 57.026 57.026 56.816 0.211 25933 7061 1 14 . 1 1 70 70 PHE CB C 70 45.774 45.774 43.582 2.192 25933 7062 1 14 . 1 1 70 70 PHE H H 70 8.192 8.192 8.514 -0.322 25933 7063 1 14 . 1 1 71 71 CYS N N 71 121.843 121.843 119.652 2.191 25933 7064 1 14 . 1 1 71 71 CYS HA H 71 4.806 4.806 4.912 -0.106 25933 7065 1 14 . 1 1 71 71 CYS C C 71 174.332 174.332 175.929 -1.597 25933 7066 1 14 . 1 1 71 71 CYS CA C 71 58.618 58.618 56.912 1.706 25933 7067 1 14 . 1 1 71 71 CYS CB C 71 30.249 30.249 30.169 0.080 25933 7068 1 14 . 1 1 71 71 CYS H H 71 9.511 9.511 8.739 0.772 25933 7069 1 14 . 1 1 72 72 LYS N N 72 118.091 118.091 118.975 -0.884 25933 7070 1 14 . 1 1 72 72 LYS HA H 72 3.679 3.679 3.870 -0.191 25933 7071 1 14 . 1 1 72 72 LYS C C 72 177.831 177.831 178.992 -1.161 25933 7072 1 14 . 1 1 72 72 LYS CA C 72 60.445 60.445 59.803 0.642 25933 7073 1 14 . 1 1 72 72 LYS CB C 72 32.277 32.277 32.087 0.190 25933 7074 1 14 . 1 1 72 72 LYS H H 72 8.804 8.804 8.616 0.188 25933 7075 1 14 . 1 1 73 73 GLN N N 73 118.381 118.381 117.110 1.271 25933 7076 1 14 . 1 1 73 73 GLN HA H 73 4.078 4.078 4.074 0.004 25933 7077 1 14 . 1 1 73 73 GLN C C 73 177.491 177.491 178.505 -1.014 25933 7078 1 14 . 1 1 73 73 GLN CA C 73 57.894 57.894 57.980 -0.086 25933 7079 1 14 . 1 1 73 73 GLN CB C 73 28.754 28.754 28.615 0.139 25933 7080 1 14 . 1 1 73 73 GLN H H 73 8.139 8.139 7.858 0.281 25933 7081 1 14 . 1 1 74 74 HIS N N 74 117.140 117.140 115.615 1.525 25933 7082 1 14 . 1 1 74 74 HIS HA H 74 5.015 5.015 4.541 0.474 25933 7083 1 14 . 1 1 74 74 HIS C C 74 174.206 174.206 175.477 -1.271 25933 7084 1 14 . 1 1 74 74 HIS CA C 74 57.692 57.692 56.208 1.484 25933 7085 1 14 . 1 1 74 74 HIS CB C 74 32.739 32.739 29.941 2.798 25933 7086 1 14 . 1 1 74 74 HIS H H 74 7.628 7.628 7.448 0.180 25933 7087 1 14 . 1 1 75 75 ARG N N 75 115.977 115.977 116.736 -0.759 25933 7088 1 14 . 1 1 75 75 ARG HA H 75 3.699 3.699 4.240 -0.541 25933 7089 1 14 . 1 1 75 75 ARG C C 75 176.493 176.493 175.970 0.523 25933 7090 1 14 . 1 1 75 75 ARG CA C 75 57.925 57.925 56.926 0.999 25933 7091 1 14 . 1 1 75 75 ARG CB C 75 30.179 30.179 31.068 -0.889 25933 7092 1 14 . 1 1 75 75 ARG H H 75 7.415 7.415 7.627 -0.212 25933 7093 1 14 . 1 1 76 76 GLU N N 76 123.649 123.649 121.155 2.494 25933 7094 1 14 . 1 1 76 76 GLU HA H 76 3.955 3.955 4.165 -0.210 25933 7095 1 14 . 1 1 76 76 GLU C C 76 177.401 177.401 177.473 -0.072 25933 7096 1 14 . 1 1 76 76 GLU CA C 76 58.208 58.208 57.079 1.129 25933 7097 1 14 . 1 1 76 76 GLU CB C 76 28.668 28.668 28.695 -0.027 25933 7098 1 14 . 1 1 76 76 GLU H H 76 8.094 8.094 7.393 0.701 25933 7099 1 14 . 1 1 77 77 GLY N N 77 114.787 114.787 113.730 1.057 25933 7100 1 14 . 1 1 77 77 GLY C C 77 174.193 174.193 175.433 -1.240 25933 7101 1 14 . 1 1 77 77 GLY CA C 77 45.502 45.502 46.343 -0.841 25933 7102 1 14 . 1 1 77 77 GLY H H 77 8.831 8.831 9.017 -0.186 25933 7103 1 14 . 1 1 78 78 MET N N 78 115.494 115.494 118.266 -2.772 25933 7104 1 14 . 1 1 78 78 MET HA H 78 4.608 4.608 4.599 0.009 25933 7105 1 14 . 1 1 78 78 MET C C 78 175.808 175.808 175.214 0.594 25933 7106 1 14 . 1 1 78 78 MET CA C 78 53.865 53.865 54.946 -1.081 25933 7107 1 14 . 1 1 78 78 MET CB C 78 33.146 33.146 33.690 -0.544 25933 7108 1 14 . 1 1 78 78 MET H H 78 7.320 7.320 7.450 -0.130 25933 7109 1 14 . 1 1 79 79 LEU N N 79 116.112 116.112 120.167 -4.055 25933 7110 1 14 . 1 1 79 79 LEU HA H 79 5.083 5.083 4.777 0.306 25933 7111 1 14 . 1 1 79 79 LEU C C 79 175.580 175.580 174.694 0.886 25933 7112 1 14 . 1 1 79 79 LEU CA C 79 52.710 52.710 53.859 -1.149 25933 7113 1 14 . 1 1 79 79 LEU CB C 79 46.268 46.268 45.017 1.251 25933 7114 1 14 . 1 1 79 79 LEU H H 79 6.783 6.783 7.873 -1.090 25933 7115 1 14 . 1 1 80 80 PHE N N 80 121.484 121.484 121.146 0.338 25933 7116 1 14 . 1 1 80 80 PHE HA H 80 4.773 4.773 4.925 -0.152 25933 7117 1 14 . 1 1 80 80 PHE C C 80 174.354 174.354 173.630 0.724 25933 7118 1 14 . 1 1 80 80 PHE CA C 80 56.225 56.225 55.600 0.625 25933 7119 1 14 . 1 1 80 80 PHE CB C 80 42.377 42.377 41.298 1.079 25933 7120 1 14 . 1 1 80 80 PHE H H 80 9.296 9.296 8.419 0.877 25933 7121 1 14 . 1 1 81 81 ILE N N 81 123.854 123.854 121.076 2.778 25933 7122 1 14 . 1 1 81 81 ILE HA H 81 4.088 4.088 4.495 -0.407 25933 7123 1 14 . 1 1 81 81 ILE C C 81 176.829 176.829 176.310 0.519 25933 7124 1 14 . 1 1 81 81 ILE CA C 81 60.636 60.636 60.752 -0.116 25933 7125 1 14 . 1 1 81 81 ILE CB C 81 37.486 37.486 37.248 0.238 25933 7126 1 14 . 1 1 81 81 ILE H H 81 8.798 8.798 8.485 0.313 25933 7127 1 14 . 1 1 82 82 SER N N 82 124.730 124.730 122.644 2.086 25933 7128 1 14 . 1 1 82 82 SER HA H 82 4.530 4.530 4.685 -0.155 25933 7129 1 14 . 1 1 82 82 SER C C 82 177.460 177.460 175.227 2.233 25933 7130 1 14 . 1 1 82 82 SER CA C 82 58.180 58.180 57.962 0.218 25933 7131 1 14 . 1 1 82 82 SER CB C 82 64.054 64.054 64.168 -0.115 25933 7132 1 14 . 1 1 82 82 SER H H 82 8.898 8.898 9.149 -0.251 25933 7133 1 14 . 1 1 83 83 LYS N N 83 129.518 129.518 128.261 1.257 25933 7134 1 14 . 1 1 83 83 LYS HA H 83 4.198 4.198 4.230 -0.032 25933 7135 1 14 . 1 1 83 83 LYS C C 83 177.173 177.173 176.934 0.239 25933 7136 1 14 . 1 1 83 83 LYS CA C 83 57.848 57.848 58.414 -0.566 25933 7137 1 14 . 1 1 83 83 LYS CB C 83 32.376 32.376 32.224 0.152 25933 7138 1 14 . 1 1 83 83 LYS H H 83 9.269 9.269 8.924 0.345 25933 7139 1 14 . 1 1 84 84 LEU N N 84 120.539 120.539 119.556 0.983 25933 7140 1 14 . 1 1 84 84 LEU HA H 84 4.284 4.284 4.204 0.080 25933 7141 1 14 . 1 1 84 84 LEU C C 84 178.443 178.443 178.137 0.306 25933 7142 1 14 . 1 1 84 84 LEU CA C 84 56.827 56.827 57.041 -0.214 25933 7143 1 14 . 1 1 84 84 LEU CB C 84 41.901 41.901 42.486 -0.585 25933 7144 1 14 . 1 1 84 84 LEU H H 84 8.364 8.364 7.682 0.682 25933 7145 1 14 . 1 1 85 85 ASP N N 85 114.333 114.333 115.731 -1.398 25933 7146 1 14 . 1 1 85 85 ASP HA H 85 4.737 4.737 4.809 -0.072 25933 7147 1 14 . 1 1 85 85 ASP C C 85 177.413 177.413 176.894 0.519 25933 7148 1 14 . 1 1 85 85 ASP CA C 85 53.056 53.056 53.682 -0.626 25933 7149 1 14 . 1 1 85 85 ASP CB C 85 42.065 42.065 42.027 0.038 25933 7150 1 14 . 1 1 85 85 ASP H H 85 7.326 7.326 8.018 -0.692 25933 7151 1 14 . 1 1 86 86 GLY N N 86 108.607 108.607 108.517 0.090 25933 7152 1 14 . 1 1 86 86 GLY C C 86 174.036 174.036 174.513 -0.477 25933 7153 1 14 . 1 1 86 86 GLY CA C 86 46.037 46.037 45.800 0.237 25933 7154 1 14 . 1 1 86 86 GLY H H 86 7.901 7.901 8.367 -0.466 25933 7155 1 14 . 1 1 87 87 ARG N N 87 120.598 120.598 118.910 1.688 25933 7156 1 14 . 1 1 87 87 ARG HA H 87 4.345 4.345 4.689 -0.344 25933 7157 1 14 . 1 1 87 87 ARG C C 87 175.968 175.968 176.301 -0.333 25933 7158 1 14 . 1 1 87 87 ARG CA C 87 56.810 56.810 54.679 2.131 25933 7159 1 14 . 1 1 87 87 ARG CB C 87 31.934 31.934 32.199 -0.265 25933 7160 1 14 . 1 1 87 87 ARG H H 87 7.948 7.948 7.667 0.281 25933 7161 1 14 . 1 1 88 88 LEU N N 88 126.752 126.752 124.060 2.692 25933 7162 1 14 . 1 1 88 88 LEU HA H 88 4.576 4.576 4.650 -0.074 25933 7163 1 14 . 1 1 88 88 LEU C C 88 176.060 176.060 176.049 0.011 25933 7164 1 14 . 1 1 88 88 LEU CA C 88 55.558 55.558 55.517 0.041 25933 7165 1 14 . 1 1 88 88 LEU CB C 88 42.815 42.815 41.810 1.005 25933 7166 1 14 . 1 1 88 88 LEU H H 88 8.968 8.968 9.043 -0.075 25933 7167 1 14 . 1 1 89 89 SER N N 89 118.859 118.859 119.591 -0.732 25933 7168 1 14 . 1 1 89 89 SER HA H 89 6.146 6.146 5.183 0.963 25933 7169 1 14 . 1 1 89 89 SER C C 89 174.338 174.338 173.437 0.901 25933 7170 1 14 . 1 1 89 89 SER CA C 89 56.311 56.311 56.246 0.065 25933 7171 1 14 . 1 1 89 89 SER CB C 89 67.072 67.072 65.715 1.357 25933 7172 1 14 . 1 1 89 89 SER H H 89 9.083 9.083 9.013 0.070 25933 7173 1 14 . 1 1 90 90 CYS N N 90 128.907 128.907 124.487 4.420 25933 7174 1 14 . 1 1 90 90 CYS HA H 90 5.815 5.815 5.450 0.365 25933 7175 1 14 . 1 1 90 90 CYS C C 90 176.386 176.386 177.229 -0.843 25933 7176 1 14 . 1 1 90 90 CYS CA C 90 58.908 58.908 56.024 2.884 25933 7177 1 14 . 1 1 90 90 CYS CB C 90 29.444 29.444 30.417 -0.973 25933 7178 1 14 . 1 1 90 90 CYS H H 90 10.389 10.389 8.324 2.065 25933 7179 1 14 . 1 1 91 91 THR N N 91 108.692 108.692 113.340 -4.648 25933 7180 1 14 . 1 1 91 91 THR HA H 91 4.398 4.398 4.394 0.004 25933 7181 1 14 . 1 1 91 91 THR C C 91 175.912 175.912 174.759 1.153 25933 7182 1 14 . 1 1 91 91 THR CA C 91 63.576 63.576 63.797 -0.221 25933 7183 1 14 . 1 1 91 91 THR CB C 91 69.172 69.172 68.201 0.971 25933 7184 1 14 . 1 1 91 91 THR H H 91 8.435 8.435 8.653 -0.218 25933 7185 1 14 . 1 1 92 92 GLU N N 92 123.418 123.418 119.537 3.881 25933 7186 1 14 . 1 1 92 92 GLU HA H 92 4.280 4.280 4.352 -0.072 25933 7187 1 14 . 1 1 92 92 GLU C C 92 175.937 175.937 177.028 -1.091 25933 7188 1 14 . 1 1 92 92 GLU CA C 92 56.582 56.582 57.028 -0.446 25933 7189 1 14 . 1 1 92 92 GLU CB C 92 28.887 28.887 29.152 -0.265 25933 7190 1 14 . 1 1 92 92 GLU H H 92 8.626 8.626 7.889 0.737 25933 7191 1 14 . 1 1 93 93 HIS N N 93 117.178 117.178 118.558 -1.380 25933 7192 1 14 . 1 1 93 93 HIS HA H 93 4.789 4.789 4.847 -0.058 25933 7193 1 14 . 1 1 93 93 HIS C C 93 174.016 174.016 174.550 -0.534 25933 7194 1 14 . 1 1 93 93 HIS CA C 93 54.275 54.275 54.071 0.204 25933 7195 1 14 . 1 1 93 93 HIS CB C 93 29.373 29.373 27.919 1.454 25933 7196 1 14 . 1 1 93 93 HIS H H 93 7.244 7.244 7.531 -0.287 25933 7197 1 15 . 1 1 2 2 ALA N N 2 124.503 124.503 123.153 1.350 25933 7198 1 15 . 1 1 2 2 ALA HA H 2 4.337 4.337 4.714 -0.377 25933 7199 1 15 . 1 1 2 2 ALA C C 2 177.688 177.688 176.082 1.606 25933 7200 1 15 . 1 1 2 2 ALA CA C 2 52.598 52.598 51.500 1.098 25933 7201 1 15 . 1 1 2 2 ALA CB C 2 19.375 19.375 18.398 0.977 25933 7202 1 15 . 1 1 2 2 ALA H H 2 8.639 8.639 8.461 0.178 25933 7203 1 15 . 1 1 3 3 MET N N 3 120.183 120.183 119.752 0.431 25933 7204 1 15 . 1 1 3 3 MET HA H 3 4.402 4.402 4.448 -0.046 25933 7205 1 15 . 1 1 3 3 MET C C 3 176.072 176.072 176.021 0.051 25933 7206 1 15 . 1 1 3 3 MET CA C 3 55.636 55.636 57.859 -2.224 25933 7207 1 15 . 1 1 3 3 MET CB C 3 32.936 32.936 33.231 -0.295 25933 7208 1 15 . 1 1 3 3 MET H H 3 8.483 8.483 8.298 0.185 25933 7209 1 15 . 1 1 4 4 GLU N N 4 123.573 123.573 118.225 5.348 25933 7210 1 15 . 1 1 4 4 GLU HA H 4 4.255 4.255 4.282 -0.027 25933 7211 1 15 . 1 1 4 4 GLU C C 4 175.719 175.719 176.277 -0.558 25933 7212 1 15 . 