data_25124 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25124 _Entry.PDB_ID 2MSK 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 25124 _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 GLN HA H 2 4.453 4.453 4.492 -0.039 25124 2 1 1 . 1 1 2 2 GLN C C 2 174.930 174.930 175.245 -0.315 25124 3 1 1 . 1 1 2 2 GLN CA C 2 55.627 55.627 56.106 -0.479 25124 4 1 1 . 1 1 2 2 GLN CB C 2 29.312 29.312 30.276 -0.964 25124 5 1 1 . 1 1 3 3 ARG N N 3 121.349 121.349 124.740 -3.391 25124 6 1 1 . 1 1 3 3 ARG HA H 3 4.390 4.390 4.055 0.335 25124 7 1 1 . 1 1 3 3 ARG C C 3 175.723 175.723 174.071 1.652 25124 8 1 1 . 1 1 3 3 ARG CA C 3 56.041 56.041 57.120 -1.079 25124 9 1 1 . 1 1 3 3 ARG CB C 3 31.395 31.395 30.276 1.119 25124 10 1 1 . 1 1 3 3 ARG H H 3 8.451 8.451 8.509 -0.058 25124 11 1 1 . 1 1 4 4 GLY N N 4 107.889 107.889 106.545 1.344 25124 12 1 1 . 1 1 4 4 GLY C C 4 171.122 171.122 172.474 -1.352 25124 13 1 1 . 1 1 4 4 GLY CA C 4 45.333 45.333 44.587 0.746 25124 14 1 1 . 1 1 4 4 GLY H H 4 8.037 8.037 8.284 -0.247 25124 15 1 1 . 1 1 5 5 ILE N N 5 122.674 122.674 120.730 1.944 25124 16 1 1 . 1 1 5 5 ILE HA H 5 4.731 4.731 4.046 0.685 25124 17 1 1 . 1 1 5 5 ILE C C 5 175.459 175.459 175.288 0.171 25124 18 1 1 . 1 1 5 5 ILE CA C 5 60.614 60.614 62.433 -1.819 25124 19 1 1 . 1 1 5 5 ILE CB C 5 39.535 39.535 38.653 0.882 25124 20 1 1 . 1 1 5 5 ILE H H 5 9.605 9.605 8.072 1.533 25124 21 1 1 . 1 1 6 6 VAL N N 6 127.532 127.532 126.390 1.142 25124 22 1 1 . 1 1 6 6 VAL HA H 6 4.892 4.892 4.341 0.551 25124 23 1 1 . 1 1 6 6 VAL C C 6 174.110 174.110 174.422 -0.312 25124 24 1 1 . 1 1 6 6 VAL CA C 6 59.255 59.255 61.420 -2.165 25124 25 1 1 . 1 1 6 6 VAL CB C 6 34.530 34.530 33.724 0.806 25124 26 1 1 . 1 1 6 6 VAL H H 6 9.135 9.135 8.150 0.985 25124 27 1 1 . 1 1 7 7 TRP N N 7 127.409 127.409 128.126 -0.717 25124 28 1 1 . 1 1 7 7 TRP HA H 7 6.447 6.447 5.024 1.423 25124 29 1 1 . 1 1 7 7 TRP C C 7 175.089 175.089 175.015 0.074 25124 30 1 1 . 1 1 7 7 TRP CA C 7 52.797 52.797 54.058 -1.261 25124 31 1 1 . 1 1 7 7 TRP CB C 7 33.255 33.255 30.578 2.677 25124 32 1 1 . 1 1 7 7 TRP H H 7 8.544 8.544 8.120 0.424 25124 33 1 1 . 1 1 8 8 VAL N N 8 122.270 122.270 125.966 -3.696 25124 34 1 1 . 1 1 8 8 VAL HA H 8 5.135 5.135 4.550 0.585 25124 35 1 1 . 1 1 8 8 VAL C C 8 173.820 173.820 174.290 -0.470 25124 36 1 1 . 1 1 8 8 VAL CA C 8 60.457 60.457 60.733 -0.277 25124 37 1 1 . 1 1 8 8 VAL CB C 8 35.893 35.893 33.797 2.096 25124 38 1 1 . 1 1 8 8 VAL H H 8 8.643 8.643 8.724 -0.081 25124 39 1 1 . 1 1 9 9 VAL N N 9 126.806 126.806 127.733 -0.927 25124 40 1 1 . 1 1 9 9 VAL HA H 9 5.192 5.192 4.268 0.924 25124 41 1 1 . 1 1 9 9 VAL C C 9 172.550 172.550 174.191 -1.641 25124 42 1 1 . 1 1 9 9 VAL CA C 9 58.384 58.384 61.752 -3.368 25124 43 1 1 . 1 1 9 9 VAL CB C 9 34.135 34.135 31.878 2.257 25124 44 1 1 . 1 1 9 9 VAL H H 9 9.113 9.113 8.730 0.383 25124 45 1 1 . 1 1 10 10 ASP N N 10 125.011 125.011 125.436 -0.425 25124 46 1 1 . 1 1 10 10 ASP HA H 10 4.554 4.554 4.856 -0.302 25124 47 1 1 . 1 1 10 10 ASP C C 10 174.877 174.877 174.275 0.602 25124 48 1 1 . 1 1 10 10 ASP CA C 10 55.066 55.066 52.870 2.196 25124 49 1 1 . 1 1 10 10 ASP CB C 10 44.131 44.131 43.955 0.176 25124 50 1 1 . 1 1 10 10 ASP H H 10 7.881 7.881 8.027 -0.146 25124 51 1 1 . 1 1 11 11 ASP N N 11 124.048 124.048 121.051 2.997 25124 52 1 1 . 1 1 11 11 ASP HA H 11 4.613 4.613 4.834 -0.221 25124 53 1 1 . 1 1 11 11 ASP C C 11 175.089 175.089 174.543 0.546 25124 54 1 1 . 1 1 11 11 ASP CA C 11 55.346 55.346 54.557 0.789 25124 55 1 1 . 1 1 11 11 ASP CB C 11 39.583 39.583 40.731 -1.148 25124 56 1 1 . 1 1 11 11 ASP H H 11 9.166 9.166 8.485 0.681 25124 57 1 1 . 1 1 12 12 ASP N N 12 125.165 125.165 121.088 4.077 25124 58 1 1 . 1 1 12 12 ASP HA H 12 4.757 4.757 4.721 0.036 25124 59 1 1 . 1 1 12 12 ASP C C 12 176.993 176.993 175.853 1.140 25124 60 1 1 . 1 1 12 12 ASP CA C 12 53.112 53.112 54.474 -1.362 25124 61 1 1 . 1 1 12 12 ASP CB C 12 41.072 41.072 44.064 -2.992 25124 62 1 1 . 1 1 12 12 ASP H H 12 10.290 10.290 7.687 2.603 25124 63 1 1 . 1 1 13 13 SER N N 13 123.818 123.818 120.272 3.546 25124 64 1 1 . 1 1 13 13 SER HA H 13 3.719 3.719 4.229 -0.510 25124 65 1 1 . 1 1 13 13 SER C C 13 176.146 176.146 176.042 0.104 25124 66 1 1 . 1 1 13 13 SER CA C 13 61.341 61.341 60.786 0.555 25124 67 1 1 . 1 1 13 13 SER CB C 13 62.638 62.638 63.467 -0.829 25124 68 1 1 . 1 1 13 13 SER H H 13 8.993 8.993 8.695 0.298 25124 69 1 1 . 1 1 14 14 SER N N 14 118.714 118.714 118.077 0.637 25124 70 1 1 . 1 1 14 14 SER HA H 14 4.322 4.322 4.315 0.007 25124 71 1 1 . 1 1 14 14 SER C C 14 176.411 176.411 176.094 0.317 25124 72 1 1 . 1 1 14 14 SER CA C 14 61.717 61.717 61.316 0.402 25124 73 1 1 . 1 1 14 14 SER CB C 14 62.554 62.554 63.194 -0.640 25124 74 1 1 . 1 1 14 14 SER H H 14 8.499 8.499 7.971 0.528 25124 75 1 1 . 1 1 15 15 ILE N N 15 122.822 122.822 118.979 3.843 25124 76 1 1 . 1 1 15 15 ILE HA H 15 3.972 3.972 3.988 -0.016 25124 77 1 1 . 1 1 15 15 ILE C C 15 177.786 177.786 177.854 -0.068 25124 78 1 1 . 1 1 15 15 ILE CA C 15 60.784 60.784 61.346 -0.562 25124 79 1 1 . 1 1 15 15 ILE CB C 15 36.016 36.016 36.703 -0.687 25124 80 1 1 . 1 1 15 15 ILE H H 15 7.011 7.011 7.425 -0.414 25124 81 1 1 . 1 1 16 16 ARG N N 16 116.580 116.580 120.864 -4.284 25124 82 1 1 . 1 1 16 16 ARG HA H 16 3.711 3.711 4.158 -0.447 25124 83 1 1 . 1 1 16 16 ARG C C 16 177.336 177.336 178.076 -0.740 25124 84 1 1 . 1 1 16 16 ARG CA C 16 61.632 61.632 59.743 1.889 25124 85 1 1 . 1 1 16 16 ARG CB C 16 30.520 30.520 30.381 0.139 25124 86 1 1 . 1 1 16 16 ARG H H 16 7.370 7.370 7.779 -0.409 25124 87 1 1 . 1 1 17 17 TRP N N 17 116.893 116.893 121.810 -4.917 25124 88 1 1 . 1 1 17 17 TRP HA H 17 4.481 4.481 4.396 0.085 25124 89 1 1 . 1 1 17 17 TRP C C 17 178.394 178.394 177.786 0.608 25124 90 1 1 . 1 1 17 17 TRP CA C 17 60.482 60.482 61.417 -0.935 25124 91 1 1 . 1 1 17 17 TRP CB C 17 29.372 29.372 29.680 -0.308 25124 92 1 1 . 1 1 17 17 TRP H H 17 8.020 8.020 8.369 -0.349 25124 93 1 1 . 1 1 18 18 VAL N N 18 116.799 116.799 117.131 -0.332 25124 94 1 1 . 1 1 18 18 VAL HA H 18 3.662 3.662 2.828 0.834 25124 95 1 1 . 1 1 18 18 VAL C C 18 179.161 179.161 177.754 1.407 25124 96 1 1 . 1 1 18 18 VAL CA C 18 65.858 65.858 65.290 0.568 25124 97 1 1 . 1 1 18 18 VAL CB C 18 31.792 31.792 30.345 1.447 25124 98 1 1 . 1 1 18 18 VAL H H 18 8.085 8.085 7.510 0.575 25124 99 1 1 . 1 1 19 19 LEU N N 19 119.595 119.595 120.505 -0.910 25124 100 1 1 . 1 1 19 19 LEU HA H 19 4.083 4.083 3.989 0.094 25124 101 1 1 . 1 1 19 19 LEU C C 19 177.759 177.759 178.838 -1.079 25124 102 1 1 . 1 1 19 19 LEU CA C 19 57.971 57.971 58.036 -0.065 25124 103 1 1 . 1 1 19 19 LEU CB C 19 41.863 41.863 40.799 1.064 25124 104 1 1 . 1 1 19 19 LEU H H 19 8.035 8.035 7.362 0.673 25124 105 1 1 . 1 1 20 20 GLU N N 20 120.318 120.318 119.263 1.055 25124 106 1 1 . 1 1 20 20 GLU HA H 20 4.007 4.007 3.958 0.049 25124 107 1 1 . 1 1 20 20 GLU C C 20 178.500 178.500 179.273 -0.773 25124 108 1 1 . 1 1 20 20 GLU CA C 20 60.567 60.567 59.025 1.542 25124 109 1 1 . 1 1 20 20 GLU CB C 20 29.073 29.073 29.439 -0.366 25124 110 1 1 . 1 1 20 20 GLU H H 20 8.417 8.417 7.946 0.471 25124 111 1 1 . 1 1 21 21 ARG N N 21 115.981 115.981 118.352 -2.371 25124 112 1 1 . 1 1 21 21 ARG HA H 21 3.898 3.898 4.038 -0.140 25124 113 1 1 . 1 1 21 21 ARG C C 21 179.769 179.769 177.148 2.621 25124 114 1 1 . 1 1 21 21 ARG CA C 21 58.491 58.491 58.109 0.382 25124 115 1 1 . 1 1 21 21 ARG CB C 21 29.966 29.966 29.956 0.010 25124 116 1 1 . 1 1 21 21 ARG H H 21 7.579 7.579 8.083 -0.504 25124 117 1 1 . 1 1 22 22 ALA N N 22 122.267 122.267 121.950 0.317 25124 118 1 1 . 1 1 22 22 ALA HA H 22 4.110 4.110 4.085 0.025 25124 119 1 1 . 1 1 22 22 ALA C C 22 180.456 180.456 179.236 1.220 25124 120 1 1 . 1 1 22 22 ALA CA C 22 54.643 54.643 54.523 0.120 25124 121 1 1 . 1 1 22 22 ALA CB C 22 19.225 19.225 19.016 0.209 25124 122 1 1 . 1 1 22 22 ALA H H 22 7.933 7.933 7.450 0.483 25124 123 1 1 . 1 1 23 23 LEU N N 23 118.139 118.139 119.340 -1.201 25124 124 1 1 . 1 1 23 23 LEU HA H 23 4.005 4.005 3.937 0.068 25124 125 1 1 . 1 1 23 23 LEU C C 23 178.843 178.843 179.265 -0.422 25124 126 1 1 . 1 1 23 23 LEU CA C 23 57.765 57.765 57.785 -0.020 25124 127 1 1 . 1 1 23 23 LEU CB C 23 39.919 39.919 41.452 -1.533 25124 128 1 1 . 1 1 23 23 LEU H H 23 8.855 8.855 8.080 0.775 25124 129 1 1 . 1 1 24 24 ALA N N 24 122.164 122.164 120.683 1.481 25124 130 1 1 . 1 1 24 24 ALA HA H 24 4.665 4.665 4.016 0.649 25124 131 1 1 . 1 1 24 24 ALA C C 24 183.206 183.206 179.474 3.732 25124 132 1 1 . 1 1 24 24 ALA CA C 24 54.812 54.812 54.616 0.196 25124 133 1 1 . 1 1 24 24 ALA CB C 24 17.820 17.820 18.408 -0.588 25124 134 1 1 . 1 1 24 24 ALA H H 24 8.238 8.238 7.616 0.622 25124 135 1 1 . 1 1 25 25 GLY N N 25 106.903 106.903 104.978 1.925 25124 136 1 1 . 1 1 25 25 GLY C C 25 174.375 174.375 175.138 -0.763 25124 137 1 1 . 1 1 25 25 GLY CA C 25 46.550 46.550 45.517 1.033 25124 138 1 1 . 1 1 25 25 GLY H H 25 7.907 7.907 8.050 -0.143 25124 139 1 1 . 1 1 26 26 ALA N N 26 121.832 121.832 123.079 -1.247 25124 140 1 1 . 1 1 26 26 ALA HA H 26 4.505 4.505 4.599 -0.094 25124 141 1 1 . 1 1 26 26 ALA CA C 26 51.585 51.585 51.421 0.164 25124 142 1 1 . 1 1 26 26 ALA CB C 26 18.799 18.799 18.985 -0.186 25124 143 1 1 . 1 1 26 26 ALA H H 26 7.316 7.316 7.642 -0.326 25124 144 1 1 . 1 1 27 27 GLY N N 27 106.146 106.146 106.757 -0.611 25124 145 1 1 . 1 1 27 27 GLY C C 27 174.057 174.057 174.325 -0.268 25124 146 1 1 . 1 1 27 27 GLY CA C 27 45.333 45.333 45.213 0.120 25124 147 1 1 . 1 1 27 27 GLY H H 27 7.868 7.868 7.922 -0.054 25124 148 1 1 . 1 1 28 28 LEU N N 28 120.273 120.273 120.921 -0.648 25124 149 1 1 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.249 0.326 25124 150 1 1 . 1 1 28 28 LEU C C 28 175.988 175.988 177.342 -1.354 25124 151 1 1 . 1 1 28 28 LEU CA C 28 53.881 53.881 54.464 -0.583 25124 152 1 1 . 1 1 28 28 LEU CB C 28 42.540 42.540 41.905 0.635 25124 153 1 1 . 1 1 28 28 LEU H H 28 7.659 7.659 7.482 0.177 25124 154 1 1 . 1 1 29 29 THR N N 29 118.173 118.173 118.573 -0.400 25124 155 1 1 . 1 1 29 29 THR HA H 29 4.346 4.346 4.150 0.196 25124 156 1 1 . 1 1 29 29 THR C C 29 173.344 173.344 173.567 -0.223 25124 157 1 1 . 1 1 29 29 THR CA C 29 62.598 62.598 63.583 -0.985 25124 158 1 1 . 1 1 29 29 THR CB C 29 69.423 69.423 68.831 0.592 25124 159 1 1 . 1 1 29 29 THR H H 29 8.562 8.562 8.141 0.421 25124 160 1 1 . 1 1 30 30 CYS N N 30 128.450 128.450 127.085 1.365 25124 161 1 1 . 1 1 30 30 CYS HA H 30 6.012 6.012 4.544 1.468 25124 162 1 1 . 1 1 30 30 CYS C C 30 173.978 173.978 174.097 -0.119 25124 163 1 1 . 1 1 30 30 CYS CA C 30 56.424 56.424 57.928 -1.504 25124 164 1 1 . 1 1 30 30 CYS CB C 30 29.615 29.615 28.346 1.269 25124 165 1 1 . 1 1 30 30 CYS H H 30 9.035 9.035 8.635 0.400 25124 166 1 1 . 1 1 31 31 THR N N 31 126.377 126.377 124.364 2.013 25124 167 1 1 . 1 1 31 31 THR HA H 31 4.442 4.442 4.524 -0.082 25124 168 1 1 . 1 1 31 31 THR C C 31 172.683 172.683 172.430 0.253 25124 169 1 1 . 1 1 31 31 THR CA C 31 61.956 61.956 61.624 0.332 25124 170 1 1 . 1 1 31 31 THR CB C 31 70.624 70.624 71.029 -0.405 25124 171 1 1 . 1 1 31 31 THR H H 31 8.510 8.510 8.325 0.185 25124 172 1 1 . 1 1 32 32 THR N N 32 115.988 115.988 114.004 1.984 25124 173 1 1 . 1 1 32 32 THR HA H 32 5.454 5.454 4.912 0.542 25124 174 1 1 . 1 1 32 32 THR C C 32 172.259 172.259 172.122 0.137 25124 175 1 1 . 1 1 32 32 THR CA C 32 59.101 59.101 60.032 -0.931 25124 176 1 1 . 1 1 32 32 THR CB C 32 71.173 71.173 71.435 -0.262 25124 177 1 1 . 1 1 32 32 THR H H 32 8.301 8.301 7.717 0.584 25124 178 1 1 . 1 1 33 33 PHE N N 33 117.690 117.690 120.739 -3.049 25124 179 1 1 . 1 1 33 33 PHE HA H 33 4.723 4.723 4.645 0.078 25124 180 1 1 . 1 1 33 33 PHE C C 33 174.507 174.507 174.869 -0.362 25124 181 1 1 . 1 1 33 33 PHE CA C 33 56.504 56.504 58.105 -1.601 25124 182 1 1 . 1 1 33 33 PHE CB C 33 43.589 43.589 40.438 3.151 25124 183 1 1 . 1 1 33 33 PHE H H 33 8.834 8.834 8.602 0.232 25124 184 1 1 . 1 1 34 34 GLU N N 34 118.296 118.296 113.657 4.639 25124 185 1 1 . 1 1 34 34 GLU HA H 34 4.451 4.451 4.501 -0.050 25124 186 1 1 . 1 1 34 34 GLU C C 34 174.957 174.957 174.741 0.216 25124 187 1 1 . 1 1 34 34 GLU CA C 34 56.661 56.661 56.993 -0.332 25124 188 1 1 . 1 1 34 34 GLU CB C 34 31.792 31.792 31.196 0.596 25124 189 1 1 . 1 1 34 34 GLU H H 34 9.096 9.096 8.369 0.727 25124 190 1 1 . 1 1 35 35 ASN N N 35 108.486 108.486 116.417 -7.931 25124 191 1 1 . 1 1 35 35 ASN HA H 35 4.960 4.960 4.985 -0.025 25124 192 1 1 . 1 1 35 35 ASN C C 35 175.353 175.353 176.702 -1.349 25124 193 1 1 . 1 1 35 35 ASN CA C 35 52.364 52.364 51.100 1.264 25124 194 1 1 . 1 1 35 35 ASN CB C 35 40.932 40.932 40.734 0.198 25124 195 1 1 . 1 1 35 35 ASN H H 35 7.286 7.286 7.494 -0.208 25124 196 1 1 . 1 1 36 36 GLY N N 36 105.329 105.329 108.171 -2.842 25124 197 1 1 . 1 1 36 36 GLY C C 36 174.586 174.586 175.966 -1.380 25124 198 1 1 . 1 1 36 36 GLY CA C 36 47.533 47.533 47.323 0.210 25124 199 1 1 . 1 1 36 36 GLY H H 36 9.369 9.369 8.908 0.461 25124 200 1 1 . 1 1 37 37 ASN N N 37 120.396 120.396 119.033 1.363 25124 201 1 1 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.318 0.044 25124 202 1 1 . 1 1 37 37 ASN C C 37 178.791 178.791 177.531 1.260 25124 203 1 1 . 1 1 37 37 ASN CA C 37 56.843 56.843 56.627 0.216 25124 204 1 1 . 1 1 37 37 ASN CB C 37 37.716 37.716 38.483 -0.767 25124 205 1 1 . 1 1 37 37 ASN H H 37 8.440 8.440 8.370 0.070 25124 206 1 1 . 1 1 38 38 GLU N N 38 119.334 119.334 119.457 -0.123 25124 207 1 1 . 1 1 38 38 GLU HA H 38 4.058 4.058 3.811 0.247 25124 208 1 1 . 1 1 38 38 GLU C C 38 179.372 179.372 178.857 0.515 25124 209 1 1 . 1 1 38 38 GLU CA C 38 58.790 58.790 59.371 -0.581 25124 210 1 1 . 1 1 38 38 GLU CB C 38 30.692 30.692 29.492 1.200 25124 211 1 1 . 1 1 38 38 GLU H H 38 8.063 8.063 7.901 0.162 25124 212 1 1 . 1 1 39 39 VAL N N 39 119.047 119.047 119.751 -0.704 25124 213 1 1 . 1 1 39 39 VAL HA H 39 2.599 2.599 2.997 -0.398 25124 214 1 1 . 1 1 39 39 VAL C C 39 176.807 176.807 177.680 -0.873 25124 215 1 1 . 1 1 39 39 VAL CA C 39 65.222 65.222 65.742 -0.520 25124 216 1 1 . 1 1 39 39 VAL CB C 39 31.078 31.078 31.092 -0.014 25124 217 1 1 . 1 1 39 39 VAL H H 39 6.844 6.844 7.133 -0.289 25124 218 1 1 . 1 1 40 40 LEU N N 40 118.385 118.385 121.231 -2.846 25124 219 1 1 . 1 1 40 40 LEU HA H 40 3.929 3.929 3.896 0.033 25124 220 1 1 . 1 1 40 40 LEU C C 40 179.584 179.584 178.086 1.498 25124 221 1 1 . 1 1 40 40 LEU CA C 40 57.943 57.943 58.027 -0.084 25124 222 1 1 . 1 1 40 40 LEU CB C 40 40.932 40.932 40.310 0.622 25124 223 1 1 . 