1 1 4 4 GLU CA C 4 56.516 56.516 56.295 0.221 25933 7213 1 15 . 1 1 4 4 GLU CB C 4 30.209 30.209 30.454 -0.245 25933 7214 1 15 . 1 1 4 4 GLU H H 4 8.417 8.417 8.537 -0.120 25933 7215 1 15 . 1 1 5 5 ARG N N 5 121.879 121.879 118.611 3.268 25933 7216 1 15 . 1 1 5 5 ARG HA H 5 4.327 4.327 4.617 -0.290 25933 7217 1 15 . 1 1 5 5 ARG C C 5 175.991 175.991 174.792 1.199 25933 7218 1 15 . 1 1 5 5 ARG CA C 5 55.879 55.879 54.725 1.154 25933 7219 1 15 . 1 1 5 5 ARG CB C 5 31.336 31.336 32.598 -1.262 25933 7220 1 15 . 1 1 5 5 ARG H H 5 8.099 8.099 7.874 0.225 25933 7221 1 15 . 1 1 6 6 GLU N N 6 124.508 124.508 123.852 0.656 25933 7222 1 15 . 1 1 6 6 GLU HA H 6 4.245 4.245 4.299 -0.054 25933 7223 1 15 . 1 1 6 6 GLU C C 6 174.941 174.941 176.491 -1.550 25933 7224 1 15 . 1 1 6 6 GLU CA C 6 56.775 56.775 55.791 0.984 25933 7225 1 15 . 1 1 6 6 GLU CB C 6 30.421 30.421 30.690 -0.269 25933 7226 1 15 . 1 1 6 6 GLU H H 6 8.560 8.560 8.148 0.412 25933 7227 1 15 . 1 1 7 7 ASP N N 7 117.067 117.067 119.552 -2.485 25933 7228 1 15 . 1 1 7 7 ASP HA H 7 4.520 4.520 4.584 -0.064 25933 7229 1 15 . 1 1 7 7 ASP C C 7 174.744 174.744 175.116 -0.372 25933 7230 1 15 . 1 1 7 7 ASP CA C 7 53.697 53.697 53.969 -0.272 25933 7231 1 15 . 1 1 7 7 ASP CB C 7 42.222 42.222 40.860 1.362 25933 7232 1 15 . 1 1 7 7 ASP H H 7 8.237 8.237 8.543 -0.306 25933 7233 1 15 . 1 1 8 8 GLU N N 8 116.268 116.268 118.633 -2.365 25933 7234 1 15 . 1 1 8 8 GLU HA H 8 4.083 4.083 4.396 -0.313 25933 7235 1 15 . 1 1 8 8 GLU C C 8 173.257 173.257 173.943 -0.686 25933 7236 1 15 . 1 1 8 8 GLU CA C 8 54.382 54.382 55.063 -0.681 25933 7237 1 15 . 1 1 8 8 GLU CB C 8 32.438 32.438 32.426 0.012 25933 7238 1 15 . 1 1 8 8 GLU H H 8 7.005 7.005 7.219 -0.214 25933 7239 1 15 . 1 1 9 9 CYS N N 9 124.211 124.211 124.212 -0.001 25933 7240 1 15 . 1 1 9 9 CYS HA H 9 4.157 4.157 4.616 -0.459 25933 7241 1 15 . 1 1 9 9 CYS C C 9 178.384 178.384 175.835 2.549 25933 7242 1 15 . 1 1 9 9 CYS CA C 9 57.640 57.640 58.032 -0.392 25933 7243 1 15 . 1 1 9 9 CYS CB C 9 31.396 31.396 26.279 5.117 25933 7244 1 15 . 1 1 9 9 CYS H H 9 8.220 8.220 8.524 -0.304 25933 7245 1 15 . 1 1 10 10 PHE N N 10 131.759 131.759 127.968 3.791 25933 7246 1 15 . 1 1 10 10 PHE HA H 10 4.695 4.695 4.172 0.523 25933 7247 1 15 . 1 1 10 10 PHE C C 10 176.194 176.194 175.776 0.418 25933 7248 1 15 . 1 1 10 10 PHE CA C 10 55.935 55.935 60.856 -4.921 25933 7249 1 15 . 1 1 10 10 PHE CB C 10 38.279 38.279 39.638 -1.359 25933 7250 1 15 . 1 1 10 10 PHE H H 10 8.765 8.765 7.949 0.816 25933 7251 1 15 . 1 1 11 11 SER N N 11 114.027 114.027 114.150 -0.123 25933 7252 1 15 . 1 1 11 11 SER HA H 11 4.331 4.331 4.218 0.113 25933 7253 1 15 . 1 1 11 11 SER C C 11 175.836 175.836 174.622 1.214 25933 7254 1 15 . 1 1 11 11 SER CA C 11 61.956 61.956 60.613 1.343 25933 7255 1 15 . 1 1 11 11 SER CB C 11 63.774 63.774 63.776 -0.002 25933 7256 1 15 . 1 1 11 11 SER H H 11 8.686 8.686 8.300 0.386 25933 7257 1 15 . 1 1 12 12 CYS N N 12 118.224 118.224 117.653 0.571 25933 7258 1 15 . 1 1 12 12 CYS HA H 12 5.121 5.121 4.738 0.383 25933 7259 1 15 . 1 1 12 12 CYS C C 12 176.817 176.817 175.918 0.899 25933 7260 1 15 . 1 1 12 12 CYS CA C 12 58.693 58.693 59.282 -0.589 25933 7261 1 15 . 1 1 12 12 CYS CB C 12 32.837 32.837 30.011 2.826 25933 7262 1 15 . 1 1 12 12 CYS H H 12 8.195 8.195 7.671 0.524 25933 7263 1 15 . 1 1 13 13 GLY N N 13 114.509 114.509 108.936 5.573 25933 7264 1 15 . 1 1 13 13 GLY C C 13 173.093 173.093 173.437 -0.344 25933 7265 1 15 . 1 1 13 13 GLY CA C 13 46.346 46.346 45.347 0.999 25933 7266 1 15 . 1 1 13 13 GLY H H 13 8.385 8.385 8.586 -0.201 25933 7267 1 15 . 1 1 14 14 ASP N N 14 122.123 122.123 120.209 1.914 25933 7268 1 15 . 1 1 14 14 ASP HA H 14 5.294 5.294 4.945 0.349 25933 7269 1 15 . 1 1 14 14 ASP C C 14 176.111 176.111 174.700 1.411 25933 7270 1 15 . 1 1 14 14 ASP CA C 14 53.304 53.304 53.792 -0.488 25933 7271 1 15 . 1 1 14 14 ASP CB C 14 43.175 43.175 44.249 -1.074 25933 7272 1 15 . 1 1 14 14 ASP H H 14 8.512 8.512 7.684 0.828 25933 7273 1 15 . 1 1 15 15 ALA N N 15 123.765 123.765 123.316 0.449 25933 7274 1 15 . 1 1 15 15 ALA HA H 15 4.679 4.679 4.521 0.158 25933 7275 1 15 . 1 1 15 15 ALA C C 15 177.375 177.375 176.833 0.542 25933 7276 1 15 . 1 1 15 15 ALA CA C 15 51.216 51.216 51.999 -0.783 25933 7277 1 15 . 1 1 15 15 ALA CB C 15 19.842 19.842 20.752 -0.910 25933 7278 1 15 . 1 1 15 15 ALA H H 15 8.538 8.538 8.467 0.071 25933 7279 1 15 . 1 1 16 16 GLY N N 16 108.898 108.898 109.853 -0.955 25933 7280 1 15 . 1 1 16 16 GLY C C 16 172.132 172.132 173.205 -1.073 25933 7281 1 15 . 1 1 16 16 GLY CA C 16 45.320 45.320 45.915 -0.595 25933 7282 1 15 . 1 1 16 16 GLY H H 16 8.304 8.304 8.197 0.107 25933 7283 1 15 . 1 1 17 17 GLN N N 17 125.473 125.473 122.660 2.813 25933 7284 1 15 . 1 1 17 17 GLN HA H 17 4.359 4.359 4.436 -0.077 25933 7285 1 15 . 1 1 17 17 GLN C C 17 175.263 175.263 175.193 0.070 25933 7286 1 15 . 1 1 17 17 GLN CA C 17 55.779 55.779 55.220 0.559 25933 7287 1 15 . 1 1 17 17 GLN CB C 17 27.927 27.927 28.160 -0.234 25933 7288 1 15 . 1 1 17 17 GLN H H 17 8.887 8.887 8.518 0.369 25933 7289 1 15 . 1 1 18 18 LEU N N 18 127.246 127.246 126.441 0.805 25933 7290 1 15 . 1 1 18 18 LEU HA H 18 4.714 4.714 4.837 -0.123 25933 7291 1 15 . 1 1 18 18 LEU C C 18 177.078 177.078 176.519 0.559 25933 7292 1 15 . 1 1 18 18 LEU CA C 18 53.755 53.755 53.934 -0.179 25933 7293 1 15 . 1 1 18 18 LEU CB C 18 44.191 44.191 42.927 1.264 25933 7294 1 15 . 1 1 18 18 LEU H H 18 8.322 8.322 8.014 0.308 25933 7295 1 15 . 1 1 19 19 VAL N N 19 121.280 121.280 124.668 -3.388 25933 7296 1 15 . 1 1 19 19 VAL HA H 19 4.547 4.547 4.318 0.229 25933 7297 1 15 . 1 1 19 19 VAL C C 19 175.238 175.238 174.284 0.954 25933 7298 1 15 . 1 1 19 19 VAL CA C 19 59.975 59.975 60.579 -0.604 25933 7299 1 15 . 1 1 19 19 VAL CB C 19 33.809 33.809 34.344 -0.535 25933 7300 1 15 . 1 1 19 19 VAL H H 19 9.789 9.789 9.076 0.713 25933 7301 1 15 . 1 1 20 20 SER N N 20 118.562 118.562 122.588 -4.026 25933 7302 1 15 . 1 1 20 20 SER HA H 20 5.062 5.062 4.724 0.338 25933 7303 1 15 . 1 1 20 20 SER C C 20 174.439 174.439 174.136 0.303 25933 7304 1 15 . 1 1 20 20 SER CA C 20 57.132 57.132 57.142 -0.010 25933 7305 1 15 . 1 1 20 20 SER CB C 20 64.811 64.811 64.552 0.259 25933 7306 1 15 . 1 1 20 20 SER H H 20 8.638 8.638 8.355 0.283 25933 7307 1 15 . 1 1 21 21 CYS N N 21 125.432 125.432 124.957 0.475 25933 7308 1 15 . 1 1 21 21 CYS HA H 21 4.311 4.311 4.570 -0.259 25933 7309 1 15 . 1 1 21 21 CYS CA C 21 61.656 61.656 59.611 2.046 25933 7310 1 15 . 1 1 21 21 CYS CB C 21 31.029 31.029 26.916 4.113 25933 7311 1 15 . 1 1 21 21 CYS H H 21 8.132 8.132 8.378 -0.246 25933 7312 1 15 . 1 1 22 22 LYS N N 22 125.587 125.587 128.398 -2.811 25933 7313 1 15 . 1 1 22 22 LYS HA H 22 4.648 4.648 4.366 0.282 25933 7314 1 15 . 1 1 22 22 LYS C C 22 177.460 177.460 175.416 2.044 25933 7315 1 15 . 1 1 22 22 LYS H H 22 8.294 8.294 8.810 -0.516 25933 7316 1 15 . 1 1 23 23 LYS N N 23 130.703 130.703 119.235 11.468 25933 7317 1 15 . 1 1 23 23 LYS HA H 23 4.385 4.385 4.725 -0.340 25933 7318 1 15 . 1 1 23 23 LYS CA C 23 55.222 55.222 52.078 3.144 25933 7319 1 15 . 1 1 23 23 LYS CB C 23 33.949 33.949 33.104 0.845 25933 7320 1 15 . 1 1 23 23 LYS H H 23 9.496 9.496 7.806 1.690 25933 7321 1 15 . 1 1 24 24 PRO HA H 24 4.198 4.198 4.339 -0.141 25933 7322 1 15 . 1 1 24 24 PRO C C 24 177.835 177.835 177.755 0.080 25933 7323 1 15 . 1 1 24 24 PRO CA C 24 64.454 64.454 64.251 0.202 25933 7324 1 15 . 1 1 24 24 PRO CB C 24 31.420 31.420 31.644 -0.224 25933 7325 1 15 . 1 1 25 25 GLY N N 25 114.246 114.246 111.627 2.619 25933 7326 1 15 . 1 1 25 25 GLY C C 25 173.630 173.630 174.188 -0.558 25933 7327 1 15 . 1 1 25 25 GLY CA C 25 45.200 45.200 44.722 0.478 25933 7328 1 15 . 1 1 25 25 GLY H H 25 8.823 8.823 8.560 0.263 25933 7329 1 15 . 1 1 26 26 CYS N N 26 126.002 126.002 122.720 3.282 25933 7330 1 15 . 1 1 26 26 CYS HA H 26 5.014 5.014 4.954 0.060 25933 7331 1 15 . 1 1 26 26 CYS CA C 26 56.747 56.747 55.572 1.175 25933 7332 1 15 . 1 1 26 26 CYS CB C 26 32.711 32.711 27.516 5.195 25933 7333 1 15 . 1 1 26 26 CYS H H 26 8.076 8.076 7.897 0.179 25933 7334 1 15 . 1 1 27 27 PRO HA H 27 4.802 4.802 4.908 -0.106 25933 7335 1 15 . 1 1 27 27 PRO C C 27 175.970 175.970 175.476 0.494 25933 7336 1 15 . 1 1 27 27 PRO CA C 27 63.334 63.334 62.595 0.739 25933 7337 1 15 . 1 1 27 27 PRO CB C 27 32.920 32.920 31.512 1.408 25933 7338 1 15 . 1 1 28 28 LYS N N 28 121.413 121.413 119.969 1.444 25933 7339 1 15 . 1 1 28 28 LYS HA H 28 3.889 3.889 4.344 -0.455 25933 7340 1 15 . 1 1 28 28 LYS C C 28 175.961 175.961 174.415 1.546 25933 7341 1 15 . 1 1 28 28 LYS CA C 28 55.327 55.327 55.536 -0.209 25933 7342 1 15 . 1 1 28 28 LYS CB C 28 32.132 32.132 34.509 -2.377 25933 7343 1 15 . 1 1 28 28 LYS H H 28 8.353 8.353 7.377 0.976 25933 7344 1 15 . 1 1 29 29 VAL N N 29 115.183 115.183 121.021 -5.838 25933 7345 1 15 . 1 1 29 29 VAL HA H 29 5.286 5.286 4.457 0.829 25933 7346 1 15 . 1 1 29 29 VAL C C 29 174.480 174.480 172.957 1.523 25933 7347 1 15 . 1 1 29 29 VAL CA C 29 58.616 58.616 60.124 -1.508 25933 7348 1 15 . 1 1 29 29 VAL CB C 29 35.526 35.526 35.022 0.505 25933 7349 1 15 . 1 1 29 29 VAL H H 29 8.346 8.346 8.155 0.191 25933 7350 1 15 . 1 1 30 30 TYR N N 30 114.639 114.639 120.175 -5.536 25933 7351 1 15 . 1 1 30 30 TYR HA H 30 5.821 5.821 4.717 1.104 25933 7352 1 15 . 1 1 30 30 TYR C C 30 177.221 177.221 174.313 2.908 25933 7353 1 15 . 1 1 30 30 TYR CA C 30 56.989 56.989 56.427 0.562 25933 7354 1 15 . 1 1 30 30 TYR CB C 30 45.110 45.110 42.617 2.493 25933 7355 1 15 . 1 1 30 30 TYR H H 30 8.792 8.792 8.546 0.246 25933 7356 1 15 . 1 1 31 31 HIS N N 31 121.470 121.470 118.741 2.729 25933 7357 1 15 . 1 1 31 31 HIS HA H 31 4.890 4.890 5.089 -0.199 25933 7358 1 15 . 1 1 31 31 HIS C C 31 177.595 177.595 176.087 1.508 25933 7359 1 15 . 1 1 31 31 HIS CA C 31 58.141 58.141 55.266 2.875 25933 7360 1 15 . 1 1 31 31 HIS CB C 31 30.737 30.737 30.995 -0.258 25933 7361 1 15 . 1 1 31 31 HIS H H 31 9.164 9.164 8.288 0.876 25933 7362 1 15 . 1 1 32 32 ALA N N 32 129.786 129.786 126.212 3.574 25933 7363 1 15 . 1 1 32 32 ALA HA H 32 3.829 3.829 3.931 -0.102 25933 7364 1 15 . 1 1 32 32 ALA C C 32 180.494 180.494 178.122 2.372 25933 7365 1 15 . 1 1 32 32 ALA CA C 32 56.044 56.044 55.433 0.611 25933 7366 1 15 . 1 1 32 32 ALA CB C 32 17.179 17.179 18.613 -1.434 25933 7367 1 15 . 1 1 32 32 ALA H H 32 9.768 9.768 8.856 0.912 25933 7368 1 15 . 1 1 33 33 ASP N N 33 114.332 114.332 117.072 -2.740 25933 7369 1 15 . 1 1 33 33 ASP HA H 33 4.521 4.521 4.332 0.189 25933 7370 1 15 . 1 1 33 33 ASP C C 33 179.006 179.006 178.493 0.513 25933 7371 1 15 . 1 1 33 33 ASP CA C 33 56.541 56.541 56.612 -0.071 25933 7372 1 15 . 1 1 33 33 ASP CB C 33 40.316 40.316 39.909 0.407 25933 7373 1 15 . 1 1 33 33 ASP H H 33 8.832 8.832 8.682 0.150 25933 7374 1 15 . 1 1 34 34 CYS N N 34 119.035 119.035 115.734 3.301 25933 7375 1 15 . 1 1 34 34 CYS HA H 34 4.224 4.224 4.574 -0.350 25933 7376 1 15 . 1 1 34 34 CYS C C 34 175.978 175.978 176.365 -0.387 25933 7377 1 15 . 1 1 34 34 CYS CA C 34 63.491 63.491 59.060 4.431 25933 7378 1 15 . 1 1 34 34 CYS CB C 34 28.925 28.925 26.765 2.160 25933 7379 1 15 . 1 1 34 34 CYS H H 34 7.364 7.364 8.274 -0.910 25933 7380 1 15 . 1 1 35 35 LEU N N 35 118.363 118.363 119.926 -1.563 25933 7381 1 15 . 1 1 35 35 LEU HA H 35 4.404 4.404 4.361 0.043 25933 7382 1 15 . 1 1 35 35 LEU C C 35 176.327 176.327 176.249 0.078 25933 7383 1 15 . 1 1 35 35 LEU CA C 35 53.966 53.966 54.554 -0.588 25933 7384 1 15 . 1 1 35 35 LEU CB C 35 42.982 42.982 42.076 0.906 25933 7385 1 15 . 1 1 35 35 LEU H H 35 7.135 7.135 7.492 -0.357 25933 7386 1 15 . 1 1 36 36 ASN N N 36 116.501 116.501 114.652 1.849 25933 7387 1 15 . 1 1 36 36 ASN HA H 36 4.461 4.461 4.445 0.016 25933 7388 1 15 . 1 1 36 36 ASN C C 36 175.075 175.075 174.738 0.337 25933 7389 1 15 . 1 1 36 36 ASN CA C 36 54.055 54.055 54.310 -0.255 25933 7390 1 15 . 1 1 36 36 ASN CB C 36 37.552 37.552 36.770 0.782 25933 7391 1 15 . 1 1 36 36 ASN H H 36 7.974 7.974 7.880 0.094 25933 7392 1 15 . 1 1 37 37 LEU N N 37 119.139 119.139 120.390 -1.251 25933 7393 1 15 . 1 1 37 37 LEU HA H 37 4.472 4.472 4.464 0.008 25933 7394 1 15 . 1 1 37 37 LEU C C 37 178.114 178.114 177.060 1.054 25933 7395 1 15 . 1 1 37 37 LEU CA C 37 54.421 54.421 54.645 -0.224 25933 7396 1 15 . 1 1 37 37 LEU CB C 37 42.937 42.937 39.988 2.949 25933 7397 1 15 . 1 1 37 37 LEU H H 37 7.953 7.953 8.494 -0.541 25933 7398 1 15 . 1 1 38 38 THR N N 38 113.698 113.698 117.321 -3.623 25933 7399 1 15 . 1 1 38 38 THR HA H 38 4.224 4.224 4.128 0.096 25933 7400 1 15 . 1 1 38 38 THR C C 38 174.325 174.325 174.931 -0.606 25933 7401 1 15 . 1 1 38 38 THR CA C 38 62.608 62.608 64.507 -1.899 25933 7402 1 15 . 1 1 38 38 THR CB C 38 69.163 69.163 69.060 0.103 25933 7403 1 15 . 1 1 38 38 THR H H 38 8.465 8.465 7.819 0.646 25933 7404 1 15 . 1 1 39 39 LYS N N 39 120.070 120.070 122.395 -2.325 25933 7405 1 15 . 1 1 39 39 LYS HA H 39 4.383 4.383 4.287 0.096 25933 7406 1 15 . 1 1 39 39 LYS C C 39 175.570 175.570 175.531 0.039 25933 7407 1 15 . 1 1 39 39 LYS CA C 39 54.864 54.864 55.567 -0.703 25933 7408 1 15 . 1 1 39 39 LYS CB C 39 34.079 34.079 33.070 1.009 25933 7409 1 15 . 1 1 39 39 LYS H H 39 7.595 7.595 8.019 -0.424 25933 7410 1 15 . 1 1 40 40 ARG N N 40 123.383 123.383 127.734 -4.351 25933 7411 1 15 . 1 1 40 40 ARG HA H 40 4.163 4.163 4.270 -0.107 25933 7412 1 15 . 1 1 40 40 ARG CA C 40 54.474 54.474 54.826 -0.352 25933 7413 1 15 . 1 1 40 40 ARG CB C 40 29.745 29.745 30.043 -0.298 25933 7414 1 15 . 1 1 40 40 ARG H H 40 8.372 8.372 8.421 -0.049 25933 7415 1 15 . 1 1 41 41 PRO HA H 41 4.081 4.081 4.455 -0.374 25933 7416 1 15 . 1 1 41 41 PRO C C 41 176.215 176.215 175.587 0.628 25933 7417 1 15 . 1 1 41 41 PRO CA C 41 63.151 63.151 62.991 0.160 25933 7418 1 15 . 1 1 41 41 PRO CB C 41 32.154 32.154 32.070 0.084 25933 7419 1 15 . 1 1 42 42 ALA N N 42 126.233 126.233 125.039 1.194 25933 7420 1 15 . 1 1 42 42 ALA HA H 42 4.447 4.447 4.548 -0.101 25933 7421 1 15 . 1 1 42 42 ALA C C 42 177.947 177.947 177.282 0.665 25933 7422 1 15 . 1 1 42 42 ALA CA C 42 51.741 51.741 51.610 0.131 25933 7423 1 15 . 1 1 42 42 ALA CB C 42 20.295 20.295 20.449 -0.154 25933 7424 1 15 . 1 1 42 42 ALA H H 42 8.368 8.368 8.098 0.270 25933 7425 1 15 . 1 1 43 43 GLY N N 43 108.071 108.071 110.905 -2.834 25933 7426 1 15 . 1 1 43 43 GLY C C 43 174.630 174.630 174.092 0.538 25933 7427 1 15 . 1 1 43 43 GLY CA C 43 45.871 45.871 44.785 1.086 25933 7428 1 15 . 1 1 43 43 GLY H H 43 8.499 8.499 8.347 0.152 25933 7429 1 15 . 1 1 44 44 LYS N N 44 123.859 123.859 123.993 -0.134 25933 7430 1 15 . 1 1 44 44 LYS HA H 44 4.325 4.325 4.377 -0.052 25933 7431 1 15 . 1 1 44 44 LYS CA C 44 56.012 56.012 56.041 -0.029 25933 7432 1 15 . 1 1 44 44 LYS CB C 44 31.307 31.307 32.715 -1.408 25933 7433 1 15 . 1 1 44 44 LYS H H 44 8.485 8.485 8.451 0.034 25933 7434 1 15 . 1 1 45 45 TRP N N 45 124.364 124.364 128.280 -3.916 25933 7435 1 15 . 1 1 45 45 TRP HA H 45 4.317 4.317 4.824 -0.507 25933 7436 1 15 . 1 1 45 45 TRP CA C 45 58.972 58.972 56.541 2.431 25933 7437 1 15 . 1 1 45 45 TRP CB C 45 29.468 29.468 31.185 -1.717 25933 7438 1 15 . 1 1 45 45 TRP H H 45 7.419 7.419 8.627 -1.208 25933 7439 1 15 . 1 1 46 46 GLU N N 46 124.890 124.890 127.512 -2.622 25933 7440 1 15 . 1 1 46 46 GLU HA H 46 4.623 4.623 4.352 0.271 25933 7441 1 15 . 1 1 46 46 GLU CA C 46 53.864 53.864 54.374 -0.510 25933 7442 1 15 . 1 1 46 46 GLU H H 46 7.623 7.623 8.162 -0.539 25933 7443 1 15 . 1 1 47 47 CYS N N 47 130.384 130.384 122.399 7.985 25933 7444 1 15 . 1 1 47 47 CYS HA H 47 4.623 4.623 3.674 0.949 25933 7445 1 15 . 1 1 47 47 CYS H H 47 9.574 9.574 7.840 1.734 25933 7446 1 15 . 1 1 48 48 PRO HA H 48 4.704 4.704 4.251 0.453 25933 7447 1 15 . 1 1 48 48 PRO C C 48 177.973 177.973 177.702 0.271 25933 7448 1 15 . 1 1 48 48 PRO CA C 48 64.380 64.380 64.447 -0.067 25933 7449 1 15 . 1 1 48 48 PRO CB C 48 31.545 31.545 31.523 0.022 25933 7450 1 15 . 1 1 49 49 TRP N N 49 124.314 124.314 120.010 4.304 25933 7451 1 15 . 1 1 49 49 TRP HA H 49 5.248 5.248 4.528 0.720 25933 7452 1 15 . 1 1 49 49 TRP C C 49 179.054 179.054 175.380 3.674 25933 7453 1 15 . 1 1 49 49 TRP CA C 49 56.304 56.304 57.831 -1.527 25933 7454 1 15 . 1 1 49 49 TRP CB C 49 31.375 31.375 28.271 3.104 25933 7455 1 15 . 1 1 49 49 TRP H H 49 8.504 8.504 7.889 0.615 25933 7456 1 15 . 1 1 50 50 HIS N N 50 110.531 110.531 112.506 -1.975 25933 7457 1 15 . 1 1 50 50 HIS HA H 50 4.479 4.479 4.842 -0.363 25933 7458 1 15 . 1 1 50 50 HIS C C 50 175.070 175.070 174.767 0.303 25933 7459 1 15 . 1 1 50 50 HIS CA C 50 56.068 56.068 55.072 0.996 25933 7460 1 15 . 1 1 50 50 HIS CB C 50 28.267 28.267 30.475 -2.208 25933 7461 1 15 . 1 1 50 50 HIS H H 50 7.178 7.178 7.588 -0.410 25933 7462 1 15 . 1 1 51 51 GLN N N 51 118.176 118.176 118.546 -0.370 25933 7463 1 15 . 1 1 51 51 GLN HA H 51 4.638 4.638 4.999 -0.361 25933 7464 1 15 . 1 1 51 51 GLN C C 51 172.785 172.785 175.082 -2.297 25933 7465 1 15 . 1 1 51 51 GLN CA C 51 54.266 54.266 53.661 0.605 25933 7466 1 15 . 1 1 51 51 GLN CB C 51 30.779 30.779 30.686 0.093 25933 7467 1 15 . 1 1 51 51 GLN H H 51 7.243 7.243 7.657 -0.414 25933 7468 1 15 . 1 1 52 52 CYS N N 52 123.532 123.532 127.062 -3.530 25933 7469 1 15 . 1 1 52 52 CYS HA H 52 4.049 4.049 4.487 -0.438 25933 7470 1 15 . 1 1 52 52 CYS C C 52 177.807 177.807 176.258 1.549 25933 7471 1 15 . 1 1 52 52 CYS CA C 52 58.257 58.257 59.455 -1.198 25933 7472 1 15 . 1 1 52 52 CYS CB C 52 31.165 31.165 27.449 3.716 25933 7473 1 15 . 1 1 52 52 CYS H H 52 9.344 9.344 9.171 0.173 25933 7474 1 15 . 1 1 53 53 ASP N N 53 134.328 134.328 128.340 5.988 25933 7475 1 15 . 1 1 53 53 ASP HA H 53 4.190 4.190 4.448 -0.258 25933 7476 1 15 . 1 1 53 53 ASP C C 53 176.732 176.732 176.694 0.038 25933 7477 1 15 . 1 1 53 53 ASP CA C 53 57.384 57.384 56.506 0.878 25933 7478 1 15 . 1 1 53 53 ASP CB C 53 41.122 41.122 40.987 0.135 25933 7479 1 15 . 1 1 53 53 ASP H H 53 9.185 9.185 8.941 0.244 25933 7480 1 15 . 1 1 54 54 VAL N N 54 119.653 119.653 119.064 0.589 25933 7481 1 15 . 1 1 54 54 VAL HA H 54 3.877 3.877 3.981 -0.104 25933 7482 1 15 . 1 1 54 54 VAL C C 54 177.243 177.243 176.802 0.441 25933 7483 1 15 . 1 1 54 54 VAL CA C 54 65.092 65.092 64.479 0.613 25933 7484 1 15 . 1 1 54 54 VAL CB C 54 33.012 33.012 32.930 0.082 25933 7485 1 15 . 1 1 54 54 VAL H H 54 8.796 8.796 7.946 0.850 25933 7486 1 15 . 1 1 55 55 CYS N N 55 115.992 115.992 115.225 0.767 25933 7487 1 15 . 1 1 55 55 CYS HA H 55 5.112 5.112 4.992 0.120 25933 7488 1 15 . 1 1 55 55 CYS C C 55 176.818 176.818 176.164 0.654 25933 7489 1 15 . 1 1 55 55 CYS CA C 55 58.337 58.337 57.880 0.457 25933 7490 1 15 . 1 1 55 55 CYS CB C 55 34.324 34.324 30.078 4.246 25933 7491 1 15 . 1 1 55 55 CYS H H 55 7.604 7.604 8.189 -0.585 25933 7492 1 15 . 1 1 56 56 GLY N N 56 114.227 114.227 111.145 3.082 25933 7493 1 15 . 1 1 56 56 GLY C C 56 173.824 173.824 173.928 -0.104 25933 7494 1 15 . 1 1 56 56 GLY CA C 56 46.409 46.409 45.707 0.702 25933 7495 1 15 . 1 1 56 56 GLY H H 56 8.548 8.548 8.810 -0.262 25933 7496 1 15 . 1 1 57 57 LYS N N 57 122.126 122.126 120.081 2.045 25933 7497 1 15 . 1 1 57 57 LYS HA H 57 4.412 4.412 4.380 0.032 25933 7498 1 15 . 1 1 57 57 LYS C C 57 175.055 175.055 175.756 -0.701 25933 7499 1 15 . 1 1 57 57 LYS CA C 57 56.717 56.717 55.205 1.512 25933 7500 1 15 . 1 1 57 57 LYS CB C 57 33.143 33.143 33.541 -0.398 25933 7501 1 15 . 1 1 57 57 LYS H H 57 8.314 8.314 7.377 0.937 25933 7502 1 15 . 1 1 58 58 GLU N N 58 120.782 120.782 120.042 0.740 25933 7503 1 15 . 1 1 58 58 GLU HA H 58 4.153 4.153 4.287 -0.134 25933 7504 1 15 . 1 1 58 58 GLU C C 58 176.662 176.662 176.149 0.513 25933 7505 1 15 . 1 1 58 58 GLU CA C 58 57.913 57.913 57.433 0.480 25933 7506 1 15 . 1 1 58 58 GLU CB C 58 29.825 29.825 29.723 0.102 25933 7507 1 15 . 1 1 58 58 GLU H H 58 8.502 8.502 8.584 -0.082 25933 7508 1 15 . 1 1 59 59 ALA N N 59 127.052 127.052 128.870 -1.818 25933 7509 1 15 . 1 1 59 59 ALA HA H 59 3.402 3.402 4.388 -0.986 25933 7510 1 15 . 1 1 59 59 ALA C C 59 175.529 175.529 176.005 -0.476 25933 7511 1 15 . 1 1 59 59 ALA CA C 59 52.238 52.238 51.630 0.607 25933 7512 1 15 . 1 1 59 59 ALA CB C 59 19.006 19.006 19.817 -0.811 25933 7513 1 15 . 1 1 59 59 ALA H H 59 7.812 7.812 8.407 -0.595 25933 7514 1 15 . 1 1 60 60 ALA N N 60 122.703 122.703 125.330 -2.627 25933 7515 1 15 . 1 1 60 60 ALA HA H 60 4.473 4.473 4.434 0.039 25933 7516 1 15 . 