1 1 40 40 LEU H H 40 7.715 7.715 7.989 -0.274 25124 224 1 1 . 1 1 41 41 ALA N N 41 120.091 120.091 121.041 -0.950 25124 225 1 1 . 1 1 41 41 ALA HA H 41 4.158 4.158 3.881 0.277 25124 226 1 1 . 1 1 41 41 ALA C C 41 180.562 180.562 178.409 2.153 25124 227 1 1 . 1 1 41 41 ALA CA C 41 54.717 54.717 54.836 -0.119 25124 228 1 1 . 1 1 41 41 ALA CB C 41 17.853 17.853 18.013 -0.160 25124 229 1 1 . 1 1 41 41 ALA H H 41 7.671 7.671 7.625 0.046 25124 230 1 1 . 1 1 42 42 ALA N N 42 122.650 122.650 119.629 3.021 25124 231 1 1 . 1 1 42 42 ALA HA H 42 4.221 4.221 4.280 -0.059 25124 232 1 1 . 1 1 42 42 ALA C C 42 180.166 180.166 179.626 0.540 25124 233 1 1 . 1 1 42 42 ALA CA C 42 54.974 54.974 53.975 0.999 25124 234 1 1 . 1 1 42 42 ALA CB C 42 19.488 19.488 18.399 1.089 25124 235 1 1 . 1 1 42 42 ALA H H 42 7.573 7.573 7.028 0.545 25124 236 1 1 . 1 1 43 43 LEU N N 43 119.321 119.321 120.763 -1.442 25124 237 1 1 . 1 1 43 43 LEU HA H 43 5.260 5.260 4.653 0.607 25124 238 1 1 . 1 1 43 43 LEU C C 43 177.389 177.389 179.617 -2.228 25124 239 1 1 . 1 1 43 43 LEU CA C 43 55.446 55.446 57.740 -2.295 25124 240 1 1 . 1 1 43 43 LEU CB C 43 42.879 42.879 42.216 0.663 25124 241 1 1 . 1 1 43 43 LEU H H 43 8.289 8.289 8.399 -0.110 25124 242 1 1 . 1 1 44 44 ALA N N 44 118.995 118.995 119.157 -0.162 25124 243 1 1 . 1 1 44 44 ALA HA H 44 4.232 4.232 4.048 0.184 25124 244 1 1 . 1 1 44 44 ALA C C 44 178.738 178.738 179.260 -0.522 25124 245 1 1 . 1 1 44 44 ALA CA C 44 54.353 54.353 54.587 -0.233 25124 246 1 1 . 1 1 44 44 ALA CB C 44 18.674 18.674 18.701 -0.027 25124 247 1 1 . 1 1 44 44 ALA H H 44 7.307 7.307 8.047 -0.740 25124 248 1 1 . 1 1 45 45 SER N N 45 108.530 108.530 111.522 -2.992 25124 249 1 1 . 1 1 45 45 SER HA H 45 4.761 4.761 4.470 0.291 25124 250 1 1 . 1 1 45 45 SER C C 45 173.344 173.344 175.298 -1.954 25124 251 1 1 . 1 1 45 45 SER CA C 45 58.682 58.682 60.251 -1.569 25124 252 1 1 . 1 1 45 45 SER CB C 45 65.446 65.446 64.034 1.412 25124 253 1 1 . 1 1 45 45 SER H H 45 7.772 7.772 7.514 0.258 25124 254 1 1 . 1 1 46 46 LYS N N 46 122.965 122.965 119.392 3.573 25124 255 1 1 . 1 1 46 46 LYS HA H 46 4.608 4.608 4.640 -0.032 25124 256 1 1 . 1 1 46 46 LYS C C 46 172.815 172.815 174.191 -1.376 25124 257 1 1 . 1 1 46 46 LYS CA C 46 55.601 55.601 55.451 0.150 25124 258 1 1 . 1 1 46 46 LYS CB C 46 36.399 36.399 36.855 -0.456 25124 259 1 1 . 1 1 46 46 LYS H H 46 8.096 8.096 8.453 -0.357 25124 260 1 1 . 1 1 47 47 THR N N 47 111.524 111.524 113.025 -1.501 25124 261 1 1 . 1 1 47 47 THR HA H 47 4.307 4.307 4.475 -0.168 25124 262 1 1 . 1 1 47 47 THR CA C 47 57.896 57.896 57.979 -0.083 25124 263 1 1 . 1 1 47 47 THR CB C 47 70.570 70.570 69.848 0.722 25124 264 1 1 . 1 1 47 47 THR H H 47 7.708 7.708 8.127 -0.419 25124 265 1 1 . 1 1 48 48 PRO HA H 48 3.944 3.944 3.971 -0.027 25124 266 1 1 . 1 1 48 48 PRO C C 48 173.079 173.079 175.740 -2.661 25124 267 1 1 . 1 1 48 48 PRO CA C 48 60.922 60.922 61.669 -0.747 25124 268 1 1 . 1 1 48 48 PRO CB C 48 30.353 30.353 32.180 -1.827 25124 269 1 1 . 1 1 49 49 ASP N N 49 115.001 115.001 118.585 -3.584 25124 270 1 1 . 1 1 49 49 ASP HA H 49 4.460 4.460 4.371 0.089 25124 271 1 1 . 1 1 49 49 ASP C C 49 175.591 175.591 175.294 0.297 25124 272 1 1 . 1 1 49 49 ASP CA C 49 56.504 56.504 55.411 1.093 25124 273 1 1 . 1 1 49 49 ASP CB C 49 42.625 42.625 41.793 0.832 25124 274 1 1 . 1 1 49 49 ASP H H 49 8.535 8.535 8.161 0.374 25124 275 1 1 . 1 1 50 50 VAL N N 50 111.832 111.832 114.023 -2.191 25124 276 1 1 . 1 1 50 50 VAL HA H 50 4.316 4.316 4.342 -0.026 25124 277 1 1 . 1 1 50 50 VAL C C 50 171.572 171.572 173.151 -1.579 25124 278 1 1 . 1 1 50 50 VAL CA C 50 60.398 60.398 61.811 -1.413 25124 279 1 1 . 1 1 50 50 VAL CB C 50 34.650 34.650 34.147 0.503 25124 280 1 1 . 1 1 50 50 VAL H H 50 7.194 7.194 7.137 0.057 25124 281 1 1 . 1 1 51 51 LEU N N 51 127.785 127.785 128.292 -0.507 25124 282 1 1 . 1 1 51 51 LEU HA H 51 5.376 5.376 5.501 -0.125 25124 283 1 1 . 1 1 51 51 LEU C C 51 173.264 173.264 174.681 -1.417 25124 284 1 1 . 1 1 51 51 LEU CA C 51 53.137 53.137 53.014 0.123 25124 285 1 1 . 1 1 51 51 LEU CB C 51 46.680 46.680 46.603 0.077 25124 286 1 1 . 1 1 51 51 LEU H H 51 8.049 8.049 8.316 -0.267 25124 287 1 1 . 1 1 52 52 LEU N N 52 128.943 128.943 125.022 3.921 25124 288 1 1 . 1 1 52 52 LEU HA H 52 5.312 5.312 5.173 0.139 25124 289 1 1 . 1 1 52 52 LEU C C 52 174.692 174.692 176.894 -2.202 25124 290 1 1 . 1 1 52 52 LEU CA C 52 54.313 54.313 53.304 1.009 25124 291 1 1 . 1 1 52 52 LEU CB C 52 43.961 43.961 40.920 3.041 25124 292 1 1 . 1 1 52 52 LEU H H 52 9.278 9.278 8.102 1.176 25124 293 1 1 . 1 1 53 53 SER N N 53 116.717 116.717 117.406 -0.689 25124 294 1 1 . 1 1 53 53 SER HA H 53 5.395 5.395 4.295 1.100 25124 295 1 1 . 1 1 53 53 SER C C 53 173.608 173.608 173.328 0.280 25124 296 1 1 . 1 1 53 53 SER CA C 53 56.226 56.226 59.067 -2.841 25124 297 1 1 . 1 1 53 53 SER CB C 53 65.753 65.753 64.288 1.465 25124 298 1 1 . 1 1 53 53 SER H H 53 9.256 9.256 7.810 1.446 25124 299 1 1 . 1 1 54 54 ASP N N 54 127.909 127.909 123.099 4.810 25124 300 1 1 . 1 1 54 54 ASP HA H 54 5.622 5.622 5.498 0.124 25124 301 1 1 . 1 1 54 54 ASP C C 54 175.723 175.723 175.925 -0.202 25124 302 1 1 . 1 1 54 54 ASP CA C 54 53.268 53.268 52.248 1.020 25124 303 1 1 . 1 1 54 54 ASP CB C 54 44.386 44.386 43.391 0.995 25124 304 1 1 . 1 1 54 54 ASP H H 54 8.219 8.219 8.635 -0.416 25124 305 1 1 . 1 1 55 55 ILE N N 55 117.015 117.015 118.049 -1.034 25124 306 1 1 . 1 1 55 55 ILE HA H 55 4.116 4.116 4.577 -0.461 25124 307 1 1 . 1 1 55 55 ILE C C 55 176.913 176.913 174.694 2.219 25124 308 1 1 . 1 1 55 55 ILE CA C 55 65.290 65.290 58.894 6.396 25124 309 1 1 . 1 1 55 55 ILE CB C 55 38.487 38.487 36.598 1.889 25124 310 1 1 . 1 1 55 55 ILE H H 55 7.812 7.812 8.214 -0.402 25124 311 1 1 . 1 1 56 56 ARG N N 56 117.365 117.365 121.554 -4.189 25124 312 1 1 . 1 1 56 56 ARG HA H 56 4.379 4.379 4.500 -0.121 25124 313 1 1 . 1 1 56 56 ARG C C 56 172.788 172.788 174.179 -1.391 25124 314 1 1 . 1 1 56 56 ARG CA C 56 57.034 57.034 56.394 0.640 25124 315 1 1 . 1 1 56 56 ARG CB C 56 27.600 27.600 29.917 -2.317 25124 316 1 1 . 1 1 56 56 ARG H H 56 8.991 8.991 7.576 1.415 25124 317 1 1 . 1 1 57 57 MET N N 57 129.539 129.539 117.878 11.661 25124 318 1 1 . 1 1 57 57 MET HA H 57 4.767 4.767 5.017 -0.250 25124 319 1 1 . 1 1 57 57 MET CA C 57 53.641 53.641 52.973 0.668 25124 320 1 1 . 1 1 57 57 MET CB C 57 36.484 36.484 33.606 2.878 25124 321 1 1 . 1 1 57 57 MET H H 57 7.501 7.501 7.767 -0.266 25124 322 1 1 . 1 1 58 58 PRO HA H 58 4.379 4.379 4.404 -0.025 25124 323 1 1 . 1 1 58 58 PRO C C 58 177.495 177.495 177.719 -0.224 25124 324 1 1 . 1 1 58 58 PRO CA C 58 63.104 63.104 63.820 -0.716 25124 325 1 1 . 1 1 58 58 PRO CB C 58 31.922 31.922 32.203 -0.281 25124 326 1 1 . 1 1 59 59 GLY N N 59 112.312 112.312 107.473 4.839 25124 327 1 1 . 1 1 59 59 GLY C C 59 173.793 173.793 174.416 -0.623 25124 328 1 1 . 1 1 59 59 GLY CA C 59 46.430 46.430 46.400 0.030 25124 329 1 1 . 1 1 59 59 GLY H H 59 8.656 8.656 8.491 0.165 25124 330 1 1 . 1 1 60 60 MET N N 60 124.343 124.343 118.187 6.156 25124 331 1 1 . 1 1 60 60 MET HA H 60 4.344 4.344 4.568 -0.224 25124 332 1 1 . 1 1 60 60 MET C C 60 174.190 174.190 174.800 -0.610 25124 333 1 1 . 1 1 60 60 MET CA C 60 55.871 55.871 55.652 0.219 25124 334 1 1 . 1 1 60 60 MET CB C 60 34.955 34.955 34.419 0.537 25124 335 1 1 . 1 1 60 60 MET H H 60 7.778 7.778 8.210 -0.432 25124 336 1 1 . 1 1 61 61 ASP N N 61 124.993 124.993 113.590 11.403 25124 337 1 1 . 1 1 61 61 ASP HA H 61 4.870 4.870 4.690 0.180 25124 338 1 1 . 1 1 61 61 ASP C C 61 176.966 176.966 175.064 1.902 25124 339 1 1 . 1 1 61 61 ASP CA C 61 53.490 53.490 53.636 -0.146 25124 340 1 1 . 1 1 61 61 ASP CB C 61 42.347 42.347 41.534 0.813 25124 341 1 1 . 1 1 61 61 ASP H H 61 8.378 8.378 7.694 0.684 25124 342 1 1 . 1 1 62 62 GLY N N 62 105.163 105.163 104.576 0.587 25124 343 1 1 . 1 1 62 62 GLY C C 62 175.935 175.935 175.787 0.148 25124 344 1 1 . 1 1 62 62 GLY CA C 62 46.755 46.755 45.229 1.526 25124 345 1 1 . 1 1 62 62 GLY H H 62 10.153 10.153 8.477 1.676 25124 346 1 1 . 1 1 63 63 LEU N N 63 120.509 120.509 122.389 -1.880 25124 347 1 1 . 1 1 63 63 LEU HA H 63 4.293 4.293 4.237 0.056 25124 348 1 1 . 1 1 63 63 LEU C C 63 179.293 179.293 178.265 1.028 25124 349 1 1 . 1 1 63 63 LEU CA C 63 57.148 57.148 57.069 0.079 25124 350 1 1 . 1 1 63 63 LEU CB C 63 40.053 40.053 41.853 -1.800 25124 351 1 1 . 1 1 63 63 LEU H H 63 8.119 8.119 7.895 0.224 25124 352 1 1 . 1 1 64 64 ALA N N 64 126.234 126.234 121.994 4.240 25124 353 1 1 . 1 1 64 64 ALA HA H 64 4.112 4.112 4.055 0.057 25124 354 1 1 . 1 1 64 64 ALA C C 64 181.223 181.223 178.841 2.382 25124 355 1 1 . 1 1 64 64 ALA CA C 64 54.802 54.802 54.813 -0.011 25124 356 1 1 . 1 1 64 64 ALA CB C 64 18.133 18.133 18.184 -0.052 25124 357 1 1 . 1 1 64 64 ALA H H 64 8.303 8.303 7.643 0.660 25124 358 1 1 . 1 1 65 65 LEU N N 65 120.067 120.067 118.174 1.893 25124 359 1 1 . 1 1 65 65 LEU HA H 65 4.044 4.044 4.271 -0.227 25124 360 1 1 . 1 1 65 65 LEU C C 65 177.548 177.548 178.315 -0.767 25124 361 1 1 . 1 1 65 65 LEU CA C 65 58.197 58.197 57.105 1.091 25124 362 1 1 . 1 1 65 65 LEU CB C 65 41.727 41.727 42.591 -0.864 25124 363 1 1 . 1 1 65 65 LEU H H 65 8.398 8.398 7.906 0.492 25124 364 1 1 . 1 1 66 66 LEU N N 66 120.890 120.890 120.262 0.628 25124 365 1 1 . 1 1 66 66 LEU HA H 66 3.848 3.848 4.061 -0.213 25124 366 1 1 . 1 1 66 66 LEU C C 66 177.230 177.230 178.459 -1.229 25124 367 1 1 . 1 1 66 66 LEU CA C 66 58.736 58.736 57.498 1.238 25124 368 1 1 . 1 1 66 66 LEU CB C 66 41.803 41.803 41.767 0.036 25124 369 1 1 . 1 1 66 66 LEU H H 66 8.203 8.203 8.013 0.190 25124 370 1 1 . 1 1 67 67 LYS N N 67 116.919 116.919 117.234 -0.315 25124 371 1 1 . 1 1 67 67 LYS HA H 67 4.004 4.004 3.940 0.064 25124 372 1 1 . 1 1 67 67 LYS C C 67 179.452 179.452 178.943 0.509 25124 373 1 1 . 1 1 67 67 LYS CA C 67 59.733 59.733 59.247 0.486 25124 374 1 1 . 1 1 67 67 LYS CB C 67 32.415 32.415 31.998 0.417 25124 375 1 1 . 1 1 67 67 LYS H H 67 7.667 7.667 8.235 -0.568 25124 376 1 1 . 1 1 68 68 GLN N N 68 116.851 116.851 118.842 -1.991 25124 377 1 1 . 1 1 68 68 GLN HA H 68 4.046 4.046 4.128 -0.082 25124 378 1 1 . 1 1 68 68 GLN C C 68 179.319 179.319 178.208 1.111 25124 379 1 1 . 1 1 68 68 GLN CA C 68 58.820 58.820 58.828 -0.008 25124 380 1 1 . 1 1 68 68 GLN CB C 68 28.660 28.660 29.496 -0.836 25124 381 1 1 . 1 1 68 68 GLN H H 68 7.677 7.677 7.438 0.239 25124 382 1 1 . 1 1 69 69 ILE N N 69 120.670 120.670 115.497 5.173 25124 383 1 1 . 1 1 69 69 ILE HA H 69 3.564 3.564 3.853 -0.289 25124 384 1 1 . 1 1 69 69 ILE C C 69 177.786 177.786 177.637 0.149 25124 385 1 1 . 1 1 69 69 ILE CA C 69 65.381 65.381 64.150 1.230 25124 386 1 1 . 1 1 69 69 ILE CB C 69 37.186 37.186 37.435 -0.249 25124 387 1 1 . 1 1 69 69 ILE H H 69 8.918 8.918 7.447 1.471 25124 388 1 1 . 1 1 70 70 LYS N N 70 118.002 118.002 117.406 0.596 25124 389 1 1 . 1 1 70 70 LYS HA H 70 3.936 3.936 4.179 -0.243 25124 390 1 1 . 1 1 70 70 LYS C C 70 177.944 177.944 178.195 -0.251 25124 391 1 1 . 1 1 70 70 LYS CA C 70 57.351 57.351 57.674 -0.323 25124 392 1 1 . 1 1 70 70 LYS CB C 70 31.440 31.440 32.312 -0.872 25124 393 1 1 . 1 1 70 70 LYS H H 70 8.592 8.592 7.947 0.645 25124 394 1 1 . 1 1 71 71 GLN N N 71 114.891 114.891 117.844 -2.953 25124 395 1 1 . 1 1 71 71 GLN HA H 71 4.063 4.063 4.221 -0.158 25124 396 1 1 . 1 1 71 71 GLN C C 71 177.019 177.019 178.154 -1.135 25124 397 1 1 . 1 1 71 71 GLN CA C 71 58.007 58.007 57.288 0.718 25124 398 1 1 . 1 1 71 71 GLN CB C 71 29.168 29.168 29.523 -0.355 25124 399 1 1 . 1 1 71 71 GLN H H 71 7.266 7.266 7.472 -0.206 25124 400 1 1 . 1 1 72 72 ARG N N 72 116.364 116.364 119.374 -3.010 25124 401 1 1 . 1 1 72 72 ARG HA H 72 4.130 4.130 3.968 0.162 25124 402 1 1 . 1 1 72 72 ARG C C 72 175.803 175.803 175.669 0.134 25124 403 1 1 . 1 1 72 72 ARG CA C 72 57.174 57.174 58.212 -1.038 25124 404 1 1 . 1 1 72 72 ARG CB C 72 32.638 32.638 30.483 2.155 25124 405 1 1 . 1 1 72 72 ARG H H 72 7.254 7.254 8.164 -0.910 25124 406 1 1 . 1 1 73 73 HIS N N 73 116.981 116.981 109.940 7.041 25124 407 1 1 . 1 1 73 73 HIS HA H 73 4.994 4.994 4.906 0.088 25124 408 1 1 . 1 1 73 73 HIS CA C 73 53.252 53.252 53.306 -0.054 25124 409 1 1 . 1 1 73 73 HIS CB C 73 31.026 31.026 29.601 1.425 25124 410 1 1 . 1 1 73 73 HIS H H 73 8.828 8.828 7.195 1.633 25124 411 1 1 . 1 1 74 74 PRO HA H 74 4.435 4.435 4.562 -0.127 25124 412 1 1 . 1 1 74 74 PRO C C 74 178.156 178.156 176.910 1.246 25124 413 1 1 . 1 1 74 74 PRO CA C 74 65.284 65.284 63.931 1.353 25124 414 1 1 . 1 1 74 74 PRO CB C 74 32.130 32.130 31.928 0.202 25124 415 1 1 . 1 1 75 75 MET N N 75 114.676 114.676 116.250 -1.574 25124 416 1 1 . 1 1 75 75 MET HA H 75 4.587 4.587 4.487 0.100 25124 417 1 1 . 1 1 75 75 MET C C 75 176.067 176.067 176.406 -0.339 25124 418 1 1 . 1 1 75 75 MET CA C 75 54.304 54.304 55.695 -1.391 25124 419 1 1 . 1 1 75 75 MET CB C 75 31.623 31.623 32.258 -0.635 25124 420 1 1 . 1 1 75 75 MET H H 75 8.648 8.648 8.022 0.626 25124 421 1 1 . 1 1 76 76 LEU N N 76 125.720 125.720 119.476 6.244 25124 422 1 1 . 1 1 76 76 LEU HA H 76 4.293 4.293 4.396 -0.103 25124 423 1 1 . 1 1 76 76 LEU CA C 76 53.472 53.472 52.123 1.349 25124 424 1 1 . 1 1 76 76 LEU CB C 76 43.540 43.540 41.773 1.767 25124 425 1 1 . 1 1 76 76 LEU H H 76 7.342 7.342 7.470 -0.128 25124 426 1 1 . 1 1 77 77 PRO HA H 77 4.440 4.440 4.506 -0.066 25124 427 1 1 . 1 1 77 77 PRO C C 77 175.062 175.062 175.413 -0.351 25124 428 1 1 . 1 1 77 77 PRO CA C 77 62.841 62.841 62.828 0.013 25124 429 1 1 . 1 1 77 77 PRO CB C 77 31.903 31.903 31.652 0.251 25124 430 1 1 . 1 1 78 78 VAL N N 78 123.116 123.116 122.828 0.288 25124 431 1 1 . 1 1 78 78 VAL HA H 78 5.093 5.093 4.343 0.750 25124 432 1 1 . 1 1 78 78 VAL C C 78 175.776 175.776 174.658 1.118 25124 433 1 1 . 1 1 78 78 VAL CA C 78 60.083 60.083 60.974 -0.891 25124 434 1 1 . 1 1 78 78 VAL CB C 78 34.245 34.245 35.378 -1.133 25124 435 1 1 . 1 1 78 78 VAL H H 78 8.369 8.369 8.267 0.102 25124 436 1 1 . 1 1 79 79 ILE N N 79 129.166 129.166 123.574 5.592 25124 437 1 1 . 1 1 79 79 ILE HA H 79 4.499 4.499 4.565 -0.066 25124 438 1 1 . 1 1 79 79 ILE C C 79 174.295 174.295 175.108 -0.813 25124 439 1 1 . 1 1 79 79 ILE CA C 79 60.030 60.030 60.041 -0.011 25124 440 1 1 . 1 1 79 79 ILE CB C 79 40.222 40.222 41.366 -1.144 25124 441 1 1 . 1 1 79 79 ILE H H 79 9.436 9.436 8.208 1.228 25124 442 1 1 . 1 1 80 80 ILE N N 80 128.234 128.234 126.634 1.600 25124 443 1 1 . 1 1 80 80 ILE HA H 80 5.253 5.253 4.479 0.774 25124 444 1 1 . 1 1 80 80 ILE C C 80 173.449 173.449 174.927 -1.478 25124 445 1 1 . 