1 1 60 60 ALA C C 60 176.087 176.087 176.762 -0.675 25933 7517 1 15 . 1 1 60 60 ALA CA C 60 51.930 51.930 52.831 -0.901 25933 7518 1 15 . 1 1 60 60 ALA CB C 60 23.146 23.146 20.122 3.024 25933 7519 1 15 . 1 1 60 60 ALA H H 60 8.356 8.356 8.530 -0.174 25933 7520 1 15 . 1 1 61 61 SER N N 61 114.279 114.279 113.596 0.683 25933 7521 1 15 . 1 1 61 61 SER HA H 61 4.637 4.637 4.160 0.477 25933 7522 1 15 . 1 1 61 61 SER C C 61 171.865 171.865 172.039 -0.174 25933 7523 1 15 . 1 1 61 61 SER CA C 61 58.060 58.060 56.505 1.556 25933 7524 1 15 . 1 1 61 61 SER CB C 61 66.719 66.719 65.130 1.589 25933 7525 1 15 . 1 1 61 61 SER H H 61 7.427 7.427 7.746 -0.319 25933 7526 1 15 . 1 1 62 62 PHE N N 62 123.075 123.075 118.823 4.252 25933 7527 1 15 . 1 1 62 62 PHE HA H 62 4.342 4.342 4.493 -0.151 25933 7528 1 15 . 1 1 62 62 PHE C C 62 174.547 174.547 175.148 -0.601 25933 7529 1 15 . 1 1 62 62 PHE CA C 62 57.701 57.701 56.310 1.391 25933 7530 1 15 . 1 1 62 62 PHE CB C 62 41.207 41.207 41.150 0.057 25933 7531 1 15 . 1 1 62 62 PHE H H 62 8.193 8.193 7.876 0.317 25933 7532 1 15 . 1 1 63 63 CYS N N 63 126.326 126.326 125.011 1.315 25933 7533 1 15 . 1 1 63 63 CYS HA H 63 4.297 4.297 4.663 -0.366 25933 7534 1 15 . 1 1 63 63 CYS C C 63 176.289 176.289 176.311 -0.022 25933 7535 1 15 . 1 1 63 63 CYS CA C 63 61.098 61.098 58.574 2.525 25933 7536 1 15 . 1 1 63 63 CYS CB C 63 29.621 29.621 28.002 1.619 25933 7537 1 15 . 1 1 63 63 CYS H H 63 9.106 9.106 8.773 0.333 25933 7538 1 15 . 1 1 64 64 GLU N N 64 124.601 124.601 129.624 -5.023 25933 7539 1 15 . 1 1 64 64 GLU HA H 64 4.887 4.887 4.810 0.077 25933 7540 1 15 . 1 1 64 64 GLU C C 64 177.682 177.682 176.604 1.078 25933 7541 1 15 . 1 1 64 64 GLU CA C 64 58.619 58.619 56.845 1.774 25933 7542 1 15 . 1 1 64 64 GLU CB C 64 30.567 30.567 29.601 0.966 25933 7543 1 15 . 1 1 64 64 GLU H H 64 8.911 8.911 9.229 -0.318 25933 7544 1 15 . 1 1 65 65 MET N N 65 121.669 121.669 116.141 5.528 25933 7545 1 15 . 1 1 65 65 MET HA H 65 4.536 4.536 4.733 -0.197 25933 7546 1 15 . 1 1 65 65 MET C C 65 173.906 173.906 175.099 -1.193 25933 7547 1 15 . 1 1 65 65 MET CA C 65 56.157 56.157 55.120 1.038 25933 7548 1 15 . 1 1 65 65 MET CB C 65 33.770 33.770 35.523 -1.753 25933 7549 1 15 . 1 1 65 65 MET H H 65 9.972 9.972 7.850 2.122 25933 7550 1 15 . 1 1 66 66 CYS N N 66 127.827 127.827 114.764 13.063 25933 7551 1 15 . 1 1 66 66 CYS HA H 66 3.424 3.424 4.824 -1.400 25933 7552 1 15 . 1 1 66 66 CYS CA C 66 57.581 57.581 57.139 0.442 25933 7553 1 15 . 1 1 66 66 CYS CB C 66 29.900 29.900 28.064 1.836 25933 7554 1 15 . 1 1 66 66 CYS H H 66 8.286 8.286 7.786 0.500 25933 7555 1 15 . 1 1 67 67 PRO HA H 67 4.660 4.660 4.527 0.133 25933 7556 1 15 . 1 1 67 67 PRO C C 67 176.387 176.387 176.170 0.217 25933 7557 1 15 . 1 1 67 67 PRO CA C 67 64.462 64.462 63.543 0.919 25933 7558 1 15 . 1 1 67 67 PRO CB C 67 31.018 31.018 31.509 -0.491 25933 7559 1 15 . 1 1 68 68 SER N N 68 122.983 122.983 117.598 5.385 25933 7560 1 15 . 1 1 68 68 SER HA H 68 5.148 5.148 4.263 0.885 25933 7561 1 15 . 1 1 68 68 SER C C 68 173.421 173.421 173.361 0.060 25933 7562 1 15 . 1 1 68 68 SER CA C 68 59.799 59.799 58.547 1.252 25933 7563 1 15 . 1 1 68 68 SER CB C 68 64.047 64.047 63.121 0.926 25933 7564 1 15 . 1 1 68 68 SER H H 68 8.864 8.864 7.762 1.102 25933 7565 1 15 . 1 1 69 69 SER N N 69 115.147 115.147 121.064 -5.917 25933 7566 1 15 . 1 1 69 69 SER HA H 69 4.443 4.443 4.684 -0.241 25933 7567 1 15 . 1 1 69 69 SER C C 69 171.436 171.436 172.801 -1.365 25933 7568 1 15 . 1 1 69 69 SER CA C 69 56.585 56.585 56.846 -0.261 25933 7569 1 15 . 1 1 69 69 SER CB C 69 63.959 63.959 65.056 -1.097 25933 7570 1 15 . 1 1 69 69 SER H H 69 7.874 7.874 7.917 -0.043 25933 7571 1 15 . 1 1 70 70 PHE N N 70 112.477 112.477 117.341 -4.864 25933 7572 1 15 . 1 1 70 70 PHE HA H 70 6.052 6.052 5.018 1.034 25933 7573 1 15 . 1 1 70 70 PHE C C 70 176.905 176.905 175.289 1.616 25933 7574 1 15 . 1 1 70 70 PHE CA C 70 57.026 57.026 56.725 0.301 25933 7575 1 15 . 1 1 70 70 PHE CB C 70 45.774 45.774 43.500 2.274 25933 7576 1 15 . 1 1 70 70 PHE H H 70 8.192 8.192 8.599 -0.407 25933 7577 1 15 . 1 1 71 71 CYS N N 71 121.843 121.843 119.114 2.729 25933 7578 1 15 . 1 1 71 71 CYS HA H 71 4.806 4.806 5.001 -0.195 25933 7579 1 15 . 1 1 71 71 CYS C C 71 174.332 174.332 176.005 -1.673 25933 7580 1 15 . 1 1 71 71 CYS CA C 71 58.618 58.618 56.784 1.834 25933 7581 1 15 . 1 1 71 71 CYS CB C 71 30.249 30.249 30.218 0.031 25933 7582 1 15 . 1 1 71 71 CYS H H 71 9.511 9.511 8.631 0.880 25933 7583 1 15 . 1 1 72 72 LYS N N 72 118.091 118.091 119.905 -1.814 25933 7584 1 15 . 1 1 72 72 LYS HA H 72 3.679 3.679 3.813 -0.134 25933 7585 1 15 . 1 1 72 72 LYS C C 72 177.831 177.831 179.282 -1.451 25933 7586 1 15 . 1 1 72 72 LYS CA C 72 60.445 60.445 59.979 0.466 25933 7587 1 15 . 1 1 72 72 LYS CB C 72 32.277 32.277 32.124 0.153 25933 7588 1 15 . 1 1 72 72 LYS H H 72 8.804 8.804 8.681 0.123 25933 7589 1 15 . 1 1 73 73 GLN N N 73 118.381 118.381 117.877 0.504 25933 7590 1 15 . 1 1 73 73 GLN HA H 73 4.078 4.078 4.044 0.034 25933 7591 1 15 . 1 1 73 73 GLN C C 73 177.491 177.491 177.744 -0.253 25933 7592 1 15 . 1 1 73 73 GLN CA C 73 57.894 57.894 58.206 -0.312 25933 7593 1 15 . 1 1 73 73 GLN CB C 73 28.754 28.754 28.647 0.107 25933 7594 1 15 . 1 1 73 73 GLN H H 73 8.139 8.139 7.914 0.225 25933 7595 1 15 . 1 1 74 74 HIS N N 74 117.140 117.140 115.708 1.432 25933 7596 1 15 . 1 1 74 74 HIS HA H 74 5.015 5.015 4.580 0.435 25933 7597 1 15 . 1 1 74 74 HIS C C 74 174.206 174.206 175.522 -1.316 25933 7598 1 15 . 1 1 74 74 HIS CA C 74 57.692 57.692 56.130 1.562 25933 7599 1 15 . 1 1 74 74 HIS CB C 74 32.739 32.739 29.963 2.776 25933 7600 1 15 . 1 1 74 74 HIS H H 74 7.628 7.628 7.435 0.193 25933 7601 1 15 . 1 1 75 75 ARG N N 75 115.977 115.977 117.194 -1.217 25933 7602 1 15 . 1 1 75 75 ARG HA H 75 3.699 3.699 4.223 -0.524 25933 7603 1 15 . 1 1 75 75 ARG C C 75 176.493 176.493 175.795 0.698 25933 7604 1 15 . 1 1 75 75 ARG CA C 75 57.925 57.925 56.543 1.382 25933 7605 1 15 . 1 1 75 75 ARG CB C 75 30.179 30.179 31.196 -1.017 25933 7606 1 15 . 1 1 75 75 ARG H H 75 7.415 7.415 7.611 -0.196 25933 7607 1 15 . 1 1 76 76 GLU N N 76 123.649 123.649 121.640 2.009 25933 7608 1 15 . 1 1 76 76 GLU HA H 76 3.955 3.955 4.141 -0.186 25933 7609 1 15 . 1 1 76 76 GLU C C 76 177.401 177.401 177.211 0.190 25933 7610 1 15 . 1 1 76 76 GLU CA C 76 58.208 58.208 57.487 0.721 25933 7611 1 15 . 1 1 76 76 GLU CB C 76 28.668 28.668 29.426 -0.758 25933 7612 1 15 . 1 1 76 76 GLU H H 76 8.094 8.094 7.496 0.598 25933 7613 1 15 . 1 1 77 77 GLY N N 77 114.787 114.787 113.854 0.933 25933 7614 1 15 . 1 1 77 77 GLY C C 77 174.193 174.193 175.258 -1.065 25933 7615 1 15 . 1 1 77 77 GLY CA C 77 45.502 45.502 46.273 -0.771 25933 7616 1 15 . 1 1 77 77 GLY H H 77 8.831 8.831 9.119 -0.288 25933 7617 1 15 . 1 1 78 78 MET N N 78 115.494 115.494 117.517 -2.023 25933 7618 1 15 . 1 1 78 78 MET HA H 78 4.608 4.608 4.675 -0.067 25933 7619 1 15 . 1 1 78 78 MET C C 78 175.808 175.808 174.751 1.057 25933 7620 1 15 . 1 1 78 78 MET CA C 78 53.865 53.865 54.781 -0.916 25933 7621 1 15 . 1 1 78 78 MET CB C 78 33.146 33.146 34.461 -1.315 25933 7622 1 15 . 1 1 78 78 MET H H 78 7.320 7.320 7.601 -0.281 25933 7623 1 15 . 1 1 79 79 LEU N N 79 116.112 116.112 120.380 -4.268 25933 7624 1 15 . 1 1 79 79 LEU HA H 79 5.083 5.083 4.753 0.330 25933 7625 1 15 . 1 1 79 79 LEU C C 79 175.580 175.580 174.721 0.859 25933 7626 1 15 . 1 1 79 79 LEU CA C 79 52.710 52.710 53.922 -1.212 25933 7627 1 15 . 1 1 79 79 LEU CB C 79 46.268 46.268 45.186 1.082 25933 7628 1 15 . 1 1 79 79 LEU H H 79 6.783 6.783 7.826 -1.043 25933 7629 1 15 . 1 1 80 80 PHE N N 80 121.484 121.484 121.121 0.363 25933 7630 1 15 . 1 1 80 80 PHE HA H 80 4.773 4.773 4.940 -0.167 25933 7631 1 15 . 1 1 80 80 PHE C C 80 174.354 174.354 173.560 0.794 25933 7632 1 15 . 1 1 80 80 PHE CA C 80 56.225 56.225 55.631 0.594 25933 7633 1 15 . 1 1 80 80 PHE CB C 80 42.377 42.377 41.227 1.149 25933 7634 1 15 . 1 1 80 80 PHE H H 80 9.296 9.296 8.353 0.943 25933 7635 1 15 . 1 1 81 81 ILE N N 81 123.854 123.854 121.126 2.728 25933 7636 1 15 . 1 1 81 81 ILE HA H 81 4.088 4.088 4.506 -0.418 25933 7637 1 15 . 1 1 81 81 ILE C C 81 176.829 176.829 176.404 0.425 25933 7638 1 15 . 1 1 81 81 ILE CA C 81 60.636 60.636 60.442 0.194 25933 7639 1 15 . 1 1 81 81 ILE CB C 81 37.486 37.486 37.445 0.041 25933 7640 1 15 . 1 1 81 81 ILE H H 81 8.798 8.798 8.477 0.321 25933 7641 1 15 . 1 1 82 82 SER N N 82 124.730 124.730 122.356 2.374 25933 7642 1 15 . 1 1 82 82 SER HA H 82 4.530 4.530 4.626 -0.096 25933 7643 1 15 . 1 1 82 82 SER C C 82 177.460 177.460 175.509 1.951 25933 7644 1 15 . 1 1 82 82 SER CA C 82 58.180 58.180 58.220 -0.040 25933 7645 1 15 . 1 1 82 82 SER CB C 82 64.054 64.054 63.809 0.244 25933 7646 1 15 . 1 1 82 82 SER H H 82 8.898 8.898 9.100 -0.202 25933 7647 1 15 . 1 1 83 83 LYS N N 83 129.518 129.518 128.248 1.270 25933 7648 1 15 . 1 1 83 83 LYS HA H 83 4.198 4.198 4.217 -0.019 25933 7649 1 15 . 1 1 83 83 LYS C C 83 177.173 177.173 177.048 0.125 25933 7650 1 15 . 1 1 83 83 LYS CA C 83 57.848 57.848 58.568 -0.720 25933 7651 1 15 . 1 1 83 83 LYS CB C 83 32.376 32.376 32.418 -0.042 25933 7652 1 15 . 1 1 83 83 LYS H H 83 9.269 9.269 8.974 0.295 25933 7653 1 15 . 1 1 84 84 LEU N N 84 120.539 120.539 119.657 0.882 25933 7654 1 15 . 1 1 84 84 LEU HA H 84 4.284 4.284 4.242 0.042 25933 7655 1 15 . 1 1 84 84 LEU C C 84 178.443 178.443 178.302 0.141 25933 7656 1 15 . 1 1 84 84 LEU CA C 84 56.827 56.827 57.010 -0.183 25933 7657 1 15 . 1 1 84 84 LEU CB C 84 41.901 41.901 42.650 -0.749 25933 7658 1 15 . 1 1 84 84 LEU H H 84 8.364 8.364 7.740 0.624 25933 7659 1 15 . 1 1 85 85 ASP N N 85 114.333 114.333 115.033 -0.700 25933 7660 1 15 . 1 1 85 85 ASP HA H 85 4.737 4.737 4.805 -0.068 25933 7661 1 15 . 1 1 85 85 ASP C C 85 177.413 177.413 177.235 0.178 25933 7662 1 15 . 1 1 85 85 ASP CA C 85 53.056 53.056 53.966 -0.910 25933 7663 1 15 . 1 1 85 85 ASP CB C 85 42.065 42.065 42.996 -0.931 25933 7664 1 15 . 1 1 85 85 ASP H H 85 7.326 7.326 7.823 -0.497 25933 7665 1 15 . 1 1 86 86 GLY N N 86 108.607 108.607 109.269 -0.662 25933 7666 1 15 . 1 1 86 86 GLY C C 86 174.036 174.036 174.092 -0.056 25933 7667 1 15 . 