1 1 80 80 ILE CA C 80 56.265 56.265 59.757 -3.491 25124 446 1 1 . 1 1 80 80 ILE CB C 80 38.176 38.176 37.660 0.516 25124 447 1 1 . 1 1 80 80 ILE H H 80 7.920 7.920 8.200 -0.280 25124 448 1 1 . 1 1 81 81 MET N N 81 124.079 124.079 128.990 -4.911 25124 449 1 1 . 1 1 81 81 MET HA H 81 5.489 5.489 4.754 0.735 25124 450 1 1 . 1 1 81 81 MET C C 81 173.820 173.820 173.768 0.052 25124 451 1 1 . 1 1 81 81 MET CA C 81 52.889 52.889 54.296 -1.407 25124 452 1 1 . 1 1 81 81 MET CB C 81 36.663 36.663 35.206 1.457 25124 453 1 1 . 1 1 81 81 MET H H 81 9.028 9.028 8.434 0.594 25124 454 1 1 . 1 1 82 82 THR N N 82 108.434 108.434 119.032 -10.598 25124 455 1 1 . 1 1 82 82 THR HA H 82 5.134 5.134 4.567 0.567 25124 456 1 1 . 1 1 82 82 THR C C 82 172.550 172.550 172.241 0.309 25124 457 1 1 . 1 1 82 82 THR CA C 82 60.642 60.642 61.066 -0.424 25124 458 1 1 . 1 1 82 82 THR CB C 82 68.843 68.843 70.666 -1.823 25124 459 1 1 . 1 1 82 82 THR H H 82 7.098 7.098 8.190 -1.092 25124 460 1 1 . 1 1 83 83 ALA N N 83 128.991 128.991 123.033 5.958 25124 461 1 1 . 1 1 83 83 ALA HA H 83 4.678 4.678 4.721 -0.043 25124 462 1 1 . 1 1 83 83 ALA C C 83 177.812 177.812 177.260 0.552 25124 463 1 1 . 1 1 83 83 ALA CA C 83 52.457 52.457 51.215 1.242 25124 464 1 1 . 1 1 83 83 ALA CB C 83 19.396 19.396 20.566 -1.170 25124 465 1 1 . 1 1 83 83 ALA H H 83 8.590 8.590 8.239 0.351 25124 466 1 1 . 1 1 84 84 HIS N N 84 121.904 121.904 114.364 7.540 25124 467 1 1 . 1 1 84 84 HIS HA H 84 4.576 4.576 4.279 0.297 25124 468 1 1 . 1 1 84 84 HIS C C 84 175.512 175.512 176.401 -0.889 25124 469 1 1 . 1 1 84 84 HIS CA C 84 56.674 56.674 58.079 -1.405 25124 470 1 1 . 1 1 84 84 HIS CB C 84 29.589 29.589 29.579 0.010 25124 471 1 1 . 1 1 84 84 HIS H H 84 8.865 8.865 8.819 0.046 25124 472 1 1 . 1 1 85 85 SER N N 85 114.679 114.679 115.013 -0.334 25124 473 1 1 . 1 1 85 85 SER HA H 85 4.303 4.303 3.998 0.305 25124 474 1 1 . 1 1 85 85 SER C C 85 174.560 174.560 174.399 0.161 25124 475 1 1 . 1 1 85 85 SER CA C 85 58.970 58.970 58.735 0.235 25124 476 1 1 . 1 1 85 85 SER CB C 85 62.829 62.829 63.190 -0.361 25124 477 1 1 . 1 1 85 85 SER H H 85 8.016 8.016 7.403 0.613 25124 478 1 1 . 1 1 86 86 ASP N N 86 122.325 122.325 124.637 -2.312 25124 479 1 1 . 1 1 86 86 ASP HA H 86 4.761 4.761 4.307 0.454 25124 480 1 1 . 1 1 86 86 ASP C C 86 176.094 176.094 176.933 -0.839 25124 481 1 1 . 1 1 86 86 ASP CA C 86 53.627 53.627 55.766 -2.139 25124 482 1 1 . 1 1 86 86 ASP CB C 86 40.942 40.942 40.674 0.268 25124 483 1 1 . 1 1 86 86 ASP H H 86 8.054 8.054 8.735 -0.681 25124 484 1 1 . 1 1 87 87 LEU N N 87 122.041 122.041 119.850 2.191 25124 485 1 1 . 1 1 87 87 LEU HA H 87 4.069 4.069 4.027 0.042 25124 486 1 1 . 1 1 87 87 LEU C C 87 177.892 177.892 177.508 0.384 25124 487 1 1 . 1 1 87 87 LEU CA C 87 57.182 57.182 57.341 -0.159 25124 488 1 1 . 1 1 87 87 LEU CB C 87 42.015 42.015 41.858 0.158 25124 489 1 1 . 1 1 87 87 LEU H H 87 8.005 8.005 7.591 0.414 25124 490 1 1 . 1 1 88 88 ASP N N 88 118.050 118.050 120.304 -2.254 25124 491 1 1 . 1 1 88 88 ASP HA H 88 4.370 4.370 4.263 0.107 25124 492 1 1 . 1 1 88 88 ASP C C 88 178.103 178.103 178.041 0.062 25124 493 1 1 . 1 1 88 88 ASP CA C 88 56.342 56.342 57.417 -1.075 25124 494 1 1 . 1 1 88 88 ASP CB C 88 40.280 40.280 39.790 0.490 25124 495 1 1 . 1 1 88 88 ASP H H 88 8.243 8.243 8.597 -0.354 25124 496 1 1 . 1 1 89 89 ALA N N 89 122.780 122.780 121.579 1.201 25124 497 1 1 . 1 1 89 89 ALA HA H 89 4.038 4.038 4.143 -0.105 25124 498 1 1 . 1 1 89 89 ALA C C 89 178.526 178.526 178.912 -0.386 25124 499 1 1 . 1 1 89 89 ALA CA C 89 54.655 54.655 54.276 0.378 25124 500 1 1 . 1 1 89 89 ALA CB C 89 18.809 18.809 18.208 0.601 25124 501 1 1 . 1 1 89 89 ALA H H 89 7.890 7.890 7.631 0.259 25124 502 1 1 . 1 1 90 90 ALA N N 90 120.040 120.040 120.874 -0.834 25124 503 1 1 . 1 1 90 90 ALA HA H 90 3.254 3.254 3.744 -0.490 25124 504 1 1 . 1 1 90 90 ALA C C 90 178.976 178.976 179.444 -0.468 25124 505 1 1 . 1 1 90 90 ALA CA C 90 55.050 55.050 54.586 0.464 25124 506 1 1 . 1 1 90 90 ALA CB C 90 17.725 17.725 17.843 -0.118 25124 507 1 1 . 1 1 90 90 ALA H H 90 7.513 7.513 7.842 -0.329 25124 508 1 1 . 1 1 91 91 VAL N N 91 116.635 116.635 117.387 -0.752 25124 509 1 1 . 1 1 91 91 VAL HA H 91 3.637 3.637 3.848 -0.211 25124 510 1 1 . 1 1 91 91 VAL C C 91 178.632 178.632 177.683 0.949 25124 511 1 1 . 1 1 91 91 VAL CA C 91 65.971 65.971 65.843 0.128 25124 512 1 1 . 1 1 91 91 VAL CB C 91 31.623 31.623 31.782 -0.159 25124 513 1 1 . 1 1 91 91 VAL H H 91 7.877 7.877 7.416 0.461 25124 514 1 1 . 1 1 92 92 SER N N 92 115.439 115.439 115.370 0.069 25124 515 1 1 . 1 1 92 92 SER HA H 92 4.215 4.215 4.026 0.189 25124 516 1 1 . 1 1 92 92 SER C C 92 175.961 175.961 176.521 -0.560 25124 517 1 1 . 1 1 92 92 SER CA C 92 61.401 61.401 61.777 -0.376 25124 518 1 1 . 1 1 92 92 SER CB C 92 62.966 62.966 63.129 -0.163 25124 519 1 1 . 1 1 92 92 SER H H 92 7.912 7.912 7.646 0.266 25124 520 1 1 . 1 1 93 93 ALA N N 93 122.647 122.647 123.082 -0.435 25124 521 1 1 . 1 1 93 93 ALA HA H 93 3.786 3.786 4.000 -0.214 25124 522 1 1 . 1 1 93 93 ALA C C 93 179.293 179.293 179.724 -0.431 25124 523 1 1 . 1 1 93 93 ALA CA C 93 55.172 55.172 54.886 0.286 25124 524 1 1 . 1 1 93 93 ALA CB C 93 17.161 17.161 17.914 -0.753 25124 525 1 1 . 1 1 93 93 ALA H H 93 8.199 8.199 8.191 0.008 25124 526 1 1 . 1 1 94 94 TYR N N 94 117.796 117.796 118.453 -0.657 25124 527 1 1 . 1 1 94 94 TYR HA H 94 4.283 4.283 4.117 0.166 25124 528 1 1 . 1 1 94 94 TYR C C 94 179.954 179.954 178.506 1.448 25124 529 1 1 . 1 1 94 94 TYR CA C 94 61.216 61.216 60.481 0.735 25124 530 1 1 . 1 1 94 94 TYR CB C 94 37.716 37.716 37.715 0.001 25124 531 1 1 . 1 1 94 94 TYR H H 94 8.065 8.065 7.394 0.670 25124 532 1 1 . 1 1 95 95 GLN N N 95 120.057 120.057 116.557 3.500 25124 533 1 1 . 1 1 95 95 GLN HA H 95 4.005 4.005 4.071 -0.066 25124 534 1 1 . 1 1 95 95 GLN C C 95 177.680 177.680 178.238 -0.558 25124 535 1 1 . 1 1 95 95 GLN CA C 95 58.471 58.471 58.088 0.383 25124 536 1 1 . 1 1 95 95 GLN CB C 95 28.334 28.334 28.627 -0.293 25124 537 1 1 . 1 1 95 95 GLN H H 95 8.513 8.513 7.608 0.905 25124 538 1 1 . 1 1 96 96 GLN N N 96 115.323 115.323 117.063 -1.740 25124 539 1 1 . 1 1 96 96 GLN HA H 96 4.321 4.321 4.324 -0.003 25124 540 1 1 . 1 1 96 96 GLN C C 96 175.538 175.538 176.331 -0.793 25124 541 1 1 . 1 1 96 96 GLN CA C 96 55.379 55.379 56.404 -1.024 25124 542 1 1 . 1 1 96 96 GLN CB C 96 28.915 28.915 29.995 -1.080 25124 543 1 1 . 1 1 96 96 GLN H H 96 7.774 7.774 7.872 -0.098 25124 544 1 1 . 1 1 97 97 GLY N N 97 104.173 104.173 106.142 -1.969 25124 545 1 1 . 1 1 97 97 GLY C C 97 175.168 175.168 173.240 1.928 25124 546 1 1 . 1 1 97 97 GLY CA C 97 45.491 45.491 44.723 0.768 25124 547 1 1 . 1 1 97 97 GLY H H 97 7.576 7.576 7.726 -0.150 25124 548 1 1 . 1 1 98 98 ALA N N 98 123.484 123.484 121.240 2.244 25124 549 1 1 . 1 1 98 98 ALA HA H 98 4.266 4.266 4.574 -0.308 25124 550 1 1 . 1 1 98 98 ALA C C 98 176.067 176.067 176.541 -0.474 25124 551 1 1 . 1 1 98 98 ALA CA C 98 53.008 53.008 51.486 1.522 25124 552 1 1 . 1 1 98 98 ALA CB C 98 18.556 18.556 20.266 -1.710 25124 553 1 1 . 1 1 98 98 ALA H H 98 8.358 8.358 7.620 0.738 25124 554 1 1 . 1 1 99 99 PHE N N 99 123.551 123.551 120.675 2.876 25124 555 1 1 . 1 1 99 99 PHE HA H 99 4.259 4.259 4.608 -0.349 25124 556 1 1 . 1 1 99 99 PHE C C 99 175.432 175.432 175.401 0.031 25124 557 1 1 . 1 1 99 99 PHE CA C 99 60.274 60.274 60.149 0.125 25124 558 1 1 . 1 1 99 99 PHE CB C 99 40.375 40.375 40.669 -0.293 25124 559 1 1 . 1 1 99 99 PHE H H 99 9.477 9.477 8.401 1.076 25124 560 1 1 . 1 1 100 100 ASP N N 100 110.678 110.678 113.707 -3.029 25124 561 1 1 . 1 1 100 100 ASP HA H 100 4.547 4.547 5.082 -0.535 25124 562 1 1 . 1 1 100 100 ASP C C 100 173.053 173.053 173.854 -0.801 25124 563 1 1 . 1 1 100 100 ASP CA C 100 52.527 52.527 54.141 -1.614 25124 564 1 1 . 1 1 100 100 ASP CB C 100 44.789 44.789 43.493 1.296 25124 565 1 1 . 1 1 100 100 ASP H H 100 7.683 7.683 8.100 -0.417 25124 566 1 1 . 1 1 101 101 TYR N N 101 122.174 122.174 121.947 0.227 25124 567 1 1 . 1 1 101 101 TYR HA H 101 5.425 5.425 5.256 0.169 25124 568 1 1 . 1 1 101 101 TYR C C 101 172.550 172.550 174.527 -1.977 25124 569 1 1 . 1 1 101 101 TYR CA C 101 55.865 55.865 56.246 -0.381 25124 570 1 1 . 1 1 101 101 TYR CB C 101 41.760 41.760 39.445 2.315 25124 571 1 1 . 1 1 101 101 TYR H H 101 9.874 9.874 8.561 1.313 25124 572 1 1 . 1 1 102 102 LEU N N 102 129.337 129.337 129.930 -0.593 25124 573 1 1 . 1 1 102 102 LEU HA H 102 4.677 4.677 4.656 0.021 25124 574 1 1 . 1 1 102 102 LEU CA C 102 50.418 50.418 50.723 -0.305 25124 575 1 1 . 1 1 102 102 LEU CB C 102 45.066 45.066 43.614 1.452 25124 576 1 1 . 1 1 102 102 LEU H H 102 8.974 8.974 7.890 1.084 25124 577 1 1 . 1 1 103 103 PRO HA H 103 4.552 4.552 4.451 0.101 25124 578 1 1 . 1 1 103 103 PRO C C 103 176.067 176.067 175.714 0.353 25124 579 1 1 . 1 1 103 103 PRO CA C 103 61.951 61.951 62.268 -0.317 25124 580 1 1 . 1 1 103 103 PRO CB C 103 31.829 31.829 32.454 -0.625 25124 581 1 1 . 1 1 104 104 LYS N N 104 118.403 118.403 118.972 -0.569 25124 582 1 1 . 1 1 104 104 LYS HA H 104 4.459 4.459 5.035 -0.576 25124 583 1 1 . 1 1 104 104 LYS CA C 104 53.204 53.204 52.956 0.248 25124 584 1 1 . 1 1 104 104 LYS CB C 104 34.500 34.500 32.376 2.124 25124 585 1 1 . 1 1 104 104 LYS H H 104 8.013 8.013 8.251 -0.238 25124 586 1 1 . 1 1 105 105 PRO HA H 105 4.258 4.258 4.482 -0.224 25124 587 1 1 . 1 1 105 105 PRO C C 105 174.930 174.930 175.530 -0.600 25124 588 1 1 . 1 1 105 105 PRO CA C 105 62.213 62.213 63.043 -0.830 25124 589 1 1 . 1 1 105 105 PRO CB C 105 34.151 34.151 32.124 2.026 25124 590 1 1 . 1 1 106 106 PHE N N 106 116.796 116.796 118.079 -1.283 25124 591 1 1 . 1 1 106 106 PHE HA H 106 5.169 5.169 4.740 0.429 25124 592 1 1 . 1 1 106 106 PHE C C 106 175.194 175.194 174.223 0.971 25124 593 1 1 . 1 1 106 106 PHE CA C 106 53.244 53.244 55.706 -2.462 25124 594 1 1 . 1 1 106 106 PHE CB C 106 40.477 40.477 40.800 -0.322 25124 595 1 1 . 1 1 106 106 PHE H H 106 7.399 7.399 7.566 -0.167 25124 596 1 1 . 1 1 107 107 ASP N N 107 122.212 122.212 122.834 -0.622 25124 597 1 1 . 1 1 107 107 ASP HA H 107 4.823 4.823 5.092 -0.269 25124 598 1 1 . 1 1 107 107 ASP C C 107 177.812 177.812 177.104 0.708 25124 599 1 1 . 1 1 107 107 ASP CA C 107 53.392 53.392 53.593 -0.201 25124 600 1 1 . 1 1 107 107 ASP CB C 107 42.455 42.455 41.667 0.788 25124 601 1 1 . 1 1 107 107 ASP H H 107 9.047 9.047 8.845 0.202 25124 602 1 1 . 1 1 108 108 ILE N N 108 127.963 127.963 121.466 6.497 25124 603 1 1 . 1 1 108 108 ILE HA H 108 3.949 3.949 4.058 -0.109 25124 604 1 1 . 1 1 108 108 ILE C C 108 176.226 176.226 176.835 -0.609 25124 605 1 1 . 1 1 108 108 ILE CA C 108 63.105 63.105 64.607 -1.502 25124 606 1 1 . 1 1 108 108 ILE CB C 108 37.665 37.665 37.436 0.229 25124 607 1 1 . 1 1 108 108 ILE H H 108 8.898 8.898 8.531 0.367 25124 608 1 1 . 1 1 109 109 ASP N N 109 119.804 119.804 121.004 -1.200 25124 609 1 1 . 1 1 109 109 ASP HA H 109 4.393 4.393 4.287 0.106 25124 610 1 1 . 1 1 109 109 ASP C C 109 179.848 179.848 178.564 1.284 25124 611 1 1 . 1 1 109 109 ASP CA C 109 57.483 57.483 58.006 -0.523 25124 612 1 1 . 1 1 109 109 ASP CB C 109 39.986 39.986 40.359 -0.373 25124 613 1 1 . 1 1 109 109 ASP H H 109 8.098 8.098 8.523 -0.425 25124 614 1 1 . 1 1 110 110 GLU N N 110 121.667 121.667 118.841 2.826 25124 615 1 1 . 1 1 110 110 GLU HA H 110 4.085 4.085 4.288 -0.203 25124 616 1 1 . 1 1 110 110 GLU C C 110 178.976 178.976 178.282 0.694 25124 617 1 1 . 1 1 110 110 GLU CA C 110 58.790 58.790 58.050 0.740 25124 618 1 1 . 1 1 110 110 GLU CB C 110 29.330 29.330 30.072 -0.742 25124 619 1 1 . 1 1 110 110 GLU H H 110 8.059 8.059 8.181 -0.122 25124 620 1 1 . 1 1 111 111 ALA N N 111 122.208 122.208 123.474 -1.266 25124 621 1 1 . 1 1 111 111 ALA HA H 111 3.758 3.758 4.061 -0.303 25124 622 1 1 . 1 1 111 111 ALA C C 111 178.605 178.605 179.478 -0.873 25124 623 1 1 . 1 1 111 111 ALA CA C 111 55.320 55.320 55.020 0.300 25124 624 1 1 . 1 1 111 111 ALA CB C 111 18.174 18.174 18.406 -0.232 25124 625 1 1 . 1 1 111 111 ALA H H 111 7.903 7.903 7.473 0.429 25124 626 1 1 . 1 1 112 112 VAL N N 112 116.429 116.429 118.389 -1.960 25124 627 1 1 . 1 1 112 112 VAL HA H 112 3.194 3.194 3.552 -0.358 25124 628 1 1 . 1 1 112 112 VAL C C 112 177.230 177.230 177.704 -0.474 25124 629 1 1 . 1 1 112 112 VAL CA C 112 67.154 67.154 66.958 0.196 25124 630 1 1 . 1 1 112 112 VAL CB C 112 31.538 31.538 31.587 -0.049 25124 631 1 1 . 1 1 112 112 VAL H H 112 8.032 8.032 8.623 -0.591 25124 632 1 1 . 1 1 113 113 ALA N N 113 120.198 120.198 120.371 -0.173 25124 633 1 1 . 1 1 113 113 ALA HA H 113 4.159 4.159 4.261 -0.102 25124 634 1 1 . 1 1 113 113 ALA C C 113 180.589 180.589 179.151 1.438 25124 635 1 1 . 1 1 113 113 ALA CA C 113 54.902 54.902 54.278 0.625 25124 636 1 1 . 1 1 113 113 ALA CB C 113 17.980 17.980 18.726 -0.746 25124 637 1 1 . 1 1 113 113 ALA H H 113 7.723 7.723 7.764 -0.041 25124 638 1 1 . 1 1 114 114 LEU N N 114 120.742 120.742 120.117 0.625 25124 639 1 1 . 1 1 114 114 LEU HA H 114 4.102 4.102 4.174 -0.072 25124 640 1 1 . 1 1 114 114 LEU C C 114 178.605 178.605 178.253 0.352 25124 641 1 1 . 1 1 114 114 LEU CA C 114 58.181 58.181 57.188 0.993 25124 642 1 1 . 1 1 114 114 LEU CB C 114 42.032 42.032 42.027 0.005 25124 643 1 1 . 1 1 114 114 LEU H H 114 7.928 7.928 7.514 0.414 25124 644 1 1 . 1 1 115 115 VAL N N 115 119.478 119.478 119.316 0.162 25124 645 1 1 . 1 1 115 115 VAL HA H 115 3.250 3.250 3.509 -0.259 25124 646 1 1 . 1 1 115 115 VAL C C 115 177.548 177.548 177.811 -0.263 25124 647 1 1 . 1 1 115 115 VAL CA C 115 67.168 67.168 67.399 -0.231 25124 648 1 1 . 1 1 115 115 VAL CB C 115 30.760 30.760 31.509 -0.749 25124 649 1 1 . 1 1 115 115 VAL H H 115 7.846 7.846 8.147 -0.301 25124 650 1 1 . 1 1 116 116 GLU N N 116 117.570 117.570 117.242 0.328 25124 651 1 1 . 1 1 116 116 GLU HA H 116 3.809 3.809 4.079 -0.270 25124 652 1 1 . 1 1 116 116 GLU C C 116 179.557 179.557 178.474 1.083 25124 653 1 1 . 1 1 116 116 GLU CA C 116 59.974 59.974 58.459 1.515 25124 654 1 1 . 1 1 116 116 GLU CB C 116 29.084 29.084 29.030 0.054 25124 655 1 1 . 1 1 116 116 GLU H H 116 8.462 8.462 8.024 0.438 25124 656 1 1 . 1 1 117 117 ARG N N 117 120.263 120.263 119.873 0.390 25124 657 1 1 . 1 1 117 117 ARG HA H 117 4.109 4.109 4.097 0.012 25124 658 1 1 . 1 1 117 117 ARG C C 117 178.500 178.500 178.382 0.118 25124 659 1 1 . 1 1 117 117 ARG CA C 117 59.411 59.411 59.660 -0.249 25124 660 1 1 . 1 1 117 117 ARG CB C 117 30.414 30.414 30.199 0.215 25124 661 1 1 . 1 1 117 117 ARG H H 117 8.090 8.090 7.559 0.531 25124 662 1 1 . 1 1 118 118 ALA N N 118 122.157 122.157 119.738 2.419 25124 663 1 1 . 1 1 118 118 ALA HA H 118 3.467 3.467 4.458 -0.991 25124 664 1 1 . 1 1 118 118 ALA C C 118 178.632 178.632 179.686 -1.054 25124 665 1 1 . 1 1 118 118 ALA CA C 118 54.739 54.739 54.097 0.642 25124 666 1 1 . 1 1 118 118 ALA CB C 118 18.280 18.280 18.531 -0.251 25124 667 1 1 . 1 1 118 118 ALA H H 118 8.005 8.005 7.263 0.742 25124 668 1 1 . 1 1 119 119 ILE N N 119 115.429 115.429 120.157 -4.728 25124 669 1 1 . 1 1 119 119 ILE HA H 119 3.706 3.706 3.757 -0.051 25124 670 1 1 . 1 1 119 119 ILE C C 119 177.442 177.442 178.741 -1.299 25124 671 1 1 . 1 1 119 119 ILE CA C 119 63.910 63.910 64.982 -1.072 25124 672 1 1 . 1 1 119 119 ILE CB C 119 37.939 37.939 37.656 0.283 25124 673 1 1 . 1 1 119 119 ILE H H 119 7.788 7.788 7.547 0.241 25124 674 1 1 . 1 1 120 120 SER N N 120 114.902 114.902 115.755 -0.853 25124 675 1 1 . 1 1 120 120 SER HA H 120 4.285 4.285 4.144 0.141 25124 676 1 1 . 1 1 120 120 SER C C 120 175.142 175.142 176.432 -1.290 25124 677 1 1 . 1 1 120 120 SER CA C 120 59.871 59.871 62.255 -2.384 25124 678 1 1 . 1 1 120 120 SER CB C 120 63.522 63.522 62.862 0.660 25124 679 1 1 . 1 1 120 120 SER H H 120 7.881 7.881 8.660 -0.779 25124 680 1 1 . 1 1 121 121 HIS N N 121 119.927 119.927 120.881 -0.954 25124 681 1 1 . 1 1 121 121 HIS HA H 121 4.439 4.439 4.202 0.237 25124 682 1 1 . 1 1 121 121 HIS C C 121 174.957 174.957 175.510 -0.553 25124 683 1 1 . 1 1 121 121 HIS CA C 121 57.362 57.362 58.464 -1.102 25124 684 1 1 . 1 1 121 121 HIS CB C 121 29.496 29.496 29.909 -0.413 25124 685 1 1 . 1 1 121 121 HIS H H 121 7.960 7.960 7.797 0.163 25124 686 1 1 . 1 1 122 122 TYR N N 122 118.745 118.745 117.195 1.550 25124 687 1 1 . 1 1 122 122 TYR HA H 122 4.455 4.455 4.761 -0.306 25124 688 1 1 . 1 1 122 122 TYR C C 122 175.353 175.353 174.964 0.389 25124 689 1 1 . 1 1 122 122 TYR CA C 122 58.528 58.528 56.672 1.856 25124 690 1 1 . 1 1 122 122 TYR CB C 122 38.726 38.726 38.017 0.709 25124 691 1 1 . 1 1 122 122 TYR H H 122 7.776 7.776 7.785 -0.009 25124 692 1 1 . 1 1 123 123 GLN N N 123 121.424 121.424 121.448 -0.024 25124 693 1 1 . 1 1 123 123 GLN HA H 123 4.294 4.294 4.137 0.157 25124 694 1 1 . 1 1 123 123 GLN C C 123 174.560 174.560 175.477 -0.917 25124 695 1 1 . 1 1 123 123 GLN CA C 123 55.658 55.658 57.221 -1.562 25124 696 1 1 . 1 1 123 123 GLN CB C 123 29.877 29.877 29.396 0.481 25124 697 1 1 . 1 1 123 123 GLN H H 123 7.904 7.904 8.002 -0.098 25124 698 1 2 . 1 1 2 2 GLN HA H 2 4.453 4.453 4.689 -0.236 25124 699 1 2 . 1 1 2 2 GLN C C 2 174.930 174.930 173.820 1.110 25124 700 1 2 . 1 1 2 2 GLN CA C 2 55.627 55.627 55.541 0.086 25124 701 1 2 . 1 1 2 2 GLN CB C 2 29.312 29.312 30.131 -0.819 25124 702 1 2 . 1 1 3 3 ARG N N 3 121.349 121.349 124.377 -3.028 25124 703 1 2 . 1 1 3 3 ARG HA H 3 4.390 4.390 4.433 -0.043 25124 704 1 2 . 1 1 3 3 ARG C C 3 175.723 175.723 174.319 1.404 25124 705 1 2 . 1 1 3 3 ARG CA C 3 56.041 56.041 56.730 -0.689 25124 706 1 2 . 1 1 3 3 ARG CB C 3 31.395 31.395 31.295 0.100 25124 707 1 2 . 1 1 3 3 ARG H H 3 8.451 8.451 8.447 0.004 25124 708 1 2 . 1 1 4 4 GLY N N 4 107.889 107.889 110.242 -2.353 25124 709 1 2 . 1 1 4 4 GLY C C 4 171.122 171.122 172.876 -1.754 25124 710 1 2 . 1 1 4 4 GLY CA C 4 45.333 45.333 44.919 0.414 25124 711 1 2 . 1 1 4 4 GLY H H 4 8.037 8.037 8.208 -0.171 25124 712 1 2 . 1 1 5 5 ILE N N 5 122.674 122.674 121.403 1.271 25124 713 1 2 . 1 1 5 5 ILE HA H 5 4.731 4.731 3.961 0.770 25124 714 1 2 . 1 1 5 5 ILE C C 5 175.459 175.459 174.796 0.663 25124 715 1 2 . 1 1 5 5 ILE CA C 5 60.614 60.614 62.245 -1.631 25124 716 1 2 . 1 1 5 5 ILE CB C 5 39.535 39.535 37.281 2.254 25124 717 1 2 . 1 1 5 5 ILE H H 5 9.605 9.605 8.266 1.339 25124 718 1 2 . 1 1 6 6 VAL N N 6 127.532 127.532 127.773 -0.241 25124 719 1 2 . 1 1 6 6 VAL HA H 6 4.892 4.892 4.253 0.639 25124 720 1 2 . 1 1 6 6 VAL C C 6 174.110 174.110 174.631 -0.521 25124 721 1 2 . 1 1 6 6 VAL CA C 6 59.255 59.255 61.739 -2.484 25124 722 1 2 . 1 1 6 6 VAL CB C 6 34.530 34.530 32.138 2.392 25124 723 1 2 . 1 1 6 6 VAL H H 6 9.135 9.135 8.355 0.780 25124 724 1 2 . 1 1 7 7 TRP N N 7 127.409 127.409 128.333 -0.924 25124 725 1 2 . 1 1 7 7 TRP HA H 7 6.447 6.447 4.848 1.599 25124 726 1 2 . 1 1 7 7 TRP C C 7 175.089 175.089 174.962 0.127 25124 727 1 2 . 1 1 7 7 TRP CA C 7 52.797 52.797 54.304 -1.507 25124 728 1 2 . 1 1 7 7 TRP CB C 7 33.255 33.255 29.892 3.363 25124 729 1 2 . 1 1 7 7 TRP H H 7 8.544 8.544 8.515 0.029 25124 730 1 2 . 1 1 8 8 VAL N N 8 122.270 122.270 125.399 -3.129 25124 731 1 2 . 1 1 8 8 VAL HA H 8 5.135 5.135 4.524 0.611 25124 732 1 2 . 1 1 8 8 VAL C C 8 173.820 173.820 174.303 -0.483 25124 733 1 2 . 1 1 8 8 VAL CA C 8 60.457 60.457 60.592 -0.135 25124 734 1 2 . 1 1 8 8 VAL CB C 8 35.893 35.893 33.334 2.559 25124 735 1 2 . 1 1 8 8 VAL H H 8 8.643 8.643 8.258 0.385 25124 736 1 2 . 1 1 9 9 VAL N N 9 126.806 126.806 127.977 -1.171 25124 737 1 2 . 1 1 9 9 VAL HA H 9 5.192 5.192 4.451 0.741 25124 738 1 2 . 1 1 9 9 VAL C C 9 172.550 172.550 174.133 -1.583 25124 739 1 2 . 1 1 9 9 VAL CA C 9 58.384 58.384 61.081 -2.697 25124 740 1 2 . 1 1 9 9 VAL CB C 9 34.135 34.135 32.095 2.040 25124 741 1 2 . 1 1 9 9 VAL H H 9 9.113 9.113 8.625 0.488 25124 742 1 2 . 1 1 10 10 ASP N N 10 125.011 125.011 124.867 0.144 25124 743 1 2 . 1 1 10 10 ASP HA H 10 4.554 4.554 4.836 -0.282 25124 744 1 2 . 1 1 10 10 ASP C C 10 174.877 174.877 174.329 0.548 25124 745 1 2 . 1 1 10 10 ASP CA C 10 55.066 55.066 53.036 2.030 25124 746 1 2 . 1 1 10 10 ASP CB C 10 44.131 44.131 43.526 0.605 25124 747 1 2 . 1 1 10 10 ASP H H 10 7.881 7.881 8.061 -0.180 25124 748 1 2 . 1 1 11 11 ASP N N 11 124.048 124.048 120.733 3.315 25124 749 1 2 . 1 1 11 11 ASP HA H 11 4.613 4.613 4.790 -0.177 25124 750 1 2 . 1 1 11 11 ASP C C 11 175.089 175.089 174.454 0.635 25124 751 1 2 . 1 1 11 11 ASP CA C 11 55.346 55.346 53.779 1.567 25124 752 1 2 . 1 1 11 11 ASP CB C 11 39.583 39.583 40.143 -0.560 25124 753 1 2 . 1 1 11 11 ASP H H 11 9.166 9.166 8.548 0.618 25124 754 1 2 . 1 1 12 12 ASP N N 12 125.165 125.165 122.700 2.465 25124 755 1 2 . 1 1 12 12 ASP HA H 12 4.757 4.757 4.921 -0.164 25124 756 1 2 . 1 1 12 12 ASP C C 12 176.993 176.993 176.355 0.638 25124 757 1 2 . 1 1 12 12 ASP CA C 12 53.112 53.112 54.152 -1.040 25124 758 1 2 . 1 1 12 12 ASP CB C 12 41.072 41.072 44.285 -3.213 25124 759 1 2 . 1 1 12 12 ASP H H 12 10.290 10.290 7.750 2.540 25124 760 1 2 . 1 1 13 13 SER N N 13 123.818 123.818 118.921 4.897 25124 761 1 2 . 1 1 13 13 SER HA H 13 3.719 3.719 4.147 -0.428 25124 762 1 2 . 1 1 13 13 SER C C 13 176.146 176.146 175.809 0.337 25124 763 1 2 . 1 1 13 13 SER CA C 13 61.341 61.341 61.642 -0.301 25124 764 1 2 . 1 1 13 13 SER CB C 13 62.638 62.638 63.355 -0.717 25124 765 1 2 . 1 1 13 13 SER H H 13 8.993 8.993 8.845 0.148 25124 766 1 2 . 1 1 14 14 SER N N 14 118.714 118.714 118.114 0.600 25124 767 1 2 . 1 1 14 14 SER HA H 14 4.322 4.322 4.402 -0.080 25124 768 1 2 . 1 1 14 14 SER C C 14 176.411 176.411 175.998 0.413 25124 769 1 2 . 1 1 14 14 SER CA C 14 61.717 61.717 61.506 0.211 25124 770 1 2 . 1 1 14 14 SER CB C 14 62.554 62.554 62.786 -0.232 25124 771 1 2 . 1 1 14 14 SER H H 14 8.499 8.499 8.157 0.342 25124 772 1 2 . 1 1 15 15 ILE N N 15 122.822 122.822 123.172 -0.350 25124 773 1 2 . 1 1 15 15 ILE HA H 15 3.972 3.972 3.799 0.173 25124 774 1 2 . 1 1 15 15 ILE C C 15 177.786 177.786 178.430 -0.644 25124 775 1 2 . 1 1 15 15 ILE CA C 15 60.784 60.784 63.219 -2.436 25124 776 1 2 . 1 1 15 15 ILE CB C 15 36.016 36.016 36.349 -0.333 25124 777 1 2 . 1 1 15 15 ILE H H 15 7.011 7.011 8.351 -1.340 25124 778 1 2 . 1 1 16 16 ARG N N 16 116.580 116.580 118.278 -1.698 25124 779 1 2 . 1 1 16 16 ARG HA H 16 3.711 3.711 4.170 -0.459 25124 780 1 2 . 1 1 16 16 ARG C C 16 177.336 177.336 178.624 -1.288 25124 781 1 2 . 1 1 16 16 ARG CA C 16 61.632 61.632 59.563 2.069 25124 782 1 2 . 1 1 16 16 ARG CB C 16 30.520 30.520 30.404 0.116 25124 783 1 2 . 1 1 16 16 ARG H H 16 7.370 7.370 8.264 -0.893 25124 784 1 2 . 1 1 17 17 TRP N N 17 116.893 116.893 121.910 -5.017 25124 785 1 2 . 1 1 17 17 TRP HA H 17 4.481 4.481 4.444 0.037 25124 786 1 2 . 1 1 17 17 TRP C C 17 178.394 178.394 177.692 0.702 25124 787 1 2 . 1 1 17 17 TRP CA C 17 60.482 60.482 60.935 -0.453 25124 788 1 2 . 1 1 17 17 TRP CB C 17 29.372 29.372 29.477 -0.105 25124 789 1 2 . 1 1 17 17 TRP H H 17 8.020 8.020 7.405 0.615 25124 790 1 2 . 1 1 18 18 VAL N N 18 116.799 116.799 117.733 -0.934 25124 791 1 2 . 1 1 18 18 VAL HA H 18 3.662 3.662 2.698 0.964 25124 792 1 2 . 1 1 18 18 VAL C C 18 179.161 179.161 177.689 1.472 25124 793 1 2 . 1 1 18 18 VAL CA C 18 65.858 65.858 65.368 0.490 25124 794 1 2 . 1 1 18 18 VAL CB C 18 31.792 31.792 30.254 1.538 25124 795 1 2 . 1 1 18 18 VAL H H 18 8.085 8.085 8.606 -0.521 25124 796 1 2 . 1 1 19 19 LEU N N 19 119.595 119.595 120.721 -1.126 25124 797 1 2 . 1 1 19 19 LEU HA H 19 4.083 4.083 3.808 0.275 25124 798 1 2 . 1 1 19 19 LEU C C 19 177.759 177.759 178.629 -0.870 25124 799 1 2 . 1 1 19 19 LEU CA C 19 57.971 57.971 57.870 0.101 25124 800 1 2 . 1 1 19 19 LEU CB C 19 41.863 41.863 41.514 0.349 25124 801 1 2 . 1 1 19 19 LEU H H 19 8.035 8.035 7.337 0.698 25124 802 1 2 . 1 1 20 20 GLU N N 20 120.318 120.318 119.049 1.269 25124 803 1 2 . 1 1 20 20 GLU HA H 20 4.007 4.007 3.852 0.155 25124 804 1 2 . 1 1 20 20 GLU C C 20 178.500 178.500 179.249 -0.749 25124 805 1 2 . 1 1 20 20 GLU CA C 20 60.567 60.567 59.243 1.324 25124 806 1 2 . 1 1 20 20 GLU CB C 20 29.073 29.073 29.340 -0.267 25124 807 1 2 . 1 1 20 20 GLU H H 20 8.417 8.417 7.570 0.847 25124 808 1 2 . 1 1 21 21 ARG N N 21 115.981 115.981 117.649 -1.668 25124 809 1 2 . 1 1 21 21 ARG HA H 21 3.898 3.898 3.891 0.007 25124 810 1 2 . 1 1 21 21 ARG C C 21 179.769 179.769 178.031 1.738 25124 811 1 2 . 1 1 21 21 ARG CA C 21 58.491 58.491 58.662 -0.171 25124 812 1 2 . 1 1 21 21 ARG CB C 21 29.966 29.966 29.691 0.275 25124 813 1 2 . 1 1 21 21 ARG H H 21 7.579 7.579 7.730 -0.151 25124 814 1 2 . 1 1 22 22 ALA N N 22 122.267 122.267 121.622 0.645 25124 815 1 2 . 1 1 22 22 ALA HA H 22 4.110 4.110 4.100 0.010 25124 816 1 2 . 1 1 22 22 ALA C C 22 180.456 180.456 179.263 1.193 25124 817 1 2 . 1 1 22 22 ALA CA C 22 54.643 54.643 54.483 0.160 25124 818 1 2 . 1 1 22 22 ALA CB C 22 19.225 19.225 19.058 0.167 25124 819 1 2 . 1 1 22 22 ALA H H 22 7.933 7.933 7.607 0.326 25124 820 1 2 . 1 1 23 23 LEU N N 23 118.139 118.139 119.647 -1.508 25124 821 1 2 . 1 1 23 23 LEU HA H 23 4.005 4.005 3.844 0.161 25124 822 1 2 . 1 1 23 23 LEU C C 23 178.843 178.843 179.399 -0.556 25124 823 1 2 . 1 1 23 23 LEU CA C 23 57.765 57.765 57.880 -0.115 25124 824 1 2 . 1 1 23 23 LEU CB C 23 39.919 39.919 41.321 -1.402 25124 825 1 2 . 1 1 23 23 LEU H H 23 8.855 8.855 8.338 0.517 25124 826 1 2 . 1 1 24 24 ALA N N 24 122.164 122.164 120.120 2.044 25124 827 1 2 . 1 1 24 24 ALA HA H 24 4.665 4.665 4.060 0.605 25124 828 1 2 . 1 1 24 24 ALA C C 24 183.206 183.206 179.337 3.869 25124 829 1 2 . 1 1 24 24 ALA CA C 24 54.812 54.812 54.333 0.479 25124 830 1 2 . 1 1 24 24 ALA CB C 24 17.820 17.820 18.482 -0.662 25124 831 1 2 . 1 1 24 24 ALA H H 24 8.238 8.238 7.858 0.380 25124 832 1 2 . 1 1 25 25 GLY N N 25 106.903 106.903 105.387 1.516 25124 833 1 2 . 1 1 25 25 GLY C C 25 174.375 174.375 174.916 -0.541 25124 834 1 2 . 1 1 25 25 GLY CA C 25 46.550 46.550 45.511 1.039 25124 835 1 2 . 1 1 25 25 GLY H H 25 7.907 7.907 7.292 0.615 25124 836 1 2 . 1 1 26 26 ALA N N 26 121.832 121.832 122.292 -0.460 25124 837 1 2 . 1 1 26 26 ALA HA H 26 4.505 4.505 4.678 -0.173 25124 838 1 2 . 1 1 26 26 ALA CA C 26 51.585 51.585 51.192 0.393 25124 839 1 2 . 1 1 26 26 ALA CB C 26 18.799 18.799 19.243 -0.444 25124 840 1 2 . 1 1 26 26 ALA H H 26 7.316 7.316 7.692 -0.376 25124 841 1 2 . 1 1 27 27 GLY N N 27 106.146 106.146 107.114 -0.968 25124 842 1 2 . 1 1 27 27 GLY C C 27 174.057 174.057 174.597 -0.540 25124 843 1 2 . 1 1 27 27 GLY CA C 27 45.333 45.333 45.361 -0.028 25124 844 1 2 . 1 1 27 27 GLY H H 27 7.868 7.868 7.730 0.138 25124 845 1 2 . 1 1 28 28 LEU N N 28 120.273 120.273 121.006 -0.733 25124 846 1 2 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.257 0.318 25124 847 1 2 . 1 1 28 28 LEU C C 28 175.988 175.988 177.368 -1.380 25124 848 1 2 . 1 1 28 28 LEU CA C 28 53.881 53.881 55.058 -1.177 25124 849 1 2 . 1 1 28 28 LEU CB C 28 42.540 42.540 42.041 0.499 25124 850 1 2 . 1 1 28 28 LEU H H 28 7.659 7.659 7.582 0.077 25124 851 1 2 . 1 1 29 29 THR N N 29 118.173 118.173 119.194 -1.021 25124 852 1 2 . 1 1 29 29 THR HA H 29 4.346 4.346 4.181 0.165 25124 853 1 2 . 1 1 29 29 THR C C 29 173.344 173.344 173.740 -0.396 25124 854 1 2 . 1 1 29 29 THR CA C 29 62.598 62.598 63.421 -0.823 25124 855 1 2 . 1 1 29 29 THR CB C 29 69.423 69.423 68.224 1.199 25124 856 1 2 . 1 1 29 29 THR H H 29 8.562 8.562 8.183 0.379 25124 857 1 2 . 1 1 30 30 CYS N N 30 128.450 128.450 127.591 0.859 25124 858 1 2 . 1 1 30 30 CYS HA H 30 6.012 6.012 4.573 1.439 25124 859 1 2 . 1 1 30 30 CYS C C 30 173.978 173.978 174.133 -0.155 25124 860 1 2 . 1 1 30 30 CYS CA C 30 56.424 56.424 58.245 -1.821 25124 861 1 2 . 1 1 30 30 CYS CB C 30 29.615 29.615 28.845 0.770 25124 862 1 2 . 1 1 30 30 CYS H H 30 9.035 9.035 8.472 0.563 25124 863 1 2 . 1 1 31 31 THR N N 31 126.377 126.377 124.711 1.666 25124 864 1 2 . 1 1 31 31 THR HA H 31 4.442 4.442 4.467 -0.025 25124 865 1 2 . 1 1 31 31 THR C C 31 172.683 172.683 172.758 -0.075 25124 866 1 2 . 1 1 31 31 THR CA C 31 61.956 61.956 61.398 0.558 25124 867 1 2 . 1 1 31 31 THR CB C 31 70.624 70.624 71.993 -1.369 25124 868 1 2 . 1 1 31 31 THR H H 31 8.510 8.510 8.305 0.205 25124 869 1 2 . 1 1 32 32 THR N N 32 115.988 115.988 114.183 1.805 25124 870 1 2 . 1 1 32 32 THR HA H 32 5.454 5.454 4.806 0.648 25124 871 1 2 . 1 1 32 32 THR C C 32 172.259 172.259 172.108 0.151 25124 872 1 2 . 1 1 32 32 THR CA C 32 59.101 59.101 60.761 -1.660 25124 873 1 2 . 1 1 32 32 THR CB C 32 71.173 71.173 71.190 -0.017 25124 874 1 2 . 1 1 32 32 THR H H 32 8.301 8.301 7.746 0.555 25124 875 1 2 . 1 1 33 33 PHE N N 33 117.690 117.690 124.032 -6.342 25124 876 1 2 . 1 1 33 33 PHE HA H 33 4.723 4.723 4.818 -0.095 25124 877 1 2 . 1 1 33 33 PHE C C 33 174.507 174.507 176.307 -1.800 25124 878 1 2 . 1 1 33 33 PHE CA C 33 56.504 56.504 58.566 -2.062 25124 879 1 2 . 1 1 33 33 PHE CB C 33 43.589 43.589 40.403 3.186 25124 880 1 2 . 1 1 33 33 PHE H H 33 8.834 8.834 8.593 0.241 25124 881 1 2 . 1 1 34 34 GLU N N 34 118.296 118.296 115.810 2.486 25124 882 1 2 . 1 1 34 34 GLU HA H 34 4.451 4.451 4.318 0.133 25124 883 1 2 . 