1 1 86 86 GLY CA C 86 46.037 46.037 45.615 0.422 25933 7668 1 15 . 1 1 86 86 GLY H H 86 7.901 7.901 8.178 -0.277 25933 7669 1 15 . 1 1 87 87 ARG N N 87 120.598 120.598 119.413 1.185 25933 7670 1 15 . 1 1 87 87 ARG HA H 87 4.345 4.345 4.674 -0.329 25933 7671 1 15 . 1 1 87 87 ARG C C 87 175.968 175.968 176.430 -0.462 25933 7672 1 15 . 1 1 87 87 ARG CA C 87 56.810 56.810 55.243 1.567 25933 7673 1 15 . 1 1 87 87 ARG CB C 87 31.934 31.934 31.651 0.283 25933 7674 1 15 . 1 1 87 87 ARG H H 87 7.948 7.948 7.604 0.344 25933 7675 1 15 . 1 1 88 88 LEU N N 88 126.752 126.752 124.963 1.789 25933 7676 1 15 . 1 1 88 88 LEU HA H 88 4.576 4.576 4.582 -0.006 25933 7677 1 15 . 1 1 88 88 LEU C C 88 176.060 176.060 175.943 0.117 25933 7678 1 15 . 1 1 88 88 LEU CA C 88 55.558 55.558 55.560 -0.002 25933 7679 1 15 . 1 1 88 88 LEU CB C 88 42.815 42.815 41.596 1.219 25933 7680 1 15 . 1 1 88 88 LEU H H 88 8.968 8.968 9.236 -0.268 25933 7681 1 15 . 1 1 89 89 SER N N 89 118.859 118.859 119.919 -1.060 25933 7682 1 15 . 1 1 89 89 SER HA H 89 6.146 6.146 5.171 0.975 25933 7683 1 15 . 1 1 89 89 SER C C 89 174.338 174.338 173.676 0.662 25933 7684 1 15 . 1 1 89 89 SER CA C 89 56.311 56.311 56.268 0.043 25933 7685 1 15 . 1 1 89 89 SER CB C 89 67.072 67.072 65.618 1.454 25933 7686 1 15 . 1 1 89 89 SER H H 89 9.083 9.083 8.949 0.134 25933 7687 1 15 . 1 1 90 90 CYS N N 90 128.907 128.907 123.761 5.146 25933 7688 1 15 . 1 1 90 90 CYS HA H 90 5.815 5.815 5.426 0.389 25933 7689 1 15 . 1 1 90 90 CYS C C 90 176.386 176.386 176.811 -0.425 25933 7690 1 15 . 1 1 90 90 CYS CA C 90 58.908 58.908 56.265 2.643 25933 7691 1 15 . 1 1 90 90 CYS CB C 90 29.444 29.444 29.896 -0.452 25933 7692 1 15 . 1 1 90 90 CYS H H 90 10.389 10.389 8.207 2.182 25933 7693 1 15 . 1 1 91 91 THR N N 91 108.692 108.692 112.233 -3.541 25933 7694 1 15 . 1 1 91 91 THR HA H 91 4.398 4.398 4.481 -0.083 25933 7695 1 15 . 1 1 91 91 THR C C 91 175.912 175.912 175.058 0.854 25933 7696 1 15 . 1 1 91 91 THR CA C 91 63.576 63.576 63.007 0.570 25933 7697 1 15 . 1 1 91 91 THR CB C 91 69.172 69.172 67.658 1.514 25933 7698 1 15 . 1 1 91 91 THR H H 91 8.435 8.435 8.342 0.093 25933 7699 1 15 . 1 1 92 92 GLU N N 92 123.418 123.418 120.070 3.348 25933 7700 1 15 . 1 1 92 92 GLU HA H 92 4.280 4.280 4.458 -0.178 25933 7701 1 15 . 1 1 92 92 GLU C C 92 175.937 175.937 175.905 0.032 25933 7702 1 15 . 1 1 92 92 GLU CA C 92 56.582 56.582 55.892 0.691 25933 7703 1 15 . 1 1 92 92 GLU CB C 92 28.887 28.887 30.119 -1.232 25933 7704 1 15 . 1 1 92 92 GLU H H 92 8.626 8.626 7.366 1.260 25933 7705 1 15 . 1 1 93 93 HIS N N 93 117.178 117.178 118.970 -1.792 25933 7706 1 15 . 1 1 93 93 HIS HA H 93 4.789 4.789 4.866 -0.077 25933 7707 1 15 . 1 1 93 93 HIS C C 93 174.016 174.016 174.427 -0.411 25933 7708 1 15 . 1 1 93 93 HIS CA C 93 54.275 54.275 54.215 0.060 25933 7709 1 15 . 1 1 93 93 HIS CB C 93 29.373 29.373 28.793 0.580 25933 7710 1 15 . 1 1 93 93 HIS H H 93 7.244 7.244 7.588 -0.344 25933 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 87 3.373 -0.525 3.352 25933 2 1 1 "Average Difference" HA 99 0.408 -0.031 0.409 25933 3 1 1 "Average Difference" C 83 1.081 -0.298 1.045 25933 4 1 1 "Average Difference" CA 90 1.230 -0.309 1.197 25933 5 1 1 "Average Difference" CB 82 1.532 -0.400 1.488 25933 6 1 1 "Average Difference" HN 87 0.653 -0.175 0.633 25933 7 1 2 "Average Difference" N 87 3.408 -0.534 3.385 25933 8 1 2 "Average Difference" HA 99 0.406 -0.044 0.406 25933 9 1 2 "Average Difference" C 83 1.060 -0.271 1.031 25933 10 1 2 "Average Difference" CA 90 1.213 -0.245 1.195 25933 11 1 2 "Average Difference" CB 82 1.603 -0.498 1.533 25933 12 1 2 "Average Difference" HN 87 0.665 -0.159 0.650 25933 13 1 3 "Average Difference" N 87 3.448 -0.575 3.420 25933 14 1 3 "Average Difference" HA 99 0.429 -0.040 0.429 25933 15 1 3 "Average Difference" C 83 1.116 -0.356 1.064 25933 16 1 3 "Average Difference" CA 90 1.264 -0.371 1.215 25933 17 1 3 "Average Difference" CB 82 1.555 -0.400 1.512 25933 18 1 3 "Average Difference" HN 87 0.669 -0.183 0.647 25933 19 1 4 "Average Difference" N 87 3.586 -0.381 3.587 25933 20 1 4 "Average Difference" HA 99 0.421 -0.053 0.419 25933 21 1 4 "Average Difference" C 83 1.047 -0.271 1.018 25933 22 1 4 "Average Difference" CA 90 1.283 -0.300 1.254 25933 23 1 4 "Average Difference" CB 82 1.641 -0.481 1.578 25933 24 1 4 "Average Difference" HN 87 0.650 -0.179 0.628 25933 25 1 5 "Average Difference" N 87 3.527 -0.429 3.521 25933 26 1 5 "Average Difference" HA 99 0.414 -0.039 0.414 25933 27 1 5 "Average Difference" C 83 1.048 -0.255 1.023 25933 28 1 5 "Average Difference" CA 90 1.212 -0.353 1.166 25933 29 1 5 "Average Difference" CB 82 1.627 -0.453 1.573 25933 30 1 5 "Average Difference" HN 87 0.646 -0.173 0.626 25933 31 1 6 "Average Difference" N 87 3.568 -0.738 3.511 25933 32 1 6 "Average Difference" HA 99 0.401 -0.050 0.400 25933 33 1 6 "Average Difference" C 83 1.061 -0.265 1.034 25933 34 1 6 "Average Difference" CA 90 1.210 -0.286 1.183 25933 35 1 6 "Average Difference" CB 82 1.662 -0.490 1.598 25933 36 1 6 "Average Difference" HN 87 0.649 -0.190 0.625 25933 37 1 7 "Average Difference" N 87 3.485 -0.325 3.490 25933 38 1 7 "Average Difference" HA 99 0.407 -0.050 0.406 25933 39 1 7 "Average Difference" C 83 1.054 -0.251 1.030 25933 40 1 7 "Average Difference" CA 90 1.221 -0.297 1.191 25933 41 1 7 "Average Difference" CB 82 1.582 -0.474 1.519 25933 42 1 7 "Average Difference" HN 87 0.669 -0.172 0.651 25933 43 1 8 "Average Difference" N 87 3.440 -0.285 3.448 25933 44 1 8 "Average Difference" HA 99 0.408 -0.054 0.407 25933 45 1 8 "Average Difference" C 83 1.083 -0.257 1.058 25933 46 1 8 "Average Difference" CA 90 1.227 -0.263 1.205 25933 47 1 8 "Average Difference" CB 82 1.618 -0.448 1.564 25933 48 1 8 "Average Difference" HN 87 0.660 -0.158 0.645 25933 49 1 9 "Average Difference" N 87 3.446 -0.660 3.402 25933 50 1 9 "Average Difference" HA 99 0.403 -0.053 0.401 25933 51 1 9 "Average Difference" C 83 1.053 -0.257 1.027 25933 52 1 9 "Average Difference" CA 90 1.250 -0.303 1.219 25933 53 1 9 "Average Difference" CB 82 1.746 -0.452 1.697 25933 54 1 9 "Average Difference" HN 87 0.673 -0.197 0.647 25933 55 1 10 "Average Difference" N 87 3.450 -0.652 3.408 25933 56 1 10 "Average Difference" HA 99 0.417 -0.030 0.418 25933 57 1 10 "Average Difference" C 83 1.067 -0.304 1.029 25933 58 1 10 "Average Difference" CA 90 1.206 -0.311 1.172 25933 59 1 10 "Average Difference" CB 82 1.600 -0.409 1.557 25933 60 1 10 "Average Difference" HN 87 0.659 -0.143 0.647 25933 61 1 11 "Average Difference" N 87 3.640 -0.545 3.620 25933 62 1 11 "Average Difference" HA 99 0.402 -0.043 0.401 25933 63 1 11 "Average Difference" C 83 1.044 -0.302 1.006 25933 64 1 11 "Average Difference" CA 90 1.231 -0.338 1.190 25933 65 1 11 "Average Difference" CB 82 1.629 -0.428 1.582 25933 66 1 11 "Average Difference" HN 87 0.665 -0.168 0.648 25933 67 1 12 "Average Difference" N 87 3.347 -0.401 3.342 25933 68 1 12 "Average Difference" HA 99 0.395 -0.037 0.395 25933 69 1 12 "Average Difference" C 83 1.047 -0.318 1.004 25933 70 1 12 "Average Difference" CA 90 1.205 -0.328 1.166 25933 71 1 12 "Average Difference" CB 82 1.604 -0.467 1.544 25933 72 1 12 "Average Difference" HN 87 0.651 -0.180 0.629 25933 73 1 13 "Average Difference" N 87 3.450 -0.642 3.409 25933 74 1 13 "Average Difference" HA 99 0.411 -0.037 0.411 25933 75 1 13 "Average Difference" C 83 1.060 -0.223 1.043 25933 76 1 13 "Average Difference" CA 90 1.236 -0.272 1.212 25933 77 1 13 "Average Difference" CB 82 1.619 -0.403 1.578 25933 78 1 13 "Average Difference" HN 87 0.672 -0.196 0.646 25933 79 1 14 "Average Difference" N 87 3.458 -0.404 3.454 25933 80 1 14 "Average Difference" HA 99 0.419 -0.039 0.419 25933 81 1 14 "Average Difference" C 83 1.041 -0.249 1.017 25933 82 1 14 "Average Difference" CA 90 1.245 -0.352 1.201 25933 83 1 14 "Average Difference" CB 82 1.609 -0.542 1.524 25933 84 1 14 "Average Difference" HN 87 0.664 -0.175 0.644 25933 85 1 15 "Average Difference" N 87 3.542 -0.520 3.524 25933 86 1 15 "Average Difference" HA 99 0.407 -0.041 0.407 25933 87 1 15 "Average Difference" C 83 1.085 -0.310 1.046 25933 88 1 15 "Average Difference" CA 90 1.290 -0.335 1.253 25933 89 1 15 "Average Difference" CB 82 1.660 -0.511 1.589 25933 90 1 15 "Average Difference" HN 87 0.649 -0.187 0.625 25933 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 25933 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ALA N N 2 124.503 124.503 123.375 1.128 25933 2 1 . 1 1 2 2 ALA HA H 2 4.337 4.337 4.475 -0.138 25933 3 1 . 1 1 2 2 ALA C C 2 177.688 177.688 177.154 0.534 25933 4 1 . 1 1 2 2 ALA CA C 2 52.598 52.598 52.506 0.092 25933 5 1 . 1 1 2 2 ALA CB C 2 19.375 19.375 18.746 0.629 25933 6 1 . 1 1 2 2 ALA H H 2 8.639 8.639 8.389 0.250 25933 7 1 . 1 1 3 3 MET N N 3 120.183 120.183 118.872 1.311 25933 8 1 . 1 1 3 3 MET HA H 3 4.402 4.402 4.419 -0.017 25933 9 1 . 1 1 3 3 MET C C 3 176.072 176.072 175.528 0.544 25933 10 1 . 1 1 3 3 MET CA C 3 55.636 55.636 55.724 -0.088 25933 11 1 . 1 1 3 3 MET CB C 3 32.936 32.936 32.560 0.376 25933 12 1 . 1 1 3 3 MET H H 3 8.483 8.483 8.062 0.421 25933 13 1 . 1 1 4 4 GLU N N 4 123.573 123.573 120.338 3.235 25933 14 1 . 1 1 4 4 GLU HA H 4 4.255 4.255 4.342 -0.087 25933 15 1 . 1 1 4 4 GLU C C 4 175.719 175.719 175.561 0.158 25933 16 1 . 1 1 4 4 GLU CA C 4 56.516 56.516 56.306 0.210 25933 17 1 . 1 1 4 4 GLU CB C 4 30.209 30.209 30.278 -0.069 25933 18 1 . 1 1 4 4 GLU H H 4 8.417 8.417 8.361 0.056 25933 19 1 . 1 1 5 5 ARG N N 5 121.879 121.879 122.837 -0.958 25933 20 1 . 1 1 5 5 ARG HA H 5 4.327 4.327 4.496 -0.169 25933 21 1 . 1 1 5 5 ARG C C 5 175.991 175.991 175.517 0.474 25933 22 1 . 1 1 5 5 ARG CA C 5 55.879 55.879 55.516 0.363 25933 23 1 . 1 1 5 5 ARG CB C 5 31.336 31.336 31.628 -0.292 25933 24 1 . 1 1 5 5 ARG H H 5 8.099 8.099 8.303 -0.204 25933 25 1 . 1 1 6 6 GLU N N 6 124.508 124.508 124.223 0.285 25933 26 1 . 1 1 6 6 GLU HA H 6 4.245 4.245 4.206 0.039 25933 27 1 . 1 1 6 6 GLU C C 6 174.941 174.941 176.034 -1.093 25933 28 1 . 1 1 6 6 GLU CA C 6 56.775 56.775 56.383 0.392 25933 29 1 . 1 1 6 6 GLU CB C 6 30.421 30.421 30.618 -0.197 25933 30 1 . 1 1 6 6 GLU H H 6 8.560 8.560 8.411 0.149 25933 31 1 . 