1 1 34 34 GLU C C 34 174.957 174.957 174.252 0.705 25124 884 1 2 . 1 1 34 34 GLU CA C 34 56.661 56.661 57.011 -0.350 25124 885 1 2 . 1 1 34 34 GLU CB C 34 31.792 31.792 31.076 0.716 25124 886 1 2 . 1 1 34 34 GLU H H 34 9.096 9.096 8.451 0.645 25124 887 1 2 . 1 1 35 35 ASN N N 35 108.486 108.486 114.454 -5.968 25124 888 1 2 . 1 1 35 35 ASN HA H 35 4.960 4.960 4.997 -0.037 25124 889 1 2 . 1 1 35 35 ASN C C 35 175.353 175.353 176.763 -1.410 25124 890 1 2 . 1 1 35 35 ASN CA C 35 52.364 52.364 51.348 1.016 25124 891 1 2 . 1 1 35 35 ASN CB C 35 40.932 40.932 40.554 0.378 25124 892 1 2 . 1 1 35 35 ASN H H 35 7.286 7.286 7.756 -0.470 25124 893 1 2 . 1 1 36 36 GLY N N 36 105.329 105.329 107.877 -2.548 25124 894 1 2 . 1 1 36 36 GLY C C 36 174.586 174.586 175.833 -1.247 25124 895 1 2 . 1 1 36 36 GLY CA C 36 47.533 47.533 47.372 0.161 25124 896 1 2 . 1 1 36 36 GLY H H 36 9.369 9.369 8.874 0.494 25124 897 1 2 . 1 1 37 37 ASN N N 37 120.396 120.396 119.447 0.949 25124 898 1 2 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.348 0.014 25124 899 1 2 . 1 1 37 37 ASN C C 37 178.791 178.791 177.505 1.286 25124 900 1 2 . 1 1 37 37 ASN CA C 37 56.843 56.843 56.364 0.479 25124 901 1 2 . 1 1 37 37 ASN CB C 37 37.716 37.716 38.185 -0.469 25124 902 1 2 . 1 1 37 37 ASN H H 37 8.440 8.440 8.399 0.041 25124 903 1 2 . 1 1 38 38 GLU N N 38 119.334 119.334 119.446 -0.112 25124 904 1 2 . 1 1 38 38 GLU HA H 38 4.058 4.058 3.910 0.148 25124 905 1 2 . 1 1 38 38 GLU C C 38 179.372 179.372 178.823 0.549 25124 906 1 2 . 1 1 38 38 GLU CA C 38 58.790 58.790 59.311 -0.521 25124 907 1 2 . 1 1 38 38 GLU CB C 38 30.692 30.692 29.671 1.021 25124 908 1 2 . 1 1 38 38 GLU H H 38 8.063 8.063 8.089 -0.026 25124 909 1 2 . 1 1 39 39 VAL N N 39 119.047 119.047 120.143 -1.096 25124 910 1 2 . 1 1 39 39 VAL HA H 39 2.599 2.599 2.732 -0.134 25124 911 1 2 . 1 1 39 39 VAL C C 39 176.807 176.807 177.943 -1.136 25124 912 1 2 . 1 1 39 39 VAL CA C 39 65.222 65.222 65.528 -0.306 25124 913 1 2 . 1 1 39 39 VAL CB C 39 31.078 31.078 31.350 -0.272 25124 914 1 2 . 1 1 39 39 VAL H H 39 6.844 6.844 7.281 -0.437 25124 915 1 2 . 1 1 40 40 LEU N N 40 118.385 118.385 120.829 -2.444 25124 916 1 2 . 1 1 40 40 LEU HA H 40 3.929 3.929 3.902 0.027 25124 917 1 2 . 1 1 40 40 LEU C C 40 179.584 179.584 178.067 1.517 25124 918 1 2 . 1 1 40 40 LEU CA C 40 57.943 57.943 57.984 -0.041 25124 919 1 2 . 1 1 40 40 LEU CB C 40 40.932 40.932 40.279 0.653 25124 920 1 2 . 1 1 40 40 LEU H H 40 7.715 7.715 7.930 -0.215 25124 921 1 2 . 1 1 41 41 ALA N N 41 120.091 120.091 120.349 -0.258 25124 922 1 2 . 1 1 41 41 ALA HA H 41 4.158 4.158 3.877 0.281 25124 923 1 2 . 1 1 41 41 ALA C C 41 180.562 180.562 178.704 1.858 25124 924 1 2 . 1 1 41 41 ALA CA C 41 54.717 54.717 55.078 -0.361 25124 925 1 2 . 1 1 41 41 ALA CB C 41 17.853 17.853 17.830 0.023 25124 926 1 2 . 1 1 41 41 ALA H H 41 7.671 7.671 7.676 -0.005 25124 927 1 2 . 1 1 42 42 ALA N N 42 122.650 122.650 119.805 2.845 25124 928 1 2 . 1 1 42 42 ALA HA H 42 4.221 4.221 4.202 0.019 25124 929 1 2 . 1 1 42 42 ALA C C 42 180.166 180.166 179.804 0.362 25124 930 1 2 . 1 1 42 42 ALA CA C 42 54.974 54.974 54.187 0.787 25124 931 1 2 . 1 1 42 42 ALA CB C 42 19.488 19.488 17.942 1.546 25124 932 1 2 . 1 1 42 42 ALA H H 42 7.573 7.573 6.932 0.641 25124 933 1 2 . 1 1 43 43 LEU N N 43 119.321 119.321 121.501 -2.180 25124 934 1 2 . 1 1 43 43 LEU HA H 43 5.260 5.260 4.682 0.578 25124 935 1 2 . 1 1 43 43 LEU C C 43 177.389 177.389 179.842 -2.453 25124 936 1 2 . 1 1 43 43 LEU CA C 43 55.446 55.446 57.883 -2.437 25124 937 1 2 . 1 1 43 43 LEU CB C 43 42.879 42.879 41.962 0.917 25124 938 1 2 . 1 1 43 43 LEU H H 43 8.289 8.289 8.434 -0.145 25124 939 1 2 . 1 1 44 44 ALA N N 44 118.995 118.995 120.086 -1.091 25124 940 1 2 . 1 1 44 44 ALA HA H 44 4.232 4.232 4.072 0.160 25124 941 1 2 . 1 1 44 44 ALA C C 44 178.738 178.738 178.806 -0.068 25124 942 1 2 . 1 1 44 44 ALA CA C 44 54.353 54.353 54.517 -0.164 25124 943 1 2 . 1 1 44 44 ALA CB C 44 18.674 18.674 18.735 -0.061 25124 944 1 2 . 1 1 44 44 ALA H H 44 7.307 7.307 8.316 -1.008 25124 945 1 2 . 1 1 45 45 SER N N 45 108.530 108.530 112.940 -4.410 25124 946 1 2 . 1 1 45 45 SER HA H 45 4.761 4.761 4.450 0.311 25124 947 1 2 . 1 1 45 45 SER C C 45 173.344 173.344 174.668 -1.324 25124 948 1 2 . 1 1 45 45 SER CA C 45 58.682 58.682 60.427 -1.745 25124 949 1 2 . 1 1 45 45 SER CB C 45 65.446 65.446 64.070 1.376 25124 950 1 2 . 1 1 45 45 SER H H 45 7.772 7.772 8.069 -0.297 25124 951 1 2 . 1 1 46 46 LYS N N 46 122.965 122.965 119.351 3.614 25124 952 1 2 . 1 1 46 46 LYS HA H 46 4.608 4.608 4.657 -0.049 25124 953 1 2 . 1 1 46 46 LYS C C 46 172.815 172.815 174.314 -1.499 25124 954 1 2 . 1 1 46 46 LYS CA C 46 55.601 55.601 55.484 0.117 25124 955 1 2 . 1 1 46 46 LYS CB C 46 36.399 36.399 35.769 0.630 25124 956 1 2 . 1 1 46 46 LYS H H 46 8.096 8.096 8.351 -0.255 25124 957 1 2 . 1 1 47 47 THR N N 47 111.524 111.524 114.755 -3.231 25124 958 1 2 . 1 1 47 47 THR HA H 47 4.307 4.307 4.541 -0.234 25124 959 1 2 . 1 1 47 47 THR CA C 47 57.896 57.896 58.587 -0.691 25124 960 1 2 . 1 1 47 47 THR CB C 47 70.570 70.570 69.263 1.307 25124 961 1 2 . 1 1 47 47 THR H H 47 7.708 7.708 8.197 -0.488 25124 962 1 2 . 1 1 48 48 PRO HA H 48 3.944 3.944 3.690 0.254 25124 963 1 2 . 1 1 48 48 PRO C C 48 173.079 173.079 175.657 -2.578 25124 964 1 2 . 1 1 48 48 PRO CA C 48 60.922 60.922 61.933 -1.011 25124 965 1 2 . 1 1 48 48 PRO CB C 48 30.353 30.353 32.409 -2.056 25124 966 1 2 . 1 1 49 49 ASP N N 49 115.001 115.001 117.619 -2.618 25124 967 1 2 . 1 1 49 49 ASP HA H 49 4.460 4.460 4.757 -0.297 25124 968 1 2 . 1 1 49 49 ASP C C 49 175.591 175.591 175.759 -0.168 25124 969 1 2 . 1 1 49 49 ASP CA C 49 56.504 56.504 54.696 1.808 25124 970 1 2 . 1 1 49 49 ASP CB C 49 42.625 42.625 43.852 -1.227 25124 971 1 2 . 1 1 49 49 ASP H H 49 8.535 8.535 8.237 0.298 25124 972 1 2 . 1 1 50 50 VAL N N 50 111.832 111.832 118.991 -7.159 25124 973 1 2 . 1 1 50 50 VAL HA H 50 4.316 4.316 4.375 -0.059 25124 974 1 2 . 1 1 50 50 VAL C C 50 171.572 171.572 174.445 -2.873 25124 975 1 2 . 1 1 50 50 VAL CA C 50 60.398 60.398 61.308 -0.910 25124 976 1 2 . 1 1 50 50 VAL CB C 50 34.650 34.650 32.394 2.256 25124 977 1 2 . 1 1 50 50 VAL H H 50 7.194 7.194 7.349 -0.155 25124 978 1 2 . 1 1 51 51 LEU N N 51 127.785 127.785 126.446 1.339 25124 979 1 2 . 1 1 51 51 LEU HA H 51 5.376 5.376 4.835 0.541 25124 980 1 2 . 1 1 51 51 LEU C C 51 173.264 173.264 175.185 -1.921 25124 981 1 2 . 1 1 51 51 LEU CA C 51 53.137 53.137 54.510 -1.373 25124 982 1 2 . 1 1 51 51 LEU CB C 51 46.680 46.680 44.169 2.511 25124 983 1 2 . 1 1 51 51 LEU H H 51 8.049 8.049 8.205 -0.156 25124 984 1 2 . 1 1 52 52 LEU N N 52 128.943 128.943 126.195 2.748 25124 985 1 2 . 1 1 52 52 LEU HA H 52 5.312 5.312 5.010 0.302 25124 986 1 2 . 1 1 52 52 LEU C C 52 174.692 174.692 176.641 -1.949 25124 987 1 2 . 1 1 52 52 LEU CA C 52 54.313 54.313 53.370 0.943 25124 988 1 2 . 1 1 52 52 LEU CB C 52 43.961 43.961 41.766 2.195 25124 989 1 2 . 1 1 52 52 LEU H H 52 9.278 9.278 7.947 1.331 25124 990 1 2 . 1 1 53 53 SER N N 53 116.717 116.717 117.768 -1.051 25124 991 1 2 . 1 1 53 53 SER HA H 53 5.395 5.395 4.271 1.124 25124 992 1 2 . 1 1 53 53 SER C C 53 173.608 173.608 173.254 0.354 25124 993 1 2 . 1 1 53 53 SER CA C 53 56.226 56.226 59.757 -3.530 25124 994 1 2 . 1 1 53 53 SER CB C 53 65.753 65.753 64.442 1.311 25124 995 1 2 . 1 1 53 53 SER H H 53 9.256 9.256 8.259 0.997 25124 996 1 2 . 1 1 54 54 ASP N N 54 127.909 127.909 121.698 6.211 25124 997 1 2 . 1 1 54 54 ASP HA H 54 5.622 5.622 5.456 0.166 25124 998 1 2 . 1 1 54 54 ASP C C 54 175.723 175.723 175.587 0.136 25124 999 1 2 . 1 1 54 54 ASP CA C 54 53.268 53.268 52.144 1.124 25124 1000 1 2 . 1 1 54 54 ASP CB C 54 44.386 44.386 43.647 0.739 25124 1001 1 2 . 1 1 54 54 ASP H H 54 8.219 8.219 8.618 -0.399 25124 1002 1 2 . 1 1 55 55 ILE N N 55 117.015 117.015 119.436 -2.421 25124 1003 1 2 . 1 1 55 55 ILE HA H 55 4.116 4.116 4.507 -0.391 25124 1004 1 2 . 1 1 55 55 ILE C C 55 176.913 176.913 174.719 2.194 25124 1005 1 2 . 1 1 55 55 ILE CA C 55 65.290 65.290 59.336 5.954 25124 1006 1 2 . 1 1 55 55 ILE CB C 55 38.487 38.487 36.844 1.643 25124 1007 1 2 . 1 1 55 55 ILE H H 55 7.812 7.812 8.095 -0.283 25124 1008 1 2 . 1 1 56 56 ARG N N 56 117.365 117.365 121.366 -4.001 25124 1009 1 2 . 1 1 56 56 ARG HA H 56 4.379 4.379 4.463 -0.084 25124 1010 1 2 . 1 1 56 56 ARG C C 56 172.788 172.788 174.095 -1.307 25124 1011 1 2 . 1 1 56 56 ARG CA C 56 57.034 57.034 56.236 0.798 25124 1012 1 2 . 1 1 56 56 ARG CB C 56 27.600 27.600 29.982 -2.382 25124 1013 1 2 . 1 1 56 56 ARG H H 56 8.991 8.991 7.981 1.010 25124 1014 1 2 . 1 1 57 57 MET N N 57 129.539 129.539 117.897 11.642 25124 1015 1 2 . 1 1 57 57 MET HA H 57 4.767 4.767 5.045 -0.278 25124 1016 1 2 . 1 1 57 57 MET CA C 57 53.641 53.641 52.725 0.916 25124 1017 1 2 . 1 1 57 57 MET CB C 57 36.484 36.484 33.683 2.801 25124 1018 1 2 . 1 1 57 57 MET H H 57 7.501 7.501 7.694 -0.193 25124 1019 1 2 . 1 1 58 58 PRO HA H 58 4.379 4.379 4.421 -0.042 25124 1020 1 2 . 1 1 58 58 PRO C C 58 177.495 177.495 177.610 -0.115 25124 1021 1 2 . 1 1 58 58 PRO CA C 58 63.104 63.104 63.748 -0.645 25124 1022 1 2 . 1 1 58 58 PRO CB C 58 31.922 31.922 32.151 -0.229 25124 1023 1 2 . 1 1 59 59 GLY N N 59 112.312 112.312 107.712 4.600 25124 1024 1 2 . 1 1 59 59 GLY C C 59 173.793 173.793 174.441 -0.648 25124 1025 1 2 . 1 1 59 59 GLY CA C 59 46.430 46.430 46.206 0.224 25124 1026 1 2 . 1 1 59 59 GLY H H 59 8.656 8.656 8.456 0.200 25124 1027 1 2 . 1 1 60 60 MET N N 60 124.343 124.343 118.153 6.190 25124 1028 1 2 . 1 1 60 60 MET HA H 60 4.344 4.344 4.565 -0.221 25124 1029 1 2 . 1 1 60 60 MET C C 60 174.190 174.190 174.857 -0.667 25124 1030 1 2 . 1 1 60 60 MET CA C 60 55.871 55.871 55.684 0.186 25124 1031 1 2 . 1 1 60 60 MET CB C 60 34.955 34.955 34.335 0.620 25124 1032 1 2 . 1 1 60 60 MET H H 60 7.778 7.778 8.246 -0.468 25124 1033 1 2 . 1 1 61 61 ASP N N 61 124.993 124.993 115.133 9.860 25124 1034 1 2 . 1 1 61 61 ASP HA H 61 4.870 4.870 4.720 0.150 25124 1035 1 2 . 1 1 61 61 ASP C C 61 176.966 176.966 175.072 1.894 25124 1036 1 2 . 1 1 61 61 ASP CA C 61 53.490 53.490 53.711 -0.221 25124 1037 1 2 . 1 1 61 61 ASP CB C 61 42.347 42.347 41.489 0.858 25124 1038 1 2 . 1 1 61 61 ASP H H 61 8.378 8.378 7.681 0.697 25124 1039 1 2 . 1 1 62 62 GLY N N 62 105.163 105.163 105.317 -0.154 25124 1040 1 2 . 1 1 62 62 GLY C C 62 175.935 175.935 175.650 0.285 25124 1041 1 2 . 1 1 62 62 GLY CA C 62 46.755 46.755 45.275 1.480 25124 1042 1 2 . 1 1 62 62 GLY H H 62 10.153 10.153 8.660 1.493 25124 1043 1 2 . 1 1 63 63 LEU N N 63 120.509 120.509 121.727 -1.218 25124 1044 1 2 . 1 1 63 63 LEU HA H 63 4.293 4.293 4.343 -0.050 25124 1045 1 2 . 1 1 63 63 LEU C C 63 179.293 179.293 178.129 1.164 25124 1046 1 2 . 1 1 63 63 LEU CA C 63 57.148 57.148 56.601 0.547 25124 1047 1 2 . 1 1 63 63 LEU CB C 63 40.053 40.053 41.988 -1.935 25124 1048 1 2 . 1 1 63 63 LEU H H 63 8.119 8.119 7.856 0.263 25124 1049 1 2 . 1 1 64 64 ALA N N 64 126.234 126.234 122.124 4.110 25124 1050 1 2 . 1 1 64 64 ALA HA H 64 4.112 4.112 4.057 0.055 25124 1051 1 2 . 1 1 64 64 ALA C C 64 181.223 181.223 178.713 2.510 25124 1052 1 2 . 1 1 64 64 ALA CA C 64 54.802 54.802 54.766 0.036 25124 1053 1 2 . 1 1 64 64 ALA CB C 64 18.133 18.133 18.182 -0.049 25124 1054 1 2 . 1 1 64 64 ALA H H 64 8.303 8.303 7.601 0.702 25124 1055 1 2 . 1 1 65 65 LEU N N 65 120.067 120.067 118.131 1.936 25124 1056 1 2 . 1 1 65 65 LEU HA H 65 4.044 4.044 4.255 -0.211 25124 1057 1 2 . 1 1 65 65 LEU C C 65 177.548 177.548 178.745 -1.197 25124 1058 1 2 . 1 1 65 65 LEU CA C 65 58.197 58.197 57.162 1.035 25124 1059 1 2 . 1 1 65 65 LEU CB C 65 41.727 41.727 42.458 -0.731 25124 1060 1 2 . 1 1 65 65 LEU H H 65 8.398 8.398 7.896 0.502 25124 1061 1 2 . 1 1 66 66 LEU N N 66 120.890 120.890 121.044 -0.154 25124 1062 1 2 . 1 1 66 66 LEU HA H 66 3.848 3.848 3.981 -0.133 25124 1063 1 2 . 1 1 66 66 LEU C C 66 177.230 177.230 178.313 -1.083 25124 1064 1 2 . 1 1 66 66 LEU CA C 66 58.736 58.736 57.581 1.155 25124 1065 1 2 . 1 1 66 66 LEU CB C 66 41.803 41.803 41.720 0.083 25124 1066 1 2 . 1 1 66 66 LEU H H 66 8.203 8.203 7.708 0.495 25124 1067 1 2 . 1 1 67 67 LYS N N 67 116.919 116.919 118.043 -1.124 25124 1068 1 2 . 1 1 67 67 LYS HA H 67 4.004 4.004 3.980 0.024 25124 1069 1 2 . 1 1 67 67 LYS C C 67 179.452 179.452 179.214 0.238 25124 1070 1 2 . 1 1 67 67 LYS CA C 67 59.733 59.733 59.179 0.554 25124 1071 1 2 . 1 1 67 67 LYS CB C 67 32.415 32.415 32.054 0.361 25124 1072 1 2 . 1 1 67 67 LYS H H 67 7.667 7.667 7.903 -0.236 25124 1073 1 2 . 1 1 68 68 GLN N N 68 116.851 116.851 118.935 -2.084 25124 1074 1 2 . 1 1 68 68 GLN HA H 68 4.046 4.046 4.114 -0.068 25124 1075 1 2 . 1 1 68 68 GLN C C 68 179.319 179.319 178.227 1.092 25124 1076 1 2 . 1 1 68 68 GLN CA C 68 58.820 58.820 58.926 -0.106 25124 1077 1 2 . 1 1 68 68 GLN CB C 68 28.660 28.660 29.503 -0.844 25124 1078 1 2 . 1 1 68 68 GLN H H 68 7.677 7.677 7.826 -0.149 25124 1079 1 2 . 1 1 69 69 ILE N N 69 120.670 120.670 115.398 5.272 25124 1080 1 2 . 1 1 69 69 ILE HA H 69 3.564 3.564 3.852 -0.288 25124 1081 1 2 . 1 1 69 69 ILE C C 69 177.786 177.786 177.587 0.199 25124 1082 1 2 . 1 1 69 69 ILE CA C 69 65.381 65.381 64.222 1.159 25124 1083 1 2 . 1 1 69 69 ILE CB C 69 37.186 37.186 37.414 -0.229 25124 1084 1 2 . 1 1 69 69 ILE H H 69 8.918 8.918 7.466 1.452 25124 1085 1 2 . 1 1 70 70 LYS N N 70 118.002 118.002 117.425 0.577 25124 1086 1 2 . 1 1 70 70 LYS HA H 70 3.936 3.936 4.194 -0.258 25124 1087 1 2 . 1 1 70 70 LYS C C 70 177.944 177.944 178.265 -0.321 25124 1088 1 2 . 1 1 70 70 LYS CA C 70 57.351 57.351 57.564 -0.213 25124 1089 1 2 . 1 1 70 70 LYS CB C 70 31.440 31.440 32.258 -0.818 25124 1090 1 2 . 1 1 70 70 LYS H H 70 8.592 8.592 7.897 0.695 25124 1091 1 2 . 1 1 71 71 GLN N N 71 114.891 114.891 117.776 -2.885 25124 1092 1 2 . 1 1 71 71 GLN HA H 71 4.063 4.063 4.234 -0.171 25124 1093 1 2 . 1 1 71 71 GLN C C 71 177.019 177.019 178.265 -1.246 25124 1094 1 2 . 1 1 71 71 GLN CA C 71 58.007 58.007 57.069 0.938 25124 1095 1 2 . 1 1 71 71 GLN CB C 71 29.168 29.168 29.451 -0.283 25124 1096 1 2 . 1 1 71 71 GLN H H 71 7.266 7.266 7.445 -0.179 25124 1097 1 2 . 1 1 72 72 ARG N N 72 116.364 116.364 118.744 -2.380 25124 1098 1 2 . 1 1 72 72 ARG HA H 72 4.130 4.130 3.956 0.174 25124 1099 1 2 . 1 1 72 72 ARG C C 72 175.803 175.803 176.017 -0.214 25124 1100 1 2 . 1 1 72 72 ARG CA C 72 57.174 57.174 58.201 -1.027 25124 1101 1 2 . 1 1 72 72 ARG CB C 72 32.638 32.638 30.422 2.216 25124 1102 1 2 . 1 1 72 72 ARG H H 72 7.254 7.254 8.315 -1.061 25124 1103 1 2 . 