1 1 7 7 ASP N N 7 117.067 117.067 122.048 -4.981 25933 32 1 . 1 1 7 7 ASP HA H 7 4.520 4.520 4.665 -0.145 25933 33 1 . 1 1 7 7 ASP C C 7 174.744 174.744 174.747 -0.003 25933 34 1 . 1 1 7 7 ASP CA C 7 53.697 53.697 54.084 -0.387 25933 35 1 . 1 1 7 7 ASP CB C 7 42.222 42.222 40.701 1.521 25933 36 1 . 1 1 7 7 ASP H H 7 8.237 8.237 8.548 -0.311 25933 37 1 . 1 1 8 8 GLU N N 8 116.268 116.268 118.944 -2.676 25933 38 1 . 1 1 8 8 GLU HA H 8 4.083 4.083 4.385 -0.302 25933 39 1 . 1 1 8 8 GLU C C 8 173.257 173.257 174.005 -0.748 25933 40 1 . 1 1 8 8 GLU CA C 8 54.382 54.382 55.132 -0.750 25933 41 1 . 1 1 8 8 GLU CB C 8 32.438 32.438 32.634 -0.196 25933 42 1 . 1 1 8 8 GLU H H 8 7.005 7.005 7.461 -0.456 25933 43 1 . 1 1 9 9 CYS N N 9 124.211 124.211 124.642 -0.431 25933 44 1 . 1 1 9 9 CYS HA H 9 4.157 4.157 4.758 -0.601 25933 45 1 . 1 1 9 9 CYS C C 9 178.384 178.384 175.877 2.507 25933 46 1 . 1 1 9 9 CYS CA C 9 57.640 57.640 57.868 -0.228 25933 47 1 . 1 1 9 9 CYS CB C 9 31.396 31.396 26.329 5.067 25933 48 1 . 1 1 9 9 CYS H H 9 8.220 8.220 8.685 -0.465 25933 49 1 . 1 1 10 10 PHE N N 10 131.759 131.759 128.341 3.418 25933 50 1 . 1 1 10 10 PHE HA H 10 4.695 4.695 4.159 0.536 25933 51 1 . 1 1 10 10 PHE C C 10 176.194 176.194 175.859 0.335 25933 52 1 . 1 1 10 10 PHE CA C 10 55.935 55.935 60.710 -4.775 25933 53 1 . 1 1 10 10 PHE CB C 10 38.279 38.279 39.565 -1.286 25933 54 1 . 1 1 10 10 PHE H H 10 8.765 8.765 8.163 0.602 25933 55 1 . 1 1 11 11 SER N N 11 114.027 114.027 114.416 -0.389 25933 56 1 . 1 1 11 11 SER HA H 11 4.331 4.331 4.236 0.095 25933 57 1 . 1 1 11 11 SER C C 11 175.836 175.836 174.823 1.013 25933 58 1 . 1 1 11 11 SER CA C 11 61.956 61.956 60.747 1.209 25933 59 1 . 1 1 11 11 SER CB C 11 63.774 63.774 63.557 0.217 25933 60 1 . 1 1 11 11 SER H H 11 8.686 8.686 8.169 0.517 25933 61 1 . 1 1 12 12 CYS N N 12 118.224 118.224 117.156 1.068 25933 62 1 . 1 1 12 12 CYS HA H 12 5.121 5.121 4.776 0.345 25933 63 1 . 1 1 12 12 CYS C C 12 176.817 176.817 175.769 1.048 25933 64 1 . 1 1 12 12 CYS CA C 12 58.693 58.693 59.121 -0.428 25933 65 1 . 1 1 12 12 CYS CB C 12 32.837 32.837 30.528 2.309 25933 66 1 . 1 1 12 12 CYS H H 12 8.195 8.195 7.558 0.637 25933 67 1 . 1 1 13 13 GLY N N 13 114.509 114.509 109.105 5.404 25933 68 1 . 1 1 13 13 GLY C C 13 173.093 173.093 173.444 -0.351 25933 69 1 . 1 1 13 13 GLY CA C 13 46.346 46.346 45.372 0.974 25933 70 1 . 1 1 13 13 GLY H H 13 8.385 8.385 8.583 -0.198 25933 71 1 . 1 1 14 14 ASP N N 14 122.123 122.123 120.242 1.881 25933 72 1 . 1 1 14 14 ASP HA H 14 5.294 5.294 4.916 0.378 25933 73 1 . 1 1 14 14 ASP C C 14 176.111 176.111 174.657 1.454 25933 74 1 . 1 1 14 14 ASP CA C 14 53.304 53.304 53.653 -0.349 25933 75 1 . 1 1 14 14 ASP CB C 14 43.175 43.175 44.243 -1.068 25933 76 1 . 1 1 14 14 ASP H H 14 8.512 8.512 7.775 0.737 25933 77 1 . 1 1 15 15 ALA N N 15 123.765 123.765 122.840 0.925 25933 78 1 . 1 1 15 15 ALA HA H 15 4.679 4.679 4.573 0.106 25933 79 1 . 1 1 15 15 ALA C C 15 177.375 177.375 176.789 0.586 25933 80 1 . 1 1 15 15 ALA CA C 15 51.216 51.216 51.630 -0.414 25933 81 1 . 1 1 15 15 ALA CB C 15 19.842 19.842 21.103 -1.261 25933 82 1 . 1 1 15 15 ALA H H 15 8.538 8.538 8.421 0.117 25933 83 1 . 1 1 16 16 GLY N N 16 108.898 108.898 109.570 -0.672 25933 84 1 . 1 1 16 16 GLY C C 16 172.132 172.132 173.386 -1.254 25933 85 1 . 1 1 16 16 GLY CA C 16 45.320 45.320 45.442 -0.122 25933 86 1 . 1 1 16 16 GLY H H 16 8.304 8.304 8.170 0.134 25933 87 1 . 1 1 17 17 GLN N N 17 125.473 125.473 123.271 2.202 25933 88 1 . 1 1 17 17 GLN HA H 17 4.359 4.359 4.383 -0.024 25933 89 1 . 1 1 17 17 GLN C C 17 175.263 175.263 174.842 0.421 25933 90 1 . 1 1 17 17 GLN CA C 17 55.779 55.779 55.630 0.149 25933 91 1 . 1 1 17 17 GLN CB C 17 27.927 27.927 28.174 -0.247 25933 92 1 . 1 1 17 17 GLN H H 17 8.887 8.887 8.490 0.397 25933 93 1 . 1 1 18 18 LEU N N 18 127.246 127.246 125.383 1.863 25933 94 1 . 1 1 18 18 LEU HA H 18 4.714 4.714 5.073 -0.359 25933 95 1 . 1 1 18 18 LEU C C 18 177.078 177.078 176.207 0.871 25933 96 1 . 1 1 18 18 LEU CA C 18 53.755 53.755 53.528 0.227 25933 97 1 . 1 1 18 18 LEU CB C 18 44.191 44.191 43.734 0.457 25933 98 1 . 1 1 18 18 LEU H H 18 8.322 8.322 8.026 0.296 25933 99 1 . 1 1 19 19 VAL N N 19 121.280 121.280 123.058 -1.778 25933 100 1 . 1 1 19 19 VAL HA H 19 4.547 4.547 4.414 0.133 25933 101 1 . 1 1 19 19 VAL C C 19 175.238 175.238 174.223 1.015 25933 102 1 . 1 1 19 19 VAL CA C 19 59.975 59.975 60.186 -0.211 25933 103 1 . 1 1 19 19 VAL CB C 19 33.809 33.809 34.660 -0.851 25933 104 1 . 1 1 19 19 VAL H H 19 9.789 9.789 9.133 0.656 25933 105 1 . 1 1 20 20 SER N N 20 118.562 118.562 122.870 -4.308 25933 106 1 . 1 1 20 20 SER HA H 20 5.062 5.062 4.682 0.380 25933 107 1 . 1 1 20 20 SER C C 20 174.439 174.439 174.085 0.354 25933 108 1 . 1 1 20 20 SER CA C 20 57.132 57.132 57.392 -0.260 25933 109 1 . 1 1 20 20 SER CB C 20 64.811 64.811 64.473 0.338 25933 110 1 . 1 1 20 20 SER H H 20 8.638 8.638 8.418 0.220 25933 111 1 . 1 1 21 21 CYS N N 21 125.432 125.432 124.796 0.636 25933 112 1 . 1 1 21 21 CYS HA H 21 4.311 4.311 4.623 -0.312 25933 113 1 . 1 1 21 21 CYS CA C 21 61.656 61.656 59.615 2.040 25933 114 1 . 1 1 21 21 CYS CB C 21 31.029 31.029 27.531 3.498 25933 115 1 . 1 1 21 21 CYS H H 21 8.132 8.132 8.423 -0.291 25933 116 1 . 1 1 22 22 LYS N N 22 125.587 125.587 126.587 -1.000 25933 117 1 . 1 1 22 22 LYS HA H 22 4.648 4.648 4.399 0.249 25933 118 1 . 1 1 22 22 LYS C C 22 177.460 177.460 175.904 1.556 25933 119 1 . 1 1 22 22 LYS H H 22 8.294 8.294 8.718 -0.424 25933 120 1 . 1 1 23 23 LYS N N 23 130.703 130.703 120.962 9.741 25933 121 1 . 1 1 23 23 LYS HA H 23 4.385 4.385 4.742 -0.357 25933 122 1 . 1 1 23 23 LYS CA C 23 55.222 55.222 52.818 2.404 25933 123 1 . 1 1 23 23 LYS CB C 23 33.949 33.949 34.006 -0.057 25933 124 1 . 1 1 23 23 LYS H H 23 9.496 9.496 7.756 1.740 25933 125 1 . 1 1 24 24 PRO HA H 24 4.198 4.198 4.288 -0.090 25933 126 1 . 1 1 24 24 PRO C C 24 177.835 177.835 177.622 0.213 25933 127 1 . 1 1 24 24 PRO CA C 24 64.454 64.454 63.961 0.493 25933 128 1 . 1 1 24 24 PRO CB C 24 31.420 31.420 31.632 -0.212 25933 129 1 . 1 1 25 25 GLY N N 25 114.246 114.246 111.430 2.816 25933 130 1 . 1 1 25 25 GLY C C 25 173.630 173.630 174.077 -0.447 25933 131 1 . 1 1 25 25 GLY CA C 25 45.200 45.200 44.783 0.417 25933 132 1 . 1 1 25 25 GLY H H 25 8.823 8.823 8.730 0.093 25933 133 1 . 1 1 26 26 CYS N N 26 126.002 126.002 122.035 3.967 25933 134 1 . 1 1 26 26 CYS HA H 26 5.014 5.014 4.967 0.047 25933 135 1 . 1 1 26 26 CYS CA C 26 56.747 56.747 55.681 1.066 25933 136 1 . 1 1 26 26 CYS CB C 26 32.711 32.711 27.883 4.828 25933 137 1 . 1 1 26 26 CYS H H 26 8.076 8.076 7.804 0.272 25933 138 1 . 1 1 27 27 PRO HA H 27 4.802 4.802 4.833 -0.031 25933 139 1 . 1 1 27 27 PRO C C 27 175.970 175.970 175.674 0.296 25933 140 1 . 1 1 27 27 PRO CA C 27 63.334 63.334 62.784 0.550 25933 141 1 . 1 1 27 27 PRO CB C 27 32.920 32.920 31.863 1.057 25933 142 1 . 1 1 28 28 LYS N N 28 121.413 121.413 119.837 1.576 25933 143 1 . 1 1 28 28 LYS HA H 28 3.889 3.889 4.267 -0.378 25933 144 1 . 1 1 28 28 LYS C C 28 175.961 175.961 174.629 1.332 25933 145 1 . 1 1 28 28 LYS CA C 28 55.327 55.327 55.657 -0.330 25933 146 1 . 1 1 28 28 LYS CB C 28 32.132 32.132 33.873 -1.741 25933 147 1 . 1 1 28 28 LYS H H 28 8.353 8.353 7.413 0.940 25933 148 1 . 1 1 29 29 VAL N N 29 115.183 115.183 120.281 -5.098 25933 149 1 . 1 1 29 29 VAL HA H 29 5.286 5.286 4.367 0.919 25933 150 1 . 1 1 29 29 VAL C C 29 174.480 174.480 173.211 1.269 25933 151 1 . 1 1 29 29 VAL CA C 29 58.616 58.616 60.084 -1.468 25933 152 1 . 1 1 29 29 VAL CB C 29 35.526 35.526 35.442 0.084 25933 153 1 . 1 1 29 29 VAL H H 29 8.346 8.346 7.989 0.357 25933 154 1 . 1 1 30 30 TYR N N 30 114.639 114.639 120.429 -5.790 25933 155 1 . 1 1 30 30 TYR HA H 30 5.821 5.821 4.708 1.113 25933 156 1 . 1 1 30 30 TYR C C 30 177.221 177.221 174.422 2.799 25933 157 1 . 1 1 30 30 TYR CA C 30 56.989 56.989 56.180 0.809 25933 158 1 . 1 1 30 30 TYR CB C 30 45.110 45.110 42.324 2.786 25933 159 1 . 1 1 30 30 TYR H H 30 8.792 8.792 8.575 0.217 25933 160 1 . 1 1 31 31 HIS N N 31 121.470 121.470 119.044 2.426 25933 161 1 . 1 1 31 31 HIS HA H 31 4.890 4.890 5.151 -0.261 25933 162 1 . 1 1 31 31 HIS C C 31 177.595 177.595 176.259 1.336 25933 163 1 . 1 1 31 31 HIS CA C 31 58.141 58.141 55.381 2.760 25933 164 1 . 1 1 31 31 HIS CB C 31 30.737 30.737 30.857 -0.120 25933 165 1 . 1 1 31 31 HIS H H 31 9.164 9.164 8.268 0.896 25933 166 1 . 1 1 32 32 ALA N N 32 129.786 129.786 127.062 2.724 25933 167 1 . 1 1 32 32 ALA HA H 32 3.829 3.829 3.910 -0.081 25933 168 1 . 1 1 32 32 ALA C C 32 180.494 180.494 178.318 2.176 25933 169 1 . 1 1 32 32 ALA CA C 32 56.044 56.044 55.542 0.502 25933 170 1 . 1 1 32 32 ALA CB C 32 17.179 17.179 18.778 -1.599 25933 171 1 . 1 1 32 32 ALA H H 32 9.768 9.768 8.700 1.068 25933 172 1 . 1 1 33 33 ASP N N 33 114.332 114.332 118.075 -3.743 25933 173 1 . 1 1 33 33 ASP HA H 33 4.521 4.521 4.361 0.160 25933 174 1 . 1 1 33 33 ASP C C 33 179.006 179.006 178.499 0.507 25933 175 1 . 1 1 33 33 ASP CA C 33 56.541 56.541 57.474 -0.933 25933 176 1 . 1 1 33 33 ASP CB C 33 40.316 40.316 40.635 -0.319 25933 177 1 . 1 1 33 33 ASP H H 33 8.832 8.832 8.622 0.210 25933 178 1 . 1 1 34 34 CYS N N 34 119.035 119.035 115.428 3.607 25933 179 1 . 1 1 34 34 CYS HA H 34 4.224 4.224 4.485 -0.261 25933 180 1 . 1 1 34 34 CYS C C 34 175.978 175.978 176.432 -0.454 25933 181 1 . 1 1 34 34 CYS CA C 34 63.491 63.491 59.437 4.054 25933 182 1 . 1 1 34 34 CYS CB C 34 28.925 28.925 26.542 2.383 25933 183 1 . 1 1 34 34 CYS H H 34 7.364 7.364 8.447 -1.083 25933 184 1 . 1 1 35 35 LEU N N 35 118.363 118.363 119.916 -1.553 25933 185 1 . 1 1 35 35 LEU HA H 35 4.404 4.404 4.375 0.029 25933 186 1 . 1 1 35 35 LEU C C 35 176.327 176.327 176.326 0.001 25933 187 1 . 1 1 35 35 LEU CA C 35 53.966 53.966 54.674 -0.708 25933 188 1 . 1 1 35 35 LEU CB C 35 42.982 42.982 42.021 0.961 25933 189 1 . 1 1 35 35 LEU H H 35 7.135 7.135 7.590 -0.455 25933 190 1 . 1 1 36 36 ASN N N 36 116.501 116.501 115.565 0.936 25933 191 1 . 1 1 36 36 ASN HA H 36 4.461 4.461 4.432 0.029 25933 192 1 . 1 1 36 36 ASN C C 36 175.075 175.075 174.903 0.172 25933 193 1 . 1 1 36 36 ASN CA C 36 54.055 54.055 53.972 0.083 25933 194 1 . 