1 1 73 73 HIS N N 73 116.981 116.981 110.704 6.277 25124 1104 1 2 . 1 1 73 73 HIS HA H 73 4.994 4.994 4.942 0.052 25124 1105 1 2 . 1 1 73 73 HIS CA C 73 53.252 53.252 53.295 -0.043 25124 1106 1 2 . 1 1 73 73 HIS CB C 73 31.026 31.026 29.556 1.470 25124 1107 1 2 . 1 1 73 73 HIS H H 73 8.828 8.828 7.135 1.693 25124 1108 1 2 . 1 1 74 74 PRO HA H 74 4.435 4.435 4.552 -0.117 25124 1109 1 2 . 1 1 74 74 PRO C C 74 178.156 178.156 177.339 0.817 25124 1110 1 2 . 1 1 74 74 PRO CA C 74 65.284 65.284 64.004 1.280 25124 1111 1 2 . 1 1 74 74 PRO CB C 74 32.130 32.130 31.999 0.131 25124 1112 1 2 . 1 1 75 75 MET N N 75 114.676 114.676 116.328 -1.652 25124 1113 1 2 . 1 1 75 75 MET HA H 75 4.587 4.587 4.367 0.220 25124 1114 1 2 . 1 1 75 75 MET C C 75 176.067 176.067 175.716 0.351 25124 1115 1 2 . 1 1 75 75 MET CA C 75 54.304 54.304 56.805 -2.501 25124 1116 1 2 . 1 1 75 75 MET CB C 75 31.623 31.623 32.645 -1.022 25124 1117 1 2 . 1 1 75 75 MET H H 75 8.648 8.648 7.992 0.656 25124 1118 1 2 . 1 1 76 76 LEU N N 76 125.720 125.720 118.383 7.337 25124 1119 1 2 . 1 1 76 76 LEU HA H 76 4.293 4.293 4.335 -0.042 25124 1120 1 2 . 1 1 76 76 LEU CA C 76 53.472 53.472 52.238 1.234 25124 1121 1 2 . 1 1 76 76 LEU CB C 76 43.540 43.540 41.407 2.133 25124 1122 1 2 . 1 1 76 76 LEU H H 76 7.342 7.342 7.271 0.071 25124 1123 1 2 . 1 1 77 77 PRO HA H 77 4.440 4.440 4.487 -0.047 25124 1124 1 2 . 1 1 77 77 PRO C C 77 175.062 175.062 175.401 -0.339 25124 1125 1 2 . 1 1 77 77 PRO CA C 77 62.841 62.841 62.589 0.252 25124 1126 1 2 . 1 1 77 77 PRO CB C 77 31.903 31.903 32.270 -0.367 25124 1127 1 2 . 1 1 78 78 VAL N N 78 123.116 123.116 122.886 0.230 25124 1128 1 2 . 1 1 78 78 VAL HA H 78 5.093 5.093 4.450 0.643 25124 1129 1 2 . 1 1 78 78 VAL C C 78 175.776 175.776 174.840 0.936 25124 1130 1 2 . 1 1 78 78 VAL CA C 78 60.083 60.083 61.474 -1.391 25124 1131 1 2 . 1 1 78 78 VAL CB C 78 34.245 34.245 35.482 -1.237 25124 1132 1 2 . 1 1 78 78 VAL H H 78 8.369 8.369 8.488 -0.119 25124 1133 1 2 . 1 1 79 79 ILE N N 79 129.166 129.166 123.477 5.689 25124 1134 1 2 . 1 1 79 79 ILE HA H 79 4.499 4.499 4.619 -0.120 25124 1135 1 2 . 1 1 79 79 ILE C C 79 174.295 174.295 175.007 -0.712 25124 1136 1 2 . 1 1 79 79 ILE CA C 79 60.030 60.030 59.928 0.102 25124 1137 1 2 . 1 1 79 79 ILE CB C 79 40.222 40.222 41.228 -1.006 25124 1138 1 2 . 1 1 79 79 ILE H H 79 9.436 9.436 7.933 1.503 25124 1139 1 2 . 1 1 80 80 ILE N N 80 128.234 128.234 126.314 1.920 25124 1140 1 2 . 1 1 80 80 ILE HA H 80 5.253 5.253 4.330 0.923 25124 1141 1 2 . 1 1 80 80 ILE C C 80 173.449 173.449 174.443 -0.994 25124 1142 1 2 . 1 1 80 80 ILE CA C 80 56.265 56.265 60.142 -3.877 25124 1143 1 2 . 1 1 80 80 ILE CB C 80 38.176 38.176 37.449 0.727 25124 1144 1 2 . 1 1 80 80 ILE H H 80 7.920 7.920 8.217 -0.297 25124 1145 1 2 . 1 1 81 81 MET N N 81 124.079 124.079 128.798 -4.719 25124 1146 1 2 . 1 1 81 81 MET HA H 81 5.489 5.489 4.727 0.762 25124 1147 1 2 . 1 1 81 81 MET C C 81 173.820 173.820 173.780 0.040 25124 1148 1 2 . 1 1 81 81 MET CA C 81 52.889 52.889 54.742 -1.853 25124 1149 1 2 . 1 1 81 81 MET CB C 81 36.663 36.663 34.980 1.683 25124 1150 1 2 . 1 1 81 81 MET H H 81 9.028 9.028 8.172 0.856 25124 1151 1 2 . 1 1 82 82 THR N N 82 108.434 108.434 119.277 -10.843 25124 1152 1 2 . 1 1 82 82 THR HA H 82 5.134 5.134 4.761 0.373 25124 1153 1 2 . 1 1 82 82 THR C C 82 172.550 172.550 172.332 0.218 25124 1154 1 2 . 1 1 82 82 THR CA C 82 60.642 60.642 60.975 -0.333 25124 1155 1 2 . 1 1 82 82 THR CB C 82 68.843 68.843 70.770 -1.927 25124 1156 1 2 . 1 1 82 82 THR H H 82 7.098 7.098 8.100 -1.002 25124 1157 1 2 . 1 1 83 83 ALA N N 83 128.991 128.991 123.717 5.274 25124 1158 1 2 . 1 1 83 83 ALA HA H 83 4.678 4.678 4.863 -0.185 25124 1159 1 2 . 1 1 83 83 ALA C C 83 177.812 177.812 177.116 0.696 25124 1160 1 2 . 1 1 83 83 ALA CA C 83 52.457 52.457 50.386 2.071 25124 1161 1 2 . 1 1 83 83 ALA CB C 83 19.396 19.396 21.011 -1.615 25124 1162 1 2 . 1 1 83 83 ALA H H 83 8.590 8.590 8.334 0.256 25124 1163 1 2 . 1 1 84 84 HIS N N 84 121.904 121.904 115.185 6.719 25124 1164 1 2 . 1 1 84 84 HIS HA H 84 4.576 4.576 4.238 0.338 25124 1165 1 2 . 1 1 84 84 HIS C C 84 175.512 175.512 175.676 -0.164 25124 1166 1 2 . 1 1 84 84 HIS CA C 84 56.674 56.674 58.169 -1.496 25124 1167 1 2 . 1 1 84 84 HIS CB C 84 29.589 29.589 29.385 0.204 25124 1168 1 2 . 1 1 84 84 HIS H H 84 8.865 8.865 8.985 -0.120 25124 1169 1 2 . 1 1 85 85 SER N N 85 114.679 114.679 116.205 -1.526 25124 1170 1 2 . 1 1 85 85 SER HA H 85 4.303 4.303 4.072 0.231 25124 1171 1 2 . 1 1 85 85 SER C C 85 174.560 174.560 173.955 0.605 25124 1172 1 2 . 1 1 85 85 SER CA C 85 58.970 58.970 59.261 -0.291 25124 1173 1 2 . 1 1 85 85 SER CB C 85 62.829 62.829 63.123 -0.294 25124 1174 1 2 . 1 1 85 85 SER H H 85 8.016 8.016 7.395 0.621 25124 1175 1 2 . 1 1 86 86 ASP N N 86 122.325 122.325 121.044 1.281 25124 1176 1 2 . 1 1 86 86 ASP HA H 86 4.761 4.761 4.322 0.439 25124 1177 1 2 . 1 1 86 86 ASP C C 86 176.094 176.094 177.011 -0.917 25124 1178 1 2 . 1 1 86 86 ASP CA C 86 53.627 53.627 55.802 -2.175 25124 1179 1 2 . 1 1 86 86 ASP CB C 86 40.942 40.942 40.161 0.781 25124 1180 1 2 . 1 1 86 86 ASP H H 86 8.054 8.054 8.622 -0.568 25124 1181 1 2 . 1 1 87 87 LEU N N 87 122.041 122.041 119.635 2.406 25124 1182 1 2 . 1 1 87 87 LEU HA H 87 4.069 4.069 3.972 0.097 25124 1183 1 2 . 1 1 87 87 LEU C C 87 177.892 177.892 177.559 0.333 25124 1184 1 2 . 1 1 87 87 LEU CA C 87 57.182 57.182 57.267 -0.085 25124 1185 1 2 . 1 1 87 87 LEU CB C 87 42.015 42.015 41.818 0.197 25124 1186 1 2 . 1 1 87 87 LEU H H 87 8.005 8.005 7.467 0.538 25124 1187 1 2 . 1 1 88 88 ASP N N 88 118.050 118.050 120.301 -2.251 25124 1188 1 2 . 1 1 88 88 ASP HA H 88 4.370 4.370 4.229 0.141 25124 1189 1 2 . 1 1 88 88 ASP C C 88 178.103 178.103 177.594 0.509 25124 1190 1 2 . 1 1 88 88 ASP CA C 88 56.342 56.342 57.625 -1.283 25124 1191 1 2 . 1 1 88 88 ASP CB C 88 40.280 40.280 39.854 0.426 25124 1192 1 2 . 1 1 88 88 ASP H H 88 8.243 8.243 8.532 -0.289 25124 1193 1 2 . 1 1 89 89 ALA N N 89 122.780 122.780 121.021 1.759 25124 1194 1 2 . 1 1 89 89 ALA HA H 89 4.038 4.038 4.104 -0.066 25124 1195 1 2 . 1 1 89 89 ALA C C 89 178.526 178.526 178.742 -0.216 25124 1196 1 2 . 1 1 89 89 ALA CA C 89 54.655 54.655 54.170 0.485 25124 1197 1 2 . 1 1 89 89 ALA CB C 89 18.809 18.809 18.355 0.454 25124 1198 1 2 . 1 1 89 89 ALA H H 89 7.890 7.890 7.639 0.251 25124 1199 1 2 . 1 1 90 90 ALA N N 90 120.040 120.040 120.571 -0.531 25124 1200 1 2 . 1 1 90 90 ALA HA H 90 3.254 3.254 3.644 -0.390 25124 1201 1 2 . 1 1 90 90 ALA C C 90 178.976 178.976 178.965 0.011 25124 1202 1 2 . 1 1 90 90 ALA CA C 90 55.050 55.050 54.520 0.530 25124 1203 1 2 . 1 1 90 90 ALA CB C 90 17.725 17.725 18.186 -0.462 25124 1204 1 2 . 1 1 90 90 ALA H H 90 7.513 7.513 7.758 -0.245 25124 1205 1 2 . 1 1 91 91 VAL N N 91 116.635 116.635 117.646 -1.011 25124 1206 1 2 . 1 1 91 91 VAL HA H 91 3.637 3.637 3.805 -0.168 25124 1207 1 2 . 1 1 91 91 VAL C C 91 178.632 178.632 177.573 1.059 25124 1208 1 2 . 1 1 91 91 VAL CA C 91 65.971 65.971 66.304 -0.333 25124 1209 1 2 . 1 1 91 91 VAL CB C 91 31.623 31.623 32.100 -0.477 25124 1210 1 2 . 1 1 91 91 VAL H H 91 7.877 7.877 7.343 0.534 25124 1211 1 2 . 1 1 92 92 SER N N 92 115.439 115.439 116.331 -0.892 25124 1212 1 2 . 1 1 92 92 SER HA H 92 4.215 4.215 3.994 0.221 25124 1213 1 2 . 1 1 92 92 SER C C 92 175.961 175.961 176.677 -0.716 25124 1214 1 2 . 1 1 92 92 SER CA C 92 61.401 61.401 61.791 -0.390 25124 1215 1 2 . 1 1 92 92 SER CB C 92 62.966 62.966 62.796 0.170 25124 1216 1 2 . 1 1 92 92 SER H H 92 7.912 7.912 7.538 0.374 25124 1217 1 2 . 1 1 93 93 ALA N N 93 122.647 122.647 123.305 -0.658 25124 1218 1 2 . 1 1 93 93 ALA HA H 93 3.786 3.786 4.080 -0.294 25124 1219 1 2 . 1 1 93 93 ALA C C 93 179.293 179.293 179.333 -0.040 25124 1220 1 2 . 1 1 93 93 ALA CA C 93 55.172 55.172 54.679 0.493 25124 1221 1 2 . 1 1 93 93 ALA CB C 93 17.161 17.161 17.947 -0.786 25124 1222 1 2 . 1 1 93 93 ALA H H 93 8.199 8.199 8.031 0.168 25124 1223 1 2 . 1 1 94 94 TYR N N 94 117.796 117.796 119.315 -1.519 25124 1224 1 2 . 1 1 94 94 TYR HA H 94 4.283 4.283 4.129 0.154 25124 1225 1 2 . 1 1 94 94 TYR C C 94 179.954 179.954 178.953 1.001 25124 1226 1 2 . 1 1 94 94 TYR CA C 94 61.216 61.216 60.493 0.723 25124 1227 1 2 . 1 1 94 94 TYR CB C 94 37.716 37.716 37.680 0.036 25124 1228 1 2 . 1 1 94 94 TYR H H 94 8.065 8.065 7.485 0.580 25124 1229 1 2 . 1 1 95 95 GLN N N 95 120.057 120.057 117.732 2.325 25124 1230 1 2 . 1 1 95 95 GLN HA H 95 4.005 4.005 4.131 -0.127 25124 1231 1 2 . 1 1 95 95 GLN C C 95 177.680 177.680 177.699 -0.019 25124 1232 1 2 . 1 1 95 95 GLN CA C 95 58.471 58.471 58.252 0.219 25124 1233 1 2 . 1 1 95 95 GLN CB C 95 28.334 28.334 28.010 0.324 25124 1234 1 2 . 1 1 95 95 GLN H H 95 8.513 8.513 7.984 0.529 25124 1235 1 2 . 1 1 96 96 GLN N N 96 115.323 115.323 118.605 -3.282 25124 1236 1 2 . 1 1 96 96 GLN HA H 96 4.321 4.321 4.247 0.074 25124 1237 1 2 . 1 1 96 96 GLN C C 96 175.538 175.538 176.432 -0.894 25124 1238 1 2 . 1 1 96 96 GLN CA C 96 55.379 55.379 56.491 -1.112 25124 1239 1 2 . 1 1 96 96 GLN CB C 96 28.915 28.915 29.647 -0.732 25124 1240 1 2 . 1 1 96 96 GLN H H 96 7.774 7.774 7.700 0.074 25124 1241 1 2 . 1 1 97 97 GLY N N 97 104.173 104.173 105.524 -1.351 25124 1242 1 2 . 1 1 97 97 GLY C C 97 175.168 175.168 173.797 1.371 25124 1243 1 2 . 1 1 97 97 GLY CA C 97 45.491 45.491 44.553 0.938 25124 1244 1 2 . 1 1 97 97 GLY H H 97 7.576 7.576 7.691 -0.115 25124 1245 1 2 . 1 1 98 98 ALA N N 98 123.484 123.484 122.464 1.020 25124 1246 1 2 . 1 1 98 98 ALA HA H 98 4.266 4.266 4.443 -0.177 25124 1247 1 2 . 1 1 98 98 ALA C C 98 176.067 176.067 176.427 -0.360 25124 1248 1 2 . 1 1 98 98 ALA CA C 98 53.008 53.008 52.351 0.657 25124 1249 1 2 . 1 1 98 98 ALA CB C 98 18.556 18.556 19.874 -1.318 25124 1250 1 2 . 1 1 98 98 ALA H H 98 8.358 8.358 7.877 0.481 25124 1251 1 2 . 1 1 99 99 PHE N N 99 123.551 123.551 120.560 2.991 25124 1252 1 2 . 1 1 99 99 PHE HA H 99 4.259 4.259 4.687 -0.428 25124 1253 1 2 . 1 1 99 99 PHE C C 99 175.432 175.432 175.661 -0.229 25124 1254 1 2 . 1 1 99 99 PHE CA C 99 60.274 60.274 60.032 0.242 25124 1255 1 2 . 1 1 99 99 PHE CB C 99 40.375 40.375 40.947 -0.572 25124 1256 1 2 . 1 1 99 99 PHE H H 99 9.477 9.477 8.380 1.097 25124 1257 1 2 . 1 1 100 100 ASP N N 100 110.678 110.678 114.527 -3.849 25124 1258 1 2 . 1 1 100 100 ASP HA H 100 4.547 4.547 5.010 -0.463 25124 1259 1 2 . 1 1 100 100 ASP C C 100 173.053 173.053 173.694 -0.641 25124 1260 1 2 . 1 1 100 100 ASP CA C 100 52.527 52.527 53.956 -1.429 25124 1261 1 2 . 1 1 100 100 ASP CB C 100 44.789 44.789 44.110 0.679 25124 1262 1 2 . 1 1 100 100 ASP H H 100 7.683 7.683 8.065 -0.382 25124 1263 1 2 . 1 1 101 101 TYR N N 101 122.174 122.174 121.484 0.690 25124 1264 1 2 . 1 1 101 101 TYR HA H 101 5.425 5.425 5.151 0.274 25124 1265 1 2 . 1 1 101 101 TYR C C 101 172.550 172.550 174.725 -2.175 25124 1266 1 2 . 1 1 101 101 TYR CA C 101 55.865 55.865 56.601 -0.736 25124 1267 1 2 . 1 1 101 101 TYR CB C 101 41.760 41.760 39.625 2.135 25124 1268 1 2 . 1 1 101 101 TYR H H 101 9.874 9.874 8.733 1.141 25124 1269 1 2 . 1 1 102 102 LEU N N 102 129.337 129.337 129.611 -0.274 25124 1270 1 2 . 1 1 102 102 LEU HA H 102 4.677 4.677 4.692 -0.015 25124 1271 1 2 . 1 1 102 102 LEU CA C 102 50.418 50.418 50.576 -0.158 25124 1272 1 2 . 1 1 102 102 LEU CB C 102 45.066 45.066 43.817 1.249 25124 1273 1 2 . 1 1 102 102 LEU H H 102 8.974 8.974 8.079 0.895 25124 1274 1 2 . 1 1 103 103 PRO HA H 103 4.552 4.552 4.383 0.169 25124 1275 1 2 . 1 1 103 103 PRO C C 103 176.067 176.067 175.595 0.472 25124 1276 1 2 . 1 1 103 103 PRO CA C 103 61.951 61.951 62.309 -0.358 25124 1277 1 2 . 1 1 103 103 PRO CB C 103 31.829 31.829 32.322 -0.493 25124 1278 1 2 . 1 1 104 104 LYS N N 104 118.403 118.403 120.911 -2.508 25124 1279 1 2 . 1 1 104 104 LYS HA H 104 4.459 4.459 5.032 -0.573 25124 1280 1 2 . 1 1 104 104 LYS CA C 104 53.204 53.204 53.408 -0.204 25124 1281 1 2 . 1 1 104 104 LYS CB C 104 34.500 34.500 31.772 2.728 25124 1282 1 2 . 1 1 104 104 LYS H H 104 8.013 8.013 8.129 -0.116 25124 1283 1 2 . 1 1 105 105 PRO HA H 105 4.258 4.258 4.538 -0.280 25124 1284 1 2 . 1 1 105 105 PRO C C 105 174.930 174.930 176.112 -1.182 25124 1285 1 2 . 1 1 105 105 PRO CA C 105 62.213 62.213 63.060 -0.847 25124 1286 1 2 . 1 1 105 105 PRO CB C 105 34.151 34.151 31.858 2.293 25124 1287 1 2 . 1 1 106 106 PHE N N 106 116.796 116.796 120.724 -3.928 25124 1288 1 2 . 1 1 106 106 PHE HA H 106 5.169 5.169 4.807 0.362 25124 1289 1 2 . 1 1 106 106 PHE C C 106 175.194 175.194 174.882 0.312 25124 1290 1 2 . 1 1 106 106 PHE CA C 106 53.244 53.244 55.293 -2.049 25124 1291 1 2 . 1 1 106 106 PHE CB C 106 40.477 40.477 41.010 -0.533 25124 1292 1 2 . 1 1 106 106 PHE H H 106 7.399 7.399 7.601 -0.202 25124 1293 1 2 . 1 1 107 107 ASP N N 107 122.212 122.212 122.637 -0.425 25124 1294 1 2 . 1 1 107 107 ASP HA H 107 4.823 4.823 4.811 0.012 25124 1295 1 2 . 1 1 107 107 ASP C C 107 177.812 177.812 177.949 -0.137 25124 1296 1 2 . 1 1 107 107 ASP CA C 107 53.392 53.392 53.377 0.015 25124 1297 1 2 . 1 1 107 107 ASP CB C 107 42.455 42.455 41.476 0.979 25124 1298 1 2 . 1 1 107 107 ASP H H 107 9.047 9.047 8.714 0.333 25124 1299 1 2 . 1 1 108 108 ILE N N 108 127.963 127.963 123.838 4.125 25124 1300 1 2 . 1 1 108 108 ILE HA H 108 3.949 3.949 3.929 0.020 25124 1301 1 2 . 1 1 108 108 ILE C C 108 176.226 176.226 177.186 -0.960 25124 1302 1 2 . 1 1 108 108 ILE CA C 108 63.105 63.105 64.046 -0.941 25124 1303 1 2 . 1 1 108 108 ILE CB C 108 37.665 37.665 37.252 0.413 25124 1304 1 2 . 1 1 108 108 ILE H H 108 8.898 8.898 8.372 0.526 25124 1305 1 2 . 1 1 109 109 ASP N N 109 119.804 119.804 120.677 -0.873 25124 1306 1 2 . 1 1 109 109 ASP HA H 109 4.393 4.393 4.333 0.060 25124 1307 1 2 . 1 1 109 109 ASP C C 109 179.848 179.848 178.762 1.086 25124 1308 1 2 . 1 1 109 109 ASP CA C 109 57.483 57.483 58.180 -0.697 25124 1309 1 2 . 1 1 109 109 ASP CB C 109 39.986 39.986 40.476 -0.490 25124 1310 1 2 . 1 1 109 109 ASP H H 109 8.098 8.098 8.549 -0.451 25124 1311 1 2 . 1 1 110 110 GLU N N 110 121.667 121.667 118.629 3.038 25124 1312 1 2 . 1 1 110 110 GLU HA H 110 4.085 4.085 4.300 -0.215 25124 1313 1 2 . 1 1 110 110 GLU C C 110 178.976 178.976 178.144 0.832 25124 1314 1 2 . 1 1 110 110 GLU CA C 110 58.790 58.790 58.064 0.726 25124 1315 1 2 . 1 1 110 110 GLU CB C 110 29.330 29.330 29.997 -0.667 25124 1316 1 2 . 1 1 110 110 GLU H H 110 8.059 8.059 8.026 0.033 25124 1317 1 2 . 1 1 111 111 ALA N N 111 122.208 122.208 123.162 -0.954 25124 1318 1 2 . 1 1 111 111 ALA HA H 111 3.758 3.758 4.176 -0.418 25124 1319 1 2 . 