1 1 36 36 ASN CB C 36 37.552 37.552 37.059 0.493 25933 195 1 . 1 1 36 36 ASN H H 36 7.974 7.974 7.839 0.135 25933 196 1 . 1 1 37 37 LEU N N 37 119.139 119.139 120.129 -0.990 25933 197 1 . 1 1 37 37 LEU HA H 37 4.472 4.472 4.402 0.070 25933 198 1 . 1 1 37 37 LEU C C 37 178.114 178.114 177.136 0.978 25933 199 1 . 1 1 37 37 LEU CA C 37 54.421 54.421 54.848 -0.427 25933 200 1 . 1 1 37 37 LEU CB C 37 42.937 42.937 39.915 3.022 25933 201 1 . 1 1 37 37 LEU H H 37 7.953 7.953 8.427 -0.474 25933 202 1 . 1 1 38 38 THR N N 38 113.698 113.698 116.762 -3.064 25933 203 1 . 1 1 38 38 THR HA H 38 4.224 4.224 4.169 0.056 25933 204 1 . 1 1 38 38 THR C C 38 174.325 174.325 174.864 -0.539 25933 205 1 . 1 1 38 38 THR CA C 38 62.608 62.608 64.277 -1.669 25933 206 1 . 1 1 38 38 THR CB C 38 69.163 69.163 69.152 0.011 25933 207 1 . 1 1 38 38 THR H H 38 8.465 8.465 7.868 0.597 25933 208 1 . 1 1 39 39 LYS N N 39 120.070 120.070 122.037 -1.967 25933 209 1 . 1 1 39 39 LYS HA H 39 4.383 4.383 4.381 0.002 25933 210 1 . 1 1 39 39 LYS C C 39 175.570 175.570 175.366 0.204 25933 211 1 . 1 1 39 39 LYS CA C 39 54.864 54.864 55.340 -0.476 25933 212 1 . 1 1 39 39 LYS CB C 39 34.079 34.079 33.487 0.592 25933 213 1 . 1 1 39 39 LYS H H 39 7.595 7.595 8.033 -0.438 25933 214 1 . 1 1 40 40 ARG N N 40 123.383 123.383 125.390 -2.007 25933 215 1 . 1 1 40 40 ARG HA H 40 4.163 4.163 4.404 -0.241 25933 216 1 . 1 1 40 40 ARG CA C 40 54.474 54.474 54.522 -0.048 25933 217 1 . 1 1 40 40 ARG CB C 40 29.745 29.745 29.963 -0.218 25933 218 1 . 1 1 40 40 ARG H H 40 8.372 8.372 8.413 -0.041 25933 219 1 . 1 1 41 41 PRO HA H 41 4.081 4.081 4.460 -0.379 25933 220 1 . 1 1 41 41 PRO C C 41 176.215 176.215 175.524 0.691 25933 221 1 . 1 1 41 41 PRO CA C 41 63.151 63.151 62.881 0.270 25933 222 1 . 1 1 41 41 PRO CB C 41 32.154 32.154 32.336 -0.182 25933 223 1 . 1 1 42 42 ALA N N 42 126.233 126.233 124.688 1.545 25933 224 1 . 1 1 42 42 ALA HA H 42 4.447 4.447 4.533 -0.086 25933 225 1 . 1 1 42 42 ALA C C 42 177.947 177.947 177.373 0.574 25933 226 1 . 1 1 42 42 ALA CA C 42 51.741 51.741 51.569 0.172 25933 227 1 . 1 1 42 42 ALA CB C 42 20.295 20.295 20.610 -0.315 25933 228 1 . 1 1 42 42 ALA H H 42 8.368 8.368 8.153 0.215 25933 229 1 . 1 1 43 43 GLY N N 43 108.071 108.071 111.465 -3.394 25933 230 1 . 1 1 43 43 GLY C C 43 174.630 174.630 174.143 0.487 25933 231 1 . 1 1 43 43 GLY CA C 43 45.871 45.871 45.116 0.755 25933 232 1 . 1 1 43 43 GLY H H 43 8.499 8.499 8.425 0.074 25933 233 1 . 1 1 44 44 LYS N N 44 123.859 123.859 124.421 -0.562 25933 234 1 . 1 1 44 44 LYS HA H 44 4.325 4.325 4.516 -0.191 25933 235 1 . 1 1 44 44 LYS CA C 44 56.012 56.012 55.827 0.185 25933 236 1 . 1 1 44 44 LYS CB C 44 31.307 31.307 32.846 -1.539 25933 237 1 . 1 1 44 44 LYS H H 44 8.485 8.485 8.386 0.099 25933 238 1 . 1 1 45 45 TRP N N 45 124.364 124.364 128.023 -3.659 25933 239 1 . 1 1 45 45 TRP HA H 45 4.317 4.317 4.815 -0.498 25933 240 1 . 1 1 45 45 TRP CA C 45 58.972 58.972 56.464 2.508 25933 241 1 . 1 1 45 45 TRP CB C 45 29.468 29.468 31.307 -1.839 25933 242 1 . 1 1 45 45 TRP H H 45 7.419 7.419 8.743 -1.324 25933 243 1 . 1 1 46 46 GLU N N 46 124.890 124.890 127.479 -2.589 25933 244 1 . 1 1 46 46 GLU HA H 46 4.623 4.623 4.350 0.273 25933 245 1 . 1 1 46 46 GLU CA C 46 53.864 53.864 54.488 -0.624 25933 246 1 . 1 1 46 46 GLU H H 46 7.623 7.623 8.159 -0.536 25933 247 1 . 1 1 47 47 CYS N N 47 130.384 130.384 122.430 7.954 25933 248 1 . 1 1 47 47 CYS HA H 47 4.623 4.623 3.694 0.929 25933 249 1 . 1 1 47 47 CYS H H 47 9.574 9.574 7.814 1.760 25933 250 1 . 1 1 48 48 PRO HA H 48 4.704 4.704 4.234 0.470 25933 251 1 . 1 1 48 48 PRO C C 48 177.973 177.973 177.653 0.320 25933 252 1 . 1 1 48 48 PRO CA C 48 64.380 64.380 64.471 -0.091 25933 253 1 . 1 1 48 48 PRO CB C 48 31.545 31.545 31.509 0.035 25933 254 1 . 1 1 49 49 TRP N N 49 124.314 124.314 119.813 4.501 25933 255 1 . 1 1 49 49 TRP HA H 49 5.248 5.248 4.581 0.667 25933 256 1 . 1 1 49 49 TRP C C 49 179.054 179.054 175.297 3.757 25933 257 1 . 1 1 49 49 TRP CA C 49 56.304 56.304 57.541 -1.237 25933 258 1 . 1 1 49 49 TRP CB C 49 31.375 31.375 28.316 3.059 25933 259 1 . 1 1 49 49 TRP H H 49 8.504 8.504 7.851 0.653 25933 260 1 . 1 1 50 50 HIS N N 50 110.531 110.531 112.947 -2.416 25933 261 1 . 1 1 50 50 HIS HA H 50 4.479 4.479 4.741 -0.262 25933 262 1 . 1 1 50 50 HIS C C 50 175.070 175.070 174.789 0.281 25933 263 1 . 1 1 50 50 HIS CA C 50 56.068 56.068 55.042 1.026 25933 264 1 . 1 1 50 50 HIS CB C 50 28.267 28.267 30.386 -2.119 25933 265 1 . 1 1 50 50 HIS H H 50 7.178 7.178 7.619 -0.441 25933 266 1 . 1 1 51 51 GLN N N 51 118.176 118.176 118.485 -0.309 25933 267 1 . 1 1 51 51 GLN HA H 51 4.638 4.638 5.020 -0.382 25933 268 1 . 1 1 51 51 GLN C C 51 172.785 172.785 174.928 -2.143 25933 269 1 . 1 1 51 51 GLN CA C 51 54.266 54.266 53.624 0.642 25933 270 1 . 1 1 51 51 GLN CB C 51 30.779 30.779 31.012 -0.233 25933 271 1 . 1 1 51 51 GLN H H 51 7.243 7.243 7.607 -0.364 25933 272 1 . 1 1 52 52 CYS N N 52 123.532 123.532 126.453 -2.921 25933 273 1 . 1 1 52 52 CYS HA H 52 4.049 4.049 4.520 -0.471 25933 274 1 . 1 1 52 52 CYS C C 52 177.807 177.807 176.286 1.521 25933 275 1 . 1 1 52 52 CYS CA C 52 58.257 58.257 59.325 -1.068 25933 276 1 . 1 1 52 52 CYS CB C 52 31.165 31.165 27.418 3.747 25933 277 1 . 1 1 52 52 CYS H H 52 9.344 9.344 9.158 0.186 25933 278 1 . 1 1 53 53 ASP N N 53 134.328 134.328 128.724 5.604 25933 279 1 . 1 1 53 53 ASP HA H 53 4.190 4.190 4.428 -0.238 25933 280 1 . 1 1 53 53 ASP C C 53 176.732 176.732 176.558 0.174 25933 281 1 . 1 1 53 53 ASP CA C 53 57.384 57.384 56.636 0.748 25933 282 1 . 1 1 53 53 ASP CB C 53 41.122 41.122 40.954 0.168 25933 283 1 . 1 1 53 53 ASP H H 53 9.185 9.185 8.883 0.302 25933 284 1 . 1 1 54 54 VAL N N 54 119.653 119.653 119.398 0.255 25933 285 1 . 1 1 54 54 VAL HA H 54 3.877 3.877 3.988 -0.111 25933 286 1 . 1 1 54 54 VAL C C 54 177.243 177.243 176.831 0.412 25933 287 1 . 1 1 54 54 VAL CA C 54 65.092 65.092 64.663 0.429 25933 288 1 . 1 1 54 54 VAL CB C 54 33.012 33.012 32.616 0.396 25933 289 1 . 1 1 54 54 VAL H H 54 8.796 8.796 7.947 0.849 25933 290 1 . 1 1 55 55 CYS N N 55 115.992 115.992 114.813 1.179 25933 291 1 . 1 1 55 55 CYS HA H 55 5.112 5.112 5.006 0.106 25933 292 1 . 1 1 55 55 CYS C C 55 176.818 176.818 176.125 0.693 25933 293 1 . 1 1 55 55 CYS CA C 55 58.337 58.337 57.715 0.622 25933 294 1 . 1 1 55 55 CYS CB C 55 34.324 34.324 30.119 4.205 25933 295 1 . 1 1 55 55 CYS H H 55 7.604 7.604 8.075 -0.471 25933 296 1 . 1 1 56 56 GLY N N 56 114.227 114.227 110.967 3.260 25933 297 1 . 1 1 56 56 GLY C C 56 173.824 173.824 174.184 -0.360 25933 298 1 . 1 1 56 56 GLY CA C 56 46.409 46.409 45.708 0.701 25933 299 1 . 1 1 56 56 GLY H H 56 8.548 8.548 8.690 -0.142 25933 300 1 . 1 1 57 57 LYS N N 57 122.126 122.126 120.193 1.933 25933 301 1 . 1 1 57 57 LYS HA H 57 4.412 4.412 4.393 0.019 25933 302 1 . 1 1 57 57 LYS C C 57 175.055 175.055 175.787 -0.732 25933 303 1 . 1 1 57 57 LYS CA C 57 56.717 56.717 55.452 1.265 25933 304 1 . 1 1 57 57 LYS CB C 57 33.143 33.143 33.697 -0.554 25933 305 1 . 1 1 57 57 LYS H H 57 8.314 8.314 7.431 0.883 25933 306 1 . 1 1 58 58 GLU N N 58 120.782 120.782 119.864 0.918 25933 307 1 . 1 1 58 58 GLU HA H 58 4.153 4.153 4.290 -0.137 25933 308 1 . 1 1 58 58 GLU C C 58 176.662 176.662 176.152 0.510 25933 309 1 . 1 1 58 58 GLU CA C 58 57.913 57.913 57.184 0.729 25933 310 1 . 1 1 58 58 GLU CB C 58 29.825 29.825 29.994 -0.169 25933 311 1 . 1 1 58 58 GLU H H 58 8.502 8.502 8.584 -0.082 25933 312 1 . 1 1 59 59 ALA N N 59 127.052 127.052 128.361 -1.309 25933 313 1 . 1 1 59 59 ALA HA H 59 3.402 3.402 4.412 -1.011 25933 314 1 . 1 1 59 59 ALA C C 59 175.529 175.529 175.987 -0.458 25933 315 1 . 1 1 59 59 ALA CA C 59 52.238 52.238 51.674 0.563 25933 316 1 . 1 1 59 59 ALA CB C 59 19.006 19.006 19.866 -0.860 25933 317 1 . 1 1 59 59 ALA H H 59 7.812 7.812 8.514 -0.702 25933 318 1 . 1 1 60 60 ALA N N 60 122.703 122.703 124.947 -2.244 25933 319 1 . 1 1 60 60 ALA HA H 60 4.473 4.473 4.418 0.055 25933 320 1 . 1 1 60 60 ALA C C 60 176.087 176.087 176.745 -0.658 25933 321 1 . 1 1 60 60 ALA CA C 60 51.930 51.930 52.317 -0.387 25933 322 1 . 1 1 60 60 ALA CB C 60 23.146 23.146 20.558 2.588 25933 323 1 . 1 1 60 60 ALA H H 60 8.356 8.356 8.493 -0.137 25933 324 1 . 1 1 61 61 SER N N 61 114.279 114.279 114.129 0.150 25933 325 1 . 1 1 61 61 SER HA H 61 4.637 4.637 4.186 0.451 25933 326 1 . 1 1 61 61 SER C C 61 171.865 171.865 172.649 -0.784 25933 327 1 . 1 1 61 61 SER CA C 61 58.060 58.060 56.671 1.389 25933 328 1 . 1 1 61 61 SER CB C 61 66.719 66.719 65.063 1.656 25933 329 1 . 1 1 61 61 SER H H 61 7.427 7.427 7.695 -0.268 25933 330 1 . 1 1 62 62 PHE N N 62 123.075 123.075 119.575 3.500 25933 331 1 . 1 1 62 62 PHE HA H 62 4.342 4.342 4.519 -0.177 25933 332 1 . 1 1 62 62 PHE C C 62 174.547 174.547 175.410 -0.863 25933 333 1 . 1 1 62 62 PHE CA C 62 57.701 57.701 56.007 1.694 25933 334 1 . 1 1 62 62 PHE CB C 62 41.207 41.207 40.942 0.265 25933 335 1 . 1 1 62 62 PHE H H 62 8.193 8.193 7.818 0.375 25933 336 1 . 1 1 63 63 CYS N N 63 126.326 126.326 125.276 1.050 25933 337 1 . 1 1 63 63 CYS HA H 63 4.297 4.297 4.586 -0.289 25933 338 1 . 1 1 63 63 CYS C C 63 176.289 176.289 176.384 -0.095 25933 339 1 . 1 1 63 63 CYS CA C 63 61.098 61.098 58.928 2.170 25933 340 1 . 1 1 63 63 CYS CB C 63 29.621 29.621 27.831 1.790 25933 341 1 . 1 1 63 63 CYS H H 63 9.106 9.106 8.894 0.212 25933 342 1 . 1 1 64 64 GLU N N 64 124.601 124.601 129.621 -5.020 25933 343 1 . 1 1 64 64 GLU HA H 64 4.887 4.887 4.763 0.124 25933 344 1 . 1 1 64 64 GLU C C 64 177.682 177.682 176.593 1.089 25933 345 1 . 1 1 64 64 GLU CA C 64 58.619 58.619 57.235 1.384 25933 346 1 . 1 1 64 64 GLU CB C 64 30.567 30.567 29.644 0.923 25933 347 1 . 1 1 64 64 GLU H H 64 8.911 8.911 9.198 -0.287 25933 348 1 . 1 1 65 65 MET N N 65 121.669 121.669 115.907 5.762 25933 349 1 . 1 1 65 65 MET HA H 65 4.536 4.536 4.750 -0.214 25933 350 1 . 1 1 65 65 MET C C 65 173.906 173.906 175.206 -1.300 25933 351 1 . 1 1 65 65 MET CA C 65 56.157 56.157 55.398 0.759 25933 352 1 . 1 1 65 65 MET CB C 65 33.770 33.770 35.434 -1.664 25933 353 1 . 1 1 65 65 MET H H 65 9.972 9.972 7.975 1.997 25933 354 1 . 