1 1 111 111 ALA C C 111 178.605 178.605 179.388 -0.783 25124 1320 1 2 . 1 1 111 111 ALA CA C 111 55.320 55.320 54.935 0.385 25124 1321 1 2 . 1 1 111 111 ALA CB C 111 18.174 18.174 18.597 -0.423 25124 1322 1 2 . 1 1 111 111 ALA H H 111 7.903 7.903 7.595 0.308 25124 1323 1 2 . 1 1 112 112 VAL N N 112 116.429 116.429 118.750 -2.321 25124 1324 1 2 . 1 1 112 112 VAL HA H 112 3.194 3.194 3.567 -0.373 25124 1325 1 2 . 1 1 112 112 VAL C C 112 177.230 177.230 177.656 -0.426 25124 1326 1 2 . 1 1 112 112 VAL CA C 112 67.154 67.154 66.999 0.156 25124 1327 1 2 . 1 1 112 112 VAL CB C 112 31.538 31.538 31.582 -0.044 25124 1328 1 2 . 1 1 112 112 VAL H H 112 8.032 8.032 8.638 -0.606 25124 1329 1 2 . 1 1 113 113 ALA N N 113 120.198 120.198 119.730 0.468 25124 1330 1 2 . 1 1 113 113 ALA HA H 113 4.159 4.159 4.232 -0.073 25124 1331 1 2 . 1 1 113 113 ALA C C 113 180.589 180.589 178.970 1.619 25124 1332 1 2 . 1 1 113 113 ALA CA C 113 54.902 54.902 54.081 0.821 25124 1333 1 2 . 1 1 113 113 ALA CB C 113 17.980 17.980 18.788 -0.808 25124 1334 1 2 . 1 1 113 113 ALA H H 113 7.723 7.723 7.933 -0.210 25124 1335 1 2 . 1 1 114 114 LEU N N 114 120.742 120.742 120.158 0.584 25124 1336 1 2 . 1 1 114 114 LEU HA H 114 4.102 4.102 4.209 -0.107 25124 1337 1 2 . 1 1 114 114 LEU C C 114 178.605 178.605 178.190 0.415 25124 1338 1 2 . 1 1 114 114 LEU CA C 114 58.181 58.181 57.255 0.926 25124 1339 1 2 . 1 1 114 114 LEU CB C 114 42.032 42.032 42.080 -0.048 25124 1340 1 2 . 1 1 114 114 LEU H H 114 7.928 7.928 7.363 0.565 25124 1341 1 2 . 1 1 115 115 VAL N N 115 119.478 119.478 118.153 1.325 25124 1342 1 2 . 1 1 115 115 VAL HA H 115 3.250 3.250 3.435 -0.185 25124 1343 1 2 . 1 1 115 115 VAL C C 115 177.548 177.548 177.600 -0.052 25124 1344 1 2 . 1 1 115 115 VAL CA C 115 67.168 67.168 67.212 -0.044 25124 1345 1 2 . 1 1 115 115 VAL CB C 115 30.760 30.760 31.655 -0.895 25124 1346 1 2 . 1 1 115 115 VAL H H 115 7.846 7.846 8.405 -0.559 25124 1347 1 2 . 1 1 116 116 GLU N N 116 117.570 117.570 117.050 0.520 25124 1348 1 2 . 1 1 116 116 GLU HA H 116 3.809 3.809 4.109 -0.300 25124 1349 1 2 . 1 1 116 116 GLU C C 116 179.557 179.557 178.210 1.347 25124 1350 1 2 . 1 1 116 116 GLU CA C 116 59.974 59.974 58.267 1.707 25124 1351 1 2 . 1 1 116 116 GLU CB C 116 29.084 29.084 28.895 0.189 25124 1352 1 2 . 1 1 116 116 GLU H H 116 8.462 8.462 7.860 0.602 25124 1353 1 2 . 1 1 117 117 ARG N N 117 120.263 120.263 120.655 -0.392 25124 1354 1 2 . 1 1 117 117 ARG HA H 117 4.109 4.109 4.062 0.047 25124 1355 1 2 . 1 1 117 117 ARG C C 117 178.500 178.500 177.963 0.537 25124 1356 1 2 . 1 1 117 117 ARG CA C 117 59.411 59.411 59.536 -0.125 25124 1357 1 2 . 1 1 117 117 ARG CB C 117 30.414 30.414 30.179 0.235 25124 1358 1 2 . 1 1 117 117 ARG H H 117 8.090 8.090 7.566 0.524 25124 1359 1 2 . 1 1 118 118 ALA N N 118 122.157 122.157 119.513 2.644 25124 1360 1 2 . 1 1 118 118 ALA HA H 118 3.467 3.467 4.303 -0.836 25124 1361 1 2 . 1 1 118 118 ALA C C 118 178.632 178.632 179.510 -0.878 25124 1362 1 2 . 1 1 118 118 ALA CA C 118 54.739 54.739 54.069 0.670 25124 1363 1 2 . 1 1 118 118 ALA CB C 118 18.280 18.280 18.682 -0.402 25124 1364 1 2 . 1 1 118 118 ALA H H 118 8.005 8.005 7.165 0.840 25124 1365 1 2 . 1 1 119 119 ILE N N 119 115.429 115.429 119.485 -4.056 25124 1366 1 2 . 1 1 119 119 ILE HA H 119 3.706 3.706 3.785 -0.079 25124 1367 1 2 . 1 1 119 119 ILE C C 119 177.442 177.442 178.668 -1.226 25124 1368 1 2 . 1 1 119 119 ILE CA C 119 63.910 63.910 64.688 -0.778 25124 1369 1 2 . 1 1 119 119 ILE CB C 119 37.939 37.939 37.377 0.562 25124 1370 1 2 . 1 1 119 119 ILE H H 119 7.788 7.788 7.557 0.231 25124 1371 1 2 . 1 1 120 120 SER N N 120 114.902 114.902 115.938 -1.036 25124 1372 1 2 . 1 1 120 120 SER HA H 120 4.285 4.285 4.109 0.176 25124 1373 1 2 . 1 1 120 120 SER C C 120 175.142 175.142 176.412 -1.270 25124 1374 1 2 . 1 1 120 120 SER CA C 120 59.871 59.871 61.737 -1.866 25124 1375 1 2 . 1 1 120 120 SER CB C 120 63.522 63.522 62.637 0.885 25124 1376 1 2 . 1 1 120 120 SER H H 120 7.881 7.881 8.620 -0.739 25124 1377 1 2 . 1 1 121 121 HIS N N 121 119.927 119.927 120.783 -0.856 25124 1378 1 2 . 1 1 121 121 HIS HA H 121 4.439 4.439 4.210 0.229 25124 1379 1 2 . 1 1 121 121 HIS C C 121 174.957 174.957 175.464 -0.507 25124 1380 1 2 . 1 1 121 121 HIS CA C 121 57.362 57.362 58.466 -1.104 25124 1381 1 2 . 1 1 121 121 HIS CB C 121 29.496 29.496 29.911 -0.415 25124 1382 1 2 . 1 1 121 121 HIS H H 121 7.960 7.960 7.739 0.221 25124 1383 1 2 . 1 1 122 122 TYR N N 122 118.745 118.745 117.572 1.173 25124 1384 1 2 . 1 1 122 122 TYR HA H 122 4.455 4.455 4.611 -0.156 25124 1385 1 2 . 1 1 122 122 TYR C C 122 175.353 175.353 174.840 0.513 25124 1386 1 2 . 1 1 122 122 TYR CA C 122 58.528 58.528 57.143 1.385 25124 1387 1 2 . 1 1 122 122 TYR CB C 122 38.726 38.726 37.599 1.127 25124 1388 1 2 . 1 1 122 122 TYR H H 122 7.776 7.776 7.513 0.263 25124 1389 1 2 . 1 1 123 123 GLN N N 123 121.424 121.424 120.897 0.527 25124 1390 1 2 . 1 1 123 123 GLN HA H 123 4.294 4.294 4.389 -0.095 25124 1391 1 2 . 1 1 123 123 GLN C C 123 174.560 174.560 175.610 -1.050 25124 1392 1 2 . 1 1 123 123 GLN CA C 123 55.658 55.658 55.321 0.337 25124 1393 1 2 . 1 1 123 123 GLN CB C 123 29.877 29.877 30.052 -0.175 25124 1394 1 2 . 1 1 123 123 GLN H H 123 7.904 7.904 7.577 0.327 25124 1395 1 3 . 1 1 2 2 GLN HA H 2 4.453 4.453 4.565 -0.112 25124 1396 1 3 . 1 1 2 2 GLN C C 2 174.930 174.930 174.355 0.575 25124 1397 1 3 . 1 1 2 2 GLN CA C 2 55.627 55.627 56.379 -0.752 25124 1398 1 3 . 1 1 2 2 GLN CB C 2 29.312 29.312 30.001 -0.689 25124 1399 1 3 . 1 1 3 3 ARG N N 3 121.349 121.349 123.733 -2.384 25124 1400 1 3 . 1 1 3 3 ARG HA H 3 4.390 4.390 4.579 -0.189 25124 1401 1 3 . 1 1 3 3 ARG C C 3 175.723 175.723 173.752 1.971 25124 1402 1 3 . 1 1 3 3 ARG CA C 3 56.041 56.041 56.225 -0.184 25124 1403 1 3 . 1 1 3 3 ARG CB C 3 31.395 31.395 32.066 -0.671 25124 1404 1 3 . 1 1 3 3 ARG H H 3 8.451 8.451 8.260 0.191 25124 1405 1 3 . 1 1 4 4 GLY N N 4 107.889 107.889 107.793 0.096 25124 1406 1 3 . 1 1 4 4 GLY C C 4 171.122 171.122 172.757 -1.635 25124 1407 1 3 . 1 1 4 4 GLY CA C 4 45.333 45.333 44.742 0.591 25124 1408 1 3 . 1 1 4 4 GLY H H 4 8.037 8.037 8.281 -0.244 25124 1409 1 3 . 1 1 5 5 ILE N N 5 122.674 122.674 121.520 1.154 25124 1410 1 3 . 1 1 5 5 ILE HA H 5 4.731 4.731 3.949 0.782 25124 1411 1 3 . 1 1 5 5 ILE C C 5 175.459 175.459 174.866 0.593 25124 1412 1 3 . 1 1 5 5 ILE CA C 5 60.614 60.614 62.649 -2.035 25124 1413 1 3 . 1 1 5 5 ILE CB C 5 39.535 39.535 37.931 1.604 25124 1414 1 3 . 1 1 5 5 ILE H H 5 9.605 9.605 8.201 1.404 25124 1415 1 3 . 1 1 6 6 VAL N N 6 127.532 127.532 127.810 -0.278 25124 1416 1 3 . 1 1 6 6 VAL HA H 6 4.892 4.892 4.331 0.561 25124 1417 1 3 . 1 1 6 6 VAL C C 6 174.110 174.110 174.543 -0.433 25124 1418 1 3 . 1 1 6 6 VAL CA C 6 59.255 59.255 61.277 -2.022 25124 1419 1 3 . 1 1 6 6 VAL CB C 6 34.530 34.530 32.453 2.077 25124 1420 1 3 . 1 1 6 6 VAL H H 6 9.135 9.135 8.367 0.768 25124 1421 1 3 . 1 1 7 7 TRP N N 7 127.409 127.409 128.359 -0.950 25124 1422 1 3 . 1 1 7 7 TRP HA H 7 6.447 6.447 4.836 1.611 25124 1423 1 3 . 1 1 7 7 TRP C C 7 175.089 175.089 175.023 0.066 25124 1424 1 3 . 1 1 7 7 TRP CA C 7 52.797 52.797 54.477 -1.679 25124 1425 1 3 . 1 1 7 7 TRP CB C 7 33.255 33.255 29.910 3.345 25124 1426 1 3 . 1 1 7 7 TRP H H 7 8.544 8.544 8.626 -0.082 25124 1427 1 3 . 1 1 8 8 VAL N N 8 122.270 122.270 126.218 -3.948 25124 1428 1 3 . 1 1 8 8 VAL HA H 8 5.135 5.135 4.342 0.793 25124 1429 1 3 . 1 1 8 8 VAL C C 8 173.820 173.820 174.289 -0.469 25124 1430 1 3 . 1 1 8 8 VAL CA C 8 60.457 60.457 61.225 -0.768 25124 1431 1 3 . 1 1 8 8 VAL CB C 8 35.893 35.893 33.771 2.122 25124 1432 1 3 . 1 1 8 8 VAL H H 8 8.643 8.643 8.479 0.164 25124 1433 1 3 . 1 1 9 9 VAL N N 9 126.806 126.806 128.852 -2.046 25124 1434 1 3 . 1 1 9 9 VAL HA H 9 5.192 5.192 4.436 0.756 25124 1435 1 3 . 1 1 9 9 VAL C C 9 172.550 172.550 173.999 -1.449 25124 1436 1 3 . 1 1 9 9 VAL CA C 9 58.384 58.384 60.125 -1.741 25124 1437 1 3 . 1 1 9 9 VAL CB C 9 34.135 34.135 32.011 2.124 25124 1438 1 3 . 1 1 9 9 VAL H H 9 9.113 9.113 8.446 0.667 25124 1439 1 3 . 1 1 10 10 ASP N N 10 125.011 125.011 126.690 -1.679 25124 1440 1 3 . 1 1 10 10 ASP HA H 10 4.554 4.554 4.767 -0.213 25124 1441 1 3 . 1 1 10 10 ASP C C 10 174.877 174.877 173.999 0.878 25124 1442 1 3 . 1 1 10 10 ASP CA C 10 55.066 55.066 53.156 1.910 25124 1443 1 3 . 1 1 10 10 ASP CB C 10 44.131 44.131 43.556 0.575 25124 1444 1 3 . 1 1 10 10 ASP H H 10 7.881 7.881 7.976 -0.095 25124 1445 1 3 . 1 1 11 11 ASP N N 11 124.048 124.048 120.726 3.322 25124 1446 1 3 . 1 1 11 11 ASP HA H 11 4.613 4.613 4.799 -0.186 25124 1447 1 3 . 1 1 11 11 ASP C C 11 175.089 175.089 174.493 0.596 25124 1448 1 3 . 1 1 11 11 ASP CA C 11 55.346 55.346 53.917 1.429 25124 1449 1 3 . 1 1 11 11 ASP CB C 11 39.583 39.583 40.909 -1.326 25124 1450 1 3 . 1 1 11 11 ASP H H 11 9.166 9.166 8.533 0.633 25124 1451 1 3 . 1 1 12 12 ASP N N 12 125.165 125.165 122.554 2.611 25124 1452 1 3 . 1 1 12 12 ASP HA H 12 4.757 4.757 4.679 0.078 25124 1453 1 3 . 1 1 12 12 ASP C C 12 176.993 176.993 175.821 1.172 25124 1454 1 3 . 1 1 12 12 ASP CA C 12 53.112 53.112 54.520 -1.407 25124 1455 1 3 . 1 1 12 12 ASP CB C 12 41.072 41.072 43.759 -2.687 25124 1456 1 3 . 1 1 12 12 ASP H H 12 10.290 10.290 7.808 2.482 25124 1457 1 3 . 1 1 13 13 SER N N 13 123.818 123.818 119.412 4.406 25124 1458 1 3 . 1 1 13 13 SER HA H 13 3.719 3.719 4.167 -0.448 25124 1459 1 3 . 1 1 13 13 SER C C 13 176.146 176.146 176.053 0.093 25124 1460 1 3 . 1 1 13 13 SER CA C 13 61.341 61.341 61.063 0.278 25124 1461 1 3 . 1 1 13 13 SER CB C 13 62.638 62.638 63.422 -0.784 25124 1462 1 3 . 1 1 13 13 SER H H 13 8.993 8.993 8.822 0.171 25124 1463 1 3 . 1 1 14 14 SER N N 14 118.714 118.714 117.721 0.993 25124 1464 1 3 . 1 1 14 14 SER HA H 14 4.322 4.322 4.304 0.018 25124 1465 1 3 . 1 1 14 14 SER C C 14 176.411 176.411 176.077 0.334 25124 1466 1 3 . 1 1 14 14 SER CA C 14 61.717 61.717 61.960 -0.243 25124 1467 1 3 . 1 1 14 14 SER CB C 14 62.554 62.554 63.064 -0.510 25124 1468 1 3 . 1 1 14 14 SER H H 14 8.499 8.499 7.709 0.790 25124 1469 1 3 . 1 1 15 15 ILE N N 15 122.822 122.822 119.755 3.067 25124 1470 1 3 . 1 1 15 15 ILE HA H 15 3.972 3.972 3.839 0.133 25124 1471 1 3 . 1 1 15 15 ILE C C 15 177.786 177.786 177.765 0.021 25124 1472 1 3 . 1 1 15 15 ILE CA C 15 60.784 60.784 62.799 -2.015 25124 1473 1 3 . 1 1 15 15 ILE CB C 15 36.016 36.016 36.251 -0.235 25124 1474 1 3 . 1 1 15 15 ILE H H 15 7.011 7.011 8.337 -1.326 25124 1475 1 3 . 1 1 16 16 ARG N N 16 116.580 116.580 118.877 -2.297 25124 1476 1 3 . 1 1 16 16 ARG HA H 16 3.711 3.711 4.277 -0.566 25124 1477 1 3 . 1 1 16 16 ARG C C 16 177.336 177.336 178.594 -1.258 25124 1478 1 3 . 1 1 16 16 ARG CA C 16 61.632 61.632 58.436 3.196 25124 1479 1 3 . 1 1 16 16 ARG CB C 16 30.520 30.520 30.023 0.496 25124 1480 1 3 . 1 1 16 16 ARG H H 16 7.370 7.370 8.599 -1.229 25124 1481 1 3 . 1 1 17 17 TRP N N 17 116.893 116.893 122.472 -5.579 25124 1482 1 3 . 1 1 17 17 TRP HA H 17 4.481 4.481 4.542 -0.061 25124 1483 1 3 . 1 1 17 17 TRP C C 17 178.394 178.394 177.355 1.039 25124 1484 1 3 . 1 1 17 17 TRP CA C 17 60.482 60.482 61.236 -0.754 25124 1485 1 3 . 1 1 17 17 TRP CB C 17 29.372 29.372 29.540 -0.168 25124 1486 1 3 . 1 1 17 17 TRP H H 17 8.020 8.020 7.643 0.377 25124 1487 1 3 . 1 1 18 18 VAL N N 18 116.799 116.799 117.750 -0.951 25124 1488 1 3 . 1 1 18 18 VAL HA H 18 3.662 3.662 2.694 0.968 25124 1489 1 3 . 1 1 18 18 VAL C C 18 179.161 179.161 177.741 1.420 25124 1490 1 3 . 1 1 18 18 VAL CA C 18 65.858 65.858 66.147 -0.289 25124 1491 1 3 . 1 1 18 18 VAL CB C 18 31.792 31.792 30.946 0.846 25124 1492 1 3 . 1 1 18 18 VAL H H 18 8.085 8.085 7.775 0.310 25124 1493 1 3 . 1 1 19 19 LEU N N 19 119.595 119.595 119.480 0.115 25124 1494 1 3 . 1 1 19 19 LEU HA H 19 4.083 4.083 3.882 0.201 25124 1495 1 3 . 1 1 19 19 LEU C C 19 177.759 177.759 178.752 -0.993 25124 1496 1 3 . 1 1 19 19 LEU CA C 19 57.971 57.971 58.165 -0.194 25124 1497 1 3 . 1 1 19 19 LEU CB C 19 41.863 41.863 40.894 0.969 25124 1498 1 3 . 1 1 19 19 LEU H H 19 8.035 8.035 7.377 0.658 25124 1499 1 3 . 1 1 20 20 GLU N N 20 120.318 120.318 118.233 2.085 25124 1500 1 3 . 1 1 20 20 GLU HA H 20 4.007 4.007 3.945 0.062 25124 1501 1 3 . 1 1 20 20 GLU C C 20 178.500 178.500 179.315 -0.815 25124 1502 1 3 . 1 1 20 20 GLU CA C 20 60.567 60.567 58.774 1.793 25124 1503 1 3 . 1 1 20 20 GLU CB C 20 29.073 29.073 29.379 -0.306 25124 1504 1 3 . 1 1 20 20 GLU H H 20 8.417 8.417 7.594 0.823 25124 1505 1 3 . 1 1 21 21 ARG N N 21 115.981 115.981 118.241 -2.260 25124 1506 1 3 . 1 1 21 21 ARG HA H 21 3.898 3.898 3.938 -0.040 25124 1507 1 3 . 1 1 21 21 ARG C C 21 179.769 179.769 177.539 2.230 25124 1508 1 3 . 1 1 21 21 ARG CA C 21 58.491 58.491 58.264 0.228 25124 1509 1 3 . 1 1 21 21 ARG CB C 21 29.966 29.966 29.627 0.339 25124 1510 1 3 . 1 1 21 21 ARG H H 21 7.579 7.579 8.015 -0.436 25124 1511 1 3 . 1 1 22 22 ALA N N 22 122.267 122.267 121.643 0.624 25124 1512 1 3 . 1 1 22 22 ALA HA H 22 4.110 4.110 4.089 0.021 25124 1513 1 3 . 1 1 22 22 ALA C C 22 180.456 180.456 179.286 1.170 25124 1514 1 3 . 1 1 22 22 ALA CA C 22 54.643 54.643 54.385 0.258 25124 1515 1 3 . 1 1 22 22 ALA CB C 22 19.225 19.225 18.997 0.228 25124 1516 1 3 . 1 1 22 22 ALA H H 22 7.933 7.933 7.175 0.758 25124 1517 1 3 . 1 1 23 23 LEU N N 23 118.139 118.139 119.467 -1.328 25124 1518 1 3 . 1 1 23 23 LEU HA H 23 4.005 4.005 3.872 0.133 25124 1519 1 3 . 1 1 23 23 LEU C C 23 178.843 178.843 179.728 -0.885 25124 1520 1 3 . 1 1 23 23 LEU CA C 23 57.765 57.765 57.855 -0.090 25124 1521 1 3 . 1 1 23 23 LEU CB C 23 39.919 39.919 41.181 -1.262 25124 1522 1 3 . 1 1 23 23 LEU H H 23 8.855 8.855 7.752 1.103 25124 1523 1 3 . 1 1 24 24 ALA N N 24 122.164 122.164 119.978 2.186 25124 1524 1 3 . 1 1 24 24 ALA HA H 24 4.665 4.665 4.075 0.590 25124 1525 1 3 . 1 1 24 24 ALA C C 24 183.206 183.206 179.005 4.201 25124 1526 1 3 . 1 1 24 24 ALA CA C 24 54.812 54.812 54.233 0.579 25124 1527 1 3 . 1 1 24 24 ALA CB C 24 17.820 17.820 18.430 -0.610 25124 1528 1 3 . 1 1 24 24 ALA H H 24 8.238 8.238 7.831 0.407 25124 1529 1 3 . 1 1 25 25 GLY N N 25 106.903 106.903 104.714 2.189 25124 1530 1 3 . 1 1 25 25 GLY C C 25 174.375 174.375 174.607 -0.232 25124 1531 1 3 . 1 1 25 25 GLY CA C 25 46.550 46.550 45.422 1.128 25124 1532 1 3 . 1 1 25 25 GLY H H 25 7.907 7.907 7.434 0.473 25124 1533 1 3 . 1 1 26 26 ALA N N 26 121.832 121.832 121.906 -0.074 25124 1534 1 3 . 1 1 26 26 ALA HA H 26 4.505 4.505 4.622 -0.117 25124 1535 1 3 . 1 1 26 26 ALA CA C 26 51.585 51.585 51.490 0.095 25124 1536 1 3 . 1 1 26 26 ALA CB C 26 18.799 18.799 19.596 -0.797 25124 1537 1 3 . 1 1 26 26 ALA H H 26 7.316 7.316 7.716 -0.400 25124 1538 1 3 . 1 1 27 27 GLY N N 27 106.146 106.146 107.233 -1.087 25124 1539 1 3 . 1 1 27 27 GLY C C 27 174.057 174.057 174.133 -0.076 25124 1540 1 3 . 1 1 27 27 GLY CA C 27 45.333 45.333 45.321 0.012 25124 1541 1 3 . 1 1 27 27 GLY H H 27 7.868 7.868 7.904 -0.036 25124 1542 1 3 . 1 1 28 28 LEU N N 28 120.273 120.273 121.030 -0.757 25124 1543 1 3 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.147 0.428 25124 1544 1 3 . 1 1 28 28 LEU C C 28 175.988 175.988 177.137 -1.149 25124 1545 1 3 . 1 1 28 28 LEU CA C 28 53.881 53.881 54.876 -0.995 25124 1546 1 3 . 1 1 28 28 LEU CB C 28 42.540 42.540 41.961 0.579 25124 1547 1 3 . 1 1 28 28 LEU H H 28 7.659 7.659 7.549 0.110 25124 1548 1 3 . 1 1 29 29 THR N N 29 118.173 118.173 119.428 -1.255 25124 1549 1 3 . 1 1 29 29 THR HA H 29 4.346 4.346 4.167 0.179 25124 1550 1 3 . 1 1 29 29 THR C C 29 173.344 173.344 173.697 -0.353 25124 1551 1 3 . 1 1 29 29 THR CA C 29 62.598 62.598 63.547 -0.949 25124 1552 1 3 . 1 1 29 29 THR CB C 29 69.423 69.423 68.117 1.306 25124 1553 1 3 . 1 1 29 29 THR H H 29 8.562 8.562 8.343 0.219 25124 1554 1 3 . 1 1 30 30 CYS N N 30 128.450 128.450 127.975 0.475 25124 1555 1 3 . 1 1 30 30 CYS HA H 30 6.012 6.012 4.528 1.484 25124 1556 1 3 . 1 1 30 30 CYS C C 30 173.978 173.978 174.258 -0.280 25124 1557 1 3 . 1 1 30 30 CYS CA C 30 56.424 56.424 58.312 -1.888 25124 1558 1 3 . 1 1 30 30 CYS CB C 30 29.615 29.615 28.507 1.108 25124 1559 1 3 . 1 1 30 30 CYS H H 30 9.035 9.035 8.372 0.663 25124 1560 1 3 . 1 1 31 31 THR N N 31 126.377 126.377 124.688 1.689 25124 1561 1 3 . 1 1 31 31 THR HA H 31 4.442 4.442 4.538 -0.096 25124 1562 1 3 . 1 1 31 31 THR C C 31 172.683 172.683 172.635 0.048 25124 1563 1 3 . 1 1 31 31 THR CA C 31 61.956 61.956 61.520 0.436 25124 1564 1 3 . 1 1 31 31 THR CB C 31 70.624 70.624 71.769 -1.145 25124 1565 1 3 . 1 1 31 31 THR H H 31 8.510 8.510 8.401 0.109 25124 1566 1 3 . 1 1 32 32 THR N N 32 115.988 115.988 113.360 2.628 25124 1567 1 3 . 1 1 32 32 THR HA H 32 5.454 5.454 4.928 0.526 25124 1568 1 3 . 1 1 32 32 THR C C 32 172.259 172.259 171.796 0.463 25124 1569 1 3 . 1 1 32 32 THR CA C 32 59.101 59.101 60.525 -1.424 25124 1570 1 3 . 1 1 32 32 THR CB C 32 71.173 71.173 71.329 -0.156 25124 1571 1 3 . 1 1 32 32 THR H H 32 8.301 8.301 7.825 0.476 25124 1572 1 3 . 1 1 33 33 PHE N N 33 117.690 117.690 120.695 -3.005 25124 1573 1 3 . 1 1 33 33 PHE HA H 33 4.723 4.723 4.591 0.132 25124 1574 1 3 . 1 1 33 33 PHE C C 33 174.507 174.507 175.225 -0.718 25124 1575 1 3 . 1 1 33 33 PHE CA C 33 56.504 56.504 58.299 -1.795 25124 1576 1 3 . 1 1 33 33 PHE CB C 33 43.589 43.589 40.208 3.381 25124 1577 1 3 . 1 1 33 33 PHE H H 33 8.834 8.834 8.573 0.261 25124 1578 1 3 . 1 1 34 34 GLU N N 34 118.296 118.296 115.635 2.661 25124 1579 1 3 . 1 1 34 34 GLU HA H 34 4.451 4.451 4.363 0.088 25124 1580 1 3 . 1 1 34 34 GLU C C 34 174.957 174.957 173.853 1.104 25124 1581 1 3 . 1 1 34 34 GLU CA C 34 56.661 56.661 57.095 -0.434 25124 1582 1 3 . 1 1 34 34 GLU CB C 34 31.792 31.792 31.599 0.193 25124 1583 1 3 . 1 1 34 34 GLU H H 34 9.096 9.096 8.539 0.557 25124 1584 1 3 . 1 1 35 35 ASN N N 35 108.486 108.486 113.876 -5.390 25124 1585 1 3 . 1 1 35 35 ASN HA H 35 4.960 4.960 5.041 -0.081 25124 1586 1 3 . 1 1 35 35 ASN C C 35 175.353 175.353 176.558 -1.205 25124 1587 1 3 . 1 1 35 35 ASN CA C 35 52.364 52.364 51.678 0.686 25124 1588 1 3 . 1 1 35 35 ASN CB C 35 40.932 40.932 41.374 -0.442 25124 1589 1 3 . 1 1 35 35 ASN H H 35 7.286 7.286 7.801 -0.515 25124 1590 1 3 . 1 1 36 36 GLY N N 36 105.329 105.329 107.820 -2.491 25124 1591 1 3 . 1 1 36 36 GLY C C 36 174.586 174.586 175.683 -1.097 25124 1592 1 3 . 1 1 36 36 GLY CA C 36 47.533 47.533 47.296 0.237 25124 1593 1 3 . 1 1 36 36 GLY H H 36 9.369 9.369 8.995 0.374 25124 1594 1 3 . 1 1 37 37 ASN N N 37 120.396 120.396 118.410 1.986 25124 1595 1 3 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.303 0.059 25124 1596 1 3 . 1 1 37 37 ASN C C 37 178.791 178.791 177.487 1.304 25124 1597 1 3 . 1 1 37 37 ASN CA C 37 56.843 56.843 55.928 0.914 25124 1598 1 3 . 1 1 37 37 ASN CB C 37 37.716 37.716 37.984 -0.269 25124 1599 1 3 . 1 1 37 37 ASN H H 37 8.440 8.440 8.352 0.088 25124 1600 1 3 . 1 1 38 38 GLU N N 38 119.334 119.334 119.139 0.195 25124 1601 1 3 . 1 1 38 38 GLU HA H 38 4.058 4.058 3.912 0.146 25124 1602 1 3 . 1 1 38 38 GLU C C 38 179.372 179.372 178.792 0.580 25124 1603 1 3 . 1 1 38 38 GLU CA C 38 58.790 58.790 58.914 -0.124 25124 1604 1 3 . 1 1 38 38 GLU CB C 38 30.692 30.692 29.428 1.264 25124 1605 1 3 . 1 1 38 38 GLU H H 38 8.063 8.063 7.727 0.336 25124 1606 1 3 . 1 1 39 39 VAL N N 39 119.047 119.047 120.165 -1.118 25124 1607 1 3 . 1 1 39 39 VAL HA H 39 2.599 2.599 3.003 -0.404 25124 1608 1 3 . 1 1 39 39 VAL C C 39 176.807 176.807 178.065 -1.258 25124 1609 1 3 . 1 1 39 39 VAL CA C 39 65.222 65.222 65.638 -0.416 25124 1610 1 3 . 1 1 39 39 VAL CB C 39 31.078 31.078 31.165 -0.087 25124 1611 1 3 . 1 1 39 39 VAL H H 39 6.844 6.844 7.272 -0.428 25124 1612 1 3 . 1 1 40 40 LEU N N 40 118.385 118.385 121.158 -2.773 25124 1613 1 3 . 1 1 40 40 LEU HA H 40 3.929 3.929 3.878 0.051 25124 1614 1 3 . 1 1 40 40 LEU C C 40 179.584 179.584 178.080 1.504 25124 1615 1 3 . 1 1 40 40 LEU CA C 40 57.943 57.943 58.016 -0.073 25124 1616 1 3 . 1 1 40 40 LEU CB C 40 40.932 40.932 40.319 0.613 25124 1617 1 3 . 1 1 40 40 LEU H H 40 7.715 7.715 8.005 -0.290 25124 1618 1 3 . 1 1 41 41 ALA N N 41 120.091 120.091 120.532 -0.441 25124 1619 1 3 . 1 1 41 41 ALA HA H 41 4.158 4.158 3.898 0.260 25124 1620 1 3 . 1 1 41 41 ALA C C 41 180.562 180.562 179.247 1.315 25124 1621 1 3 . 1 1 41 41 ALA CA C 41 54.717 54.717 55.074 -0.357 25124 1622 1 3 . 1 1 41 41 ALA CB C 41 17.853 17.853 17.804 0.049 25124 1623 1 3 . 1 1 41 41 ALA H H 41 7.671 7.671 7.670 0.001 25124 1624 1 3 . 1 1 42 42 ALA N N 42 122.650 122.650 120.490 2.160 25124 1625 1 3 . 1 1 42 42 ALA HA H 42 4.221 4.221 4.231 -0.010 25124 1626 1 3 . 1 1 42 42 ALA C C 42 180.166 180.166 179.685 0.481 25124 1627 1 3 . 1 1 42 42 ALA CA C 42 54.974 54.974 54.174 0.800 25124 1628 1 3 . 1 1 42 42 ALA CB C 42 19.488 19.488 18.013 1.475 25124 1629 1 3 . 1 1 42 42 ALA H H 42 7.573 7.573 6.989 0.584 25124 1630 1 3 . 1 1 43 43 LEU N N 43 119.321 119.321 119.582 -0.261 25124 1631 1 3 . 1 1 43 43 LEU HA H 43 5.260 5.260 4.681 0.579 25124 1632 1 3 . 1 1 43 43 LEU C C 43 177.389 177.389 178.604 -1.215 25124 1633 1 3 . 1 1 43 43 LEU CA C 43 55.446 55.446 57.798 -2.352 25124 1634 1 3 . 1 1 43 43 LEU CB C 43 42.879 42.879 42.140 0.739 25124 1635 1 3 . 1 1 43 43 LEU H H 43 8.289 8.289 8.304 -0.015 25124 1636 1 3 . 1 1 44 44 ALA N N 44 118.995 118.995 118.700 0.295 25124 1637 1 3 . 1 1 44 44 ALA HA H 44 4.232 4.232 4.134 0.098 25124 1638 1 3 . 1 1 44 44 ALA C C 44 178.738 178.738 178.763 -0.025 25124 1639 1 3 . 1 1 44 44 ALA CA C 44 54.353 54.353 54.116 0.237 25124 1640 1 3 . 1 1 44 44 ALA CB C 44 18.674 18.674 19.152 -0.478 25124 1641 1 3 . 1 1 44 44 ALA H H 44 7.307 7.307 7.985 -0.678 25124 1642 1 3 . 1 1 45 45 SER N N 45 108.530 108.530 112.844 -4.314 25124 1643 1 3 . 1 1 45 45 SER HA H 45 4.761 4.761 4.391 0.370 25124 1644 1 3 . 1 1 45 45 SER C C 45 173.344 173.344 175.279 -1.935 25124 1645 1 3 . 1 1 45 45 SER CA C 45 58.682 58.682 60.229 -1.547 25124 1646 1 3 . 1 1 45 45 SER CB C 45 65.446 65.446 63.923 1.523 25124 1647 1 3 . 1 1 45 45 SER H H 45 7.772 7.772 7.880 -0.108 25124 1648 1 3 . 1 1 46 46 LYS N N 46 122.965 122.965 117.082 5.883 25124 1649 1 3 . 1 1 46 46 LYS HA H 46 4.608 4.608 4.701 -0.093 25124 1650 1 3 . 1 1 46 46 LYS C C 46 172.815 172.815 174.206 -1.391 25124 1651 1 3 . 1 1 46 46 LYS CA C 46 55.601 55.601 55.162 0.439 25124 1652 1 3 . 1 1 46 46 LYS CB C 46 36.399 36.399 36.607 -0.208 25124 1653 1 3 . 1 1 46 46 LYS H H 46 8.096 8.096 8.567 -0.471 25124 1654 1 3 . 1 1 47 47 THR N N 47 111.524 111.524 112.860 -1.336 25124 1655 1 3 . 1 1 47 47 THR HA H 47 4.307 4.307 4.555 -0.248 25124 1656 1 3 . 1 1 47 47 THR CA C 47 57.896 57.896 57.951 -0.055 25124 1657 1 3 . 1 1 47 47 THR CB C 47 70.570 70.570 69.738 0.832 25124 1658 1 3 . 1 1 47 47 THR H H 47 7.708 7.708 8.131 -0.423 25124 1659 1 3 . 1 1 48 48 PRO HA H 48 3.944 3.944 3.841 0.103 25124 1660 1 3 . 1 1 48 48 PRO C C 48 173.079 173.079 175.812 -2.733 25124 1661 1 3 . 1 1 48 48 PRO CA C 48 60.922 60.922 62.008 -1.086 25124 1662 1 3 . 1 1 48 48 PRO CB C 48 30.353 30.353 32.400 -2.046 25124 1663 1 3 . 1 1 49 49 ASP N N 49 115.001 115.001 118.651 -3.650 25124 1664 1 3 . 1 1 49 49 ASP HA H 49 4.460 4.460 4.638 -0.178 25124 1665 1 3 . 1 1 49 49 ASP C C 49 175.591 175.591 176.066 -0.475 25124 1666 1 3 . 1 1 49 49 ASP CA C 49 56.504 56.504 55.606 0.898 25124 1667 1 3 . 1 1 49 49 ASP CB C 49 42.625 42.625 43.220 -0.595 25124 1668 1 3 . 1 1 49 49 ASP H H 49 8.535 8.535 8.078 0.457 25124 1669 1 3 . 1 1 50 50 VAL N N 50 111.832 111.832 118.289 -6.457 25124 1670 1 3 . 1 1 50 50 VAL HA H 50 4.316 4.316 4.343 -0.027 25124 1671 1 3 . 1 1 50 50 VAL C C 50 171.572 171.572 174.341 -2.769 25124 1672 1 3 . 1 1 50 50 VAL CA C 50 60.398 60.398 61.328 -0.930 25124 1673 1 3 . 1 1 50 50 VAL CB C 50 34.650 34.650 32.311 2.339 25124 1674 1 3 . 1 1 50 50 VAL H H 50 7.194 7.194 7.327 -0.133 25124 1675 1 3 . 1 1 51 51 LEU N N 51 127.785 127.785 126.296 1.489 25124 1676 1 3 . 1 1 51 51 LEU HA H 51 5.376 5.376 4.923 0.453 25124 1677 1 3 . 1 1 51 51 LEU C C 51 173.264 173.264 175.267 -2.003 25124 1678 1 3 . 1 1 51 51 LEU CA C 51 53.137 53.137 54.278 -1.141 25124 1679 1 3 . 1 1 51 51 LEU CB C 51 46.680 46.680 44.462 2.218 25124 1680 1 3 . 1 1 51 51 LEU H H 51 8.049 8.049 8.179 -0.130 25124 1681 1 3 . 1 1 52 52 LEU N N 52 128.943 128.943 125.630 3.313 25124 1682 1 3 . 1 1 52 52 LEU HA H 52 5.312 5.312 5.150 0.162 25124 1683 1 3 . 1 1 52 52 LEU C C 52 174.692 174.692 176.677 -1.985 25124 1684 1 3 . 1 1 52 52 LEU CA C 52 54.313 54.313 53.232 1.081 25124 1685 1 3 . 1 1 52 52 LEU CB C 52 43.961 43.961 41.378 2.583 25124 1686 1 3 . 1 1 52 52 LEU H H 52 9.278 9.278 8.016 1.262 25124 1687 1 3 . 1 1 53 53 SER N N 53 116.717 116.717 116.778 -0.061 25124 1688 1 3 . 1 1 53 53 SER HA H 53 5.395 5.395 4.320 1.075 25124 1689 1 3 . 1 1 53 53 SER C C 53 173.608 173.608 173.703 -0.095 25124 1690 1 3 . 1 1 53 53 SER CA C 53 56.226 56.226 58.471 -2.245 25124 1691 1 3 . 1 1 53 53 SER CB C 53 65.753 65.753 64.527 1.226 25124 1692 1 3 . 1 1 53 53 SER H H 53 9.256 9.256 8.007 1.249 25124 1693 1 3 . 1 1 54 54 ASP N N 54 127.909 127.909 119.646 8.263 25124 1694 1 3 . 1 1 54 54 ASP HA H 54 5.622 5.622 5.428 0.194 25124 1695 1 3 . 1 1 54 54 ASP C C 54 175.723 175.723 175.672 0.051 25124 1696 1 3 . 1 1 54 54 ASP CA C 54 53.268 53.268 53.132 0.136 25124 1697 1 3 . 1 1 54 54 ASP CB C 54 44.386 44.386 44.843 -0.457 25124 1698 1 3 . 1 1 54 54 ASP H H 54 8.219 8.219 8.408 -0.189 25124 1699 1 3 . 1 1 55 55 ILE N N 55 117.015 117.015 117.200 -0.185 25124 1700 1 3 . 1 1 55 55 ILE HA H 55 4.116 4.116 4.577 -0.461 25124 1701 1 3 . 1 1 55 55 ILE C C 55 176.913 176.913 174.850 2.063 25124 1702 1 3 . 1 1 55 55 ILE CA C 55 65.290 65.290 59.268 6.022 25124 1703 1 3 . 1 1 55 55 ILE CB C 55 38.487 38.487 37.405 1.082 25124 1704 1 3 . 1 1 55 55 ILE H H 55 7.812 7.812 8.378 -0.566 25124 1705 1 3 . 1 1 56 56 ARG N N 56 117.365 117.365 121.071 -3.706 25124 1706 1 3 . 1 1 56 56 ARG HA H 56 4.379 4.379 4.492 -0.113 25124 1707 1 3 . 1 1 56 56 ARG C C 56 172.788 172.788 174.027 -1.239 25124 1708 1 3 . 1 1 56 56 ARG CA C 56 57.034 57.034 56.436 0.598 25124 1709 1 3 . 1 1 56 56 ARG CB C 56 27.600 27.600 29.776 -2.175 25124 1710 1 3 . 1 1 56 56 ARG H H 56 8.991 8.991 8.017 0.974 25124 1711 1 3 . 1 1 57 57 MET N N 57 129.539 129.539 117.372 12.167 25124 1712 1 3 . 1 1 57 57 MET HA H 57 4.767 4.767 5.097 -0.330 25124 1713 1 3 . 1 1 57 57 MET CA C 57 53.641 53.641 52.500 1.141 25124 1714 1 3 . 1 1 57 57 MET CB C 57 36.484 36.484 34.273 2.211 25124 1715 1 3 . 1 1 57 57 MET H H 57 7.501 7.501 7.827 -0.326 25124 1716 1 3 . 1 1 58 58 PRO HA H 58 4.379 4.379 4.507 -0.128 25124 1717 1 3 . 1 1 58 58 PRO C C 58 177.495 177.495 175.590 1.905 25124 1718 1 3 . 1 1 58 58 PRO CA C 58 63.104 63.104 63.504 -0.400 25124 1719 1 3 . 1 1 58 58 PRO CB C 58 31.922 31.922 29.942 1.980 25124 1720 1 3 . 1 1 59 59 GLY N N 59 112.312 112.312 110.491 1.821 25124 1721 1 3 . 1 1 59 59 GLY C C 59 173.793 173.793 173.250 0.543 25124 1722 1 3 . 1 1 59 59 GLY CA C 59 46.430 46.430 45.776 0.654 25124 1723 1 3 . 1 1 59 59 GLY H H 59 8.656 8.656 8.654 0.002 25124 1724 1 3 . 1 1 60 60 MET N N 60 124.343 124.343 118.893 5.450 25124 1725 1 3 . 1 1 60 60 MET HA H 60 4.344 4.344 4.772 -0.428 25124 1726 1 3 . 1 1 60 60 MET C C 60 174.190 174.190 174.338 -0.148 25124 1727 1 3 . 1 1 60 60 MET CA C 60 55.871 55.871 55.895 -0.024 25124 1728 1 3 . 1 1 60 60 MET CB C 60 34.955 34.955 34.141 0.814 25124 1729 1 3 . 1 1 60 60 MET H H 60 7.778 7.778 8.312 -0.534 25124 1730 1 3 . 1 1 61 61 ASP N N 61 124.993 124.993 116.696 8.297 25124 1731 1 3 . 1 1 61 61 ASP HA H 61 4.870 4.870 4.808 0.062 25124 1732 1 3 . 1 1 61 61 ASP C C 61 176.966 176.966 175.077 1.889 25124 1733 1 3 . 1 1 61 61 ASP CA C 61 53.490 53.490 53.897 -0.407 25124 1734 1 3 . 1 1 61 61 ASP CB C 61 42.347 42.347 43.133 -0.786 25124 1735 1 3 . 1 1 61 61 ASP H H 61 8.378 8.378 7.957 0.421 25124 1736 1 3 . 1 1 62 62 GLY N N 62 105.163 105.163 106.941 -1.778 25124 1737 1 3 . 1 1 62 62 GLY C C 62 175.935 175.935 175.789 0.146 25124 1738 1 3 . 1 1 62 62 GLY CA C 62 46.755 46.755 45.267 1.488 25124 1739 1 3 . 1 1 62 62 GLY H H 62 10.153 10.153 8.699 1.454 25124 1740 1 3 . 1 1 63 63 LEU N N 63 120.509 120.509 122.828 -2.319 25124 1741 1 3 . 1 1 63 63 LEU HA H 63 4.293 4.293 3.966 0.327 25124 1742 1 3 . 1 1 63 63 LEU C C 63 179.293 179.293 178.241 1.052 25124 1743 1 3 . 1 1 63 63 LEU CA C 63 57.148 57.148 58.194 -1.046 25124 1744 1 3 . 1 1 63 63 LEU CB C 63 40.053 40.053 41.735 -1.682 25124 1745 1 3 . 1 1 63 63 LEU H H 63 8.119 8.119 8.018 0.101 25124 1746 1 3 . 1 1 64 64 ALA N N 64 126.234 126.234 120.448 5.786 25124 1747 1 3 . 1 1 64 64 ALA HA H 64 4.112 4.112 4.081 0.031 25124 1748 1 3 . 1 1 64 64 ALA C C 64 181.223 181.223 178.558 2.665 25124 1749 1 3 . 1 1 64 64 ALA CA C 64 54.802 54.802 54.728 0.074 25124 1750 1 3 . 1 1 64 64 ALA CB C 64 18.133 18.133 17.874 0.259 25124 1751 1 3 . 1 1 64 64 ALA H H 64 8.303 8.303 8.007 0.296 25124 1752 1 3 . 1 1 65 65 LEU N N 65 120.067 120.067 117.626 2.441 25124 1753 1 3 . 1 1 65 65 LEU