1 1 66 66 CYS N N 66 127.827 127.827 114.807 13.020 25933 355 1 . 1 1 66 66 CYS HA H 66 3.424 3.424 4.785 -1.361 25933 356 1 . 1 1 66 66 CYS CA C 66 57.581 57.581 57.002 0.579 25933 357 1 . 1 1 66 66 CYS CB C 66 29.900 29.900 28.339 1.561 25933 358 1 . 1 1 66 66 CYS H H 66 8.286 8.286 7.832 0.454 25933 359 1 . 1 1 67 67 PRO HA H 67 4.660 4.660 4.492 0.168 25933 360 1 . 1 1 67 67 PRO C C 67 176.387 176.387 176.009 0.378 25933 361 1 . 1 1 67 67 PRO CA C 67 64.462 64.462 63.413 1.049 25933 362 1 . 1 1 67 67 PRO CB C 67 31.018 31.018 31.205 -0.187 25933 363 1 . 1 1 68 68 SER N N 68 122.983 122.983 117.531 5.452 25933 364 1 . 1 1 68 68 SER HA H 68 5.148 5.148 4.460 0.688 25933 365 1 . 1 1 68 68 SER C C 68 173.421 173.421 173.378 0.043 25933 366 1 . 1 1 68 68 SER CA C 68 59.799 59.799 58.035 1.764 25933 367 1 . 1 1 68 68 SER CB C 68 64.047 64.047 63.451 0.596 25933 368 1 . 1 1 68 68 SER H H 68 8.864 8.864 7.719 1.145 25933 369 1 . 1 1 69 69 SER N N 69 115.147 115.147 120.662 -5.515 25933 370 1 . 1 1 69 69 SER HA H 69 4.443 4.443 4.655 -0.212 25933 371 1 . 1 1 69 69 SER C C 69 171.436 171.436 172.625 -1.189 25933 372 1 . 1 1 69 69 SER CA C 69 56.585 56.585 56.923 -0.338 25933 373 1 . 1 1 69 69 SER CB C 69 63.959 63.959 65.240 -1.281 25933 374 1 . 1 1 69 69 SER H H 69 7.874 7.874 7.997 -0.123 25933 375 1 . 1 1 70 70 PHE N N 70 112.477 112.477 116.985 -4.508 25933 376 1 . 1 1 70 70 PHE HA H 70 6.052 6.052 5.020 1.032 25933 377 1 . 1 1 70 70 PHE C C 70 176.905 176.905 175.620 1.285 25933 378 1 . 1 1 70 70 PHE CA C 70 57.026 57.026 56.757 0.269 25933 379 1 . 1 1 70 70 PHE CB C 70 45.774 45.774 43.481 2.293 25933 380 1 . 1 1 70 70 PHE H H 70 8.192 8.192 8.597 -0.405 25933 381 1 . 1 1 71 71 CYS N N 71 121.843 121.843 119.250 2.593 25933 382 1 . 1 1 71 71 CYS HA H 71 4.806 4.806 4.963 -0.157 25933 383 1 . 1 1 71 71 CYS C C 71 174.332 174.332 175.963 -1.631 25933 384 1 . 1 1 71 71 CYS CA C 71 58.618 58.618 56.811 1.807 25933 385 1 . 1 1 71 71 CYS CB C 71 30.249 30.249 30.268 -0.019 25933 386 1 . 1 1 71 71 CYS H H 71 9.511 9.511 8.671 0.840 25933 387 1 . 1 1 72 72 LYS N N 72 118.091 118.091 119.572 -1.481 25933 388 1 . 1 1 72 72 LYS HA H 72 3.679 3.679 3.851 -0.172 25933 389 1 . 1 1 72 72 LYS C C 72 177.831 177.831 179.188 -1.357 25933 390 1 . 1 1 72 72 LYS CA C 72 60.445 60.445 59.917 0.527 25933 391 1 . 1 1 72 72 LYS CB C 72 32.277 32.277 32.079 0.198 25933 392 1 . 1 1 72 72 LYS H H 72 8.804 8.804 8.692 0.112 25933 393 1 . 1 1 73 73 GLN N N 73 118.381 118.381 117.175 1.206 25933 394 1 . 1 1 73 73 GLN HA H 73 4.078 4.078 4.082 -0.004 25933 395 1 . 1 1 73 73 GLN C C 73 177.491 177.491 177.860 -0.369 25933 396 1 . 1 1 73 73 GLN CA C 73 57.894 57.894 58.024 -0.130 25933 397 1 . 1 1 73 73 GLN CB C 73 28.754 28.754 28.825 -0.071 25933 398 1 . 1 1 73 73 GLN H H 73 8.139 8.139 7.777 0.362 25933 399 1 . 1 1 74 74 HIS N N 74 117.140 117.140 115.581 1.559 25933 400 1 . 1 1 74 74 HIS HA H 74 5.015 5.015 4.633 0.382 25933 401 1 . 1 1 74 74 HIS C C 74 174.206 174.206 175.748 -1.542 25933 402 1 . 1 1 74 74 HIS CA C 74 57.692 57.692 56.237 1.455 25933 403 1 . 1 1 74 74 HIS CB C 74 32.739 32.739 29.957 2.782 25933 404 1 . 1 1 74 74 HIS H H 74 7.628 7.628 7.453 0.175 25933 405 1 . 1 1 75 75 ARG N N 75 115.977 115.977 117.896 -1.919 25933 406 1 . 1 1 75 75 ARG HA H 75 3.699 3.699 4.220 -0.521 25933 407 1 . 1 1 75 75 ARG C C 75 176.493 176.493 175.812 0.681 25933 408 1 . 1 1 75 75 ARG CA C 75 57.925 57.925 57.186 0.739 25933 409 1 . 1 1 75 75 ARG CB C 75 30.179 30.179 30.812 -0.633 25933 410 1 . 1 1 75 75 ARG H H 75 7.415 7.415 7.722 -0.307 25933 411 1 . 1 1 76 76 GLU N N 76 123.649 123.649 121.483 2.166 25933 412 1 . 1 1 76 76 GLU HA H 76 3.955 3.955 4.132 -0.177 25933 413 1 . 1 1 76 76 GLU C C 76 177.401 177.401 177.282 0.119 25933 414 1 . 1 1 76 76 GLU CA C 76 58.208 58.208 57.443 0.765 25933 415 1 . 1 1 76 76 GLU CB C 76 28.668 28.668 29.282 -0.614 25933 416 1 . 1 1 76 76 GLU H H 76 8.094 8.094 7.505 0.589 25933 417 1 . 1 1 77 77 GLY N N 77 114.787 114.787 114.101 0.686 25933 418 1 . 1 1 77 77 GLY C C 77 174.193 174.193 174.984 -0.791 25933 419 1 . 1 1 77 77 GLY CA C 77 45.502 45.502 46.337 -0.835 25933 420 1 . 1 1 77 77 GLY H H 77 8.831 8.831 9.068 -0.237 25933 421 1 . 1 1 78 78 MET N N 78 115.494 115.494 117.632 -2.138 25933 422 1 . 1 1 78 78 MET HA H 78 4.608 4.608 4.522 0.086 25933 423 1 . 1 1 78 78 MET C C 78 175.808 175.808 175.054 0.754 25933 424 1 . 1 1 78 78 MET CA C 78 53.865 53.865 55.059 -1.194 25933 425 1 . 1 1 78 78 MET CB C 78 33.146 33.146 33.893 -0.747 25933 426 1 . 1 1 78 78 MET H H 78 7.320 7.320 7.494 -0.174 25933 427 1 . 1 1 79 79 LEU N N 79 116.112 116.112 119.984 -3.872 25933 428 1 . 1 1 79 79 LEU HA H 79 5.083 5.083 4.721 0.362 25933 429 1 . 1 1 79 79 LEU C C 79 175.580 175.580 174.652 0.928 25933 430 1 . 1 1 79 79 LEU CA C 79 52.710 52.710 53.880 -1.170 25933 431 1 . 1 1 79 79 LEU CB C 79 46.268 46.268 45.239 1.029 25933 432 1 . 1 1 79 79 LEU H H 79 6.783 6.783 7.680 -0.897 25933 433 1 . 1 1 80 80 PHE N N 80 121.484 121.484 120.819 0.665 25933 434 1 . 1 1 80 80 PHE HA H 80 4.773 4.773 4.933 -0.160 25933 435 1 . 1 1 80 80 PHE C C 80 174.354 174.354 173.586 0.768 25933 436 1 . 1 1 80 80 PHE CA C 80 56.225 56.225 55.614 0.611 25933 437 1 . 1 1 80 80 PHE CB C 80 42.377 42.377 41.286 1.091 25933 438 1 . 1 1 80 80 PHE H H 80 9.296 9.296 8.334 0.962 25933 439 1 . 1 1 81 81 ILE N N 81 123.854 123.854 120.831 3.023 25933 440 1 . 1 1 81 81 ILE HA H 81 4.088 4.088 4.487 -0.399 25933 441 1 . 1 1 81 81 ILE C C 81 176.829 176.829 176.285 0.544 25933 442 1 . 1 1 81 81 ILE CA C 81 60.636 60.636 60.492 0.144 25933 443 1 . 1 1 81 81 ILE CB C 81 37.486 37.486 37.462 0.024 25933 444 1 . 1 1 81 81 ILE H H 81 8.798 8.798 8.469 0.329 25933 445 1 . 1 1 82 82 SER N N 82 124.730 124.730 122.466 2.264 25933 446 1 . 1 1 82 82 SER HA H 82 4.530 4.530 4.631 -0.101 25933 447 1 . 1 1 82 82 SER C C 82 177.460 177.460 175.361 2.099 25933 448 1 . 1 1 82 82 SER CA C 82 58.180 58.180 58.213 -0.033 25933 449 1 . 1 1 82 82 SER CB C 82 64.054 64.054 64.212 -0.158 25933 450 1 . 1 1 82 82 SER H H 82 8.898 8.898 9.013 -0.115 25933 451 1 . 1 1 83 83 LYS N N 83 129.518 129.518 127.898 1.620 25933 452 1 . 1 1 83 83 LYS HA H 83 4.198 4.198 4.212 -0.014 25933 453 1 . 1 1 83 83 LYS C C 83 177.173 177.173 177.150 0.023 25933 454 1 . 1 1 83 83 LYS CA C 83 57.848 57.848 58.596 -0.748 25933 455 1 . 1 1 83 83 LYS CB C 83 32.376 32.376 32.396 -0.020 25933 456 1 . 1 1 83 83 LYS H H 83 9.269 9.269 8.886 0.383 25933 457 1 . 1 1 84 84 LEU N N 84 120.539 120.539 119.885 0.654 25933 458 1 . 1 1 84 84 LEU HA H 84 4.284 4.284 4.225 0.059 25933 459 1 . 1 1 84 84 LEU C C 84 178.443 178.443 178.416 0.027 25933 460 1 . 1 1 84 84 LEU CA C 84 56.827 56.827 57.078 -0.251 25933 461 1 . 1 1 84 84 LEU CB C 84 41.901 41.901 42.458 -0.557 25933 462 1 . 1 1 84 84 LEU H H 84 8.364 8.364 7.735 0.629 25933 463 1 . 1 1 85 85 ASP N N 85 114.333 114.333 115.451 -1.118 25933 464 1 . 1 1 85 85 ASP HA H 85 4.737 4.737 4.793 -0.056 25933 465 1 . 1 1 85 85 ASP C C 85 177.413 177.413 177.251 0.162 25933 466 1 . 1 1 85 85 ASP CA C 85 53.056 53.056 54.323 -1.267 25933 467 1 . 1 1 85 85 ASP CB C 85 42.065 42.065 42.623 -0.558 25933 468 1 . 1 1 85 85 ASP H H 85 7.326 7.326 8.067 -0.741 25933 469 1 . 1 1 86 86 GLY N N 86 108.607 108.607 108.733 -0.126 25933 470 1 . 1 1 86 86 GLY C C 86 174.036 174.036 174.036 -0.000 25933 471 1 . 1 1 86 86 GLY CA C 86 46.037 46.037 45.666 0.371 25933 472 1 . 1 1 86 86 GLY H H 86 7.901 7.901 8.149 -0.248 25933 473 1 . 1 1 87 87 ARG N N 87 120.598 120.598 119.309 1.289 25933 474 1 . 1 1 87 87 ARG HA H 87 4.345 4.345 4.599 -0.254 25933 475 1 . 1 1 87 87 ARG C C 87 175.968 175.968 176.399 -0.431 25933 476 1 . 1 1 87 87 ARG CA C 87 56.810 56.810 55.021 1.789 25933 477 1 . 1 1 87 87 ARG CB C 87 31.934 31.934 31.708 0.226 25933 478 1 . 1 1 87 87 ARG H H 87 7.948 7.948 7.688 0.260 25933 479 1 . 1 1 88 88 LEU N N 88 126.752 126.752 124.406 2.346 25933 480 1 . 1 1 88 88 LEU HA H 88 4.576 4.576 4.623 -0.047 25933 481 1 . 1 1 88 88 LEU C C 88 176.060 176.060 176.124 -0.064 25933 482 1 . 1 1 88 88 LEU CA C 88 55.558 55.558 55.592 -0.034 25933 483 1 . 1 1 88 88 LEU CB C 88 42.815 42.815 41.778 1.037 25933 484 1 . 1 1 88 88 LEU H H 88 8.968 8.968 9.272 -0.304 25933 485 1 . 1 1 89 89 SER N N 89 118.859 118.859 119.558 -0.699 25933 486 1 . 1 1 89 89 SER HA H 89 6.146 6.146 5.144 1.002 25933 487 1 . 1 1 89 89 SER C C 89 174.338 174.338 173.537 0.801 25933 488 1 . 1 1 89 89 SER CA C 89 56.311 56.311 56.210 0.101 25933 489 1 . 1 1 89 89 SER CB C 89 67.072 67.072 65.628 1.444 25933 490 1 . 1 1 89 89 SER H H 89 9.083 9.083 8.975 0.108 25933 491 1 . 1 1 90 90 CYS N N 90 128.907 128.907 123.985 4.922 25933 492 1 . 1 1 90 90 CYS HA H 90 5.815 5.815 5.415 0.400 25933 493 1 . 1 1 90 90 CYS C C 90 176.386 176.386 177.113 -0.727 25933 494 1 . 1 1 90 90 CYS CA C 90 58.908 58.908 56.094 2.814 25933 495 1 . 1 1 90 90 CYS CB C 90 29.444 29.444 30.170 -0.726 25933 496 1 . 1 1 90 90 CYS H H 90 10.389 10.389 8.255 2.134 25933 497 1 . 1 1 91 91 THR N N 91 108.692 108.692 112.214 -3.522 25933 498 1 . 1 1 91 91 THR HA H 91 4.398 4.398 4.427 -0.029 25933 499 1 . 1 1 91 91 THR C C 91 175.912 175.912 175.088 0.824 25933 500 1 . 1 1 91 91 THR CA C 91 63.576 63.576 63.797 -0.221 25933 501 1 . 1 1 91 91 THR CB C 91 69.172 69.172 68.214 0.958 25933 502 1 . 1 1 91 91 THR H H 91 8.435 8.435 8.437 -0.002 25933 503 1 . 1 1 92 92 GLU N N 92 123.418 123.418 119.701 3.717 25933 504 1 . 1 1 92 92 GLU HA H 92 4.280 4.280 4.402 -0.122 25933 505 1 . 1 1 92 92 GLU C C 92 175.937 175.937 176.346 -0.409 25933 506 1 . 1 1 92 92 GLU CA C 92 56.582 56.582 56.343 0.240 25933 507 1 . 1 1 92 92 GLU CB C 92 28.887 28.887 29.502 -0.615 25933 508 1 . 1 1 92 92 GLU H H 92 8.626 8.626 7.633 0.993 25933 509 1 . 1 1 93 93 HIS N N 93 117.178 117.178 118.230 -1.052 25933 510 1 . 1 1 93 93 HIS HA H 93 4.789 4.789 4.864 -0.075 25933 511 1 . 1 1 93 93 HIS C C 93 174.016 174.016 174.155 -0.139 25933 512 1 . 1 1 93 93 HIS CA C 93 54.275 54.275 54.439 -0.164 25933 513 1 . 1 1 93 93 HIS CB C 93 29.373 29.373 29.203 0.170 25933 514 1 . 1 1 93 93 HIS H H 93 7.244 7.244 7.617 -0.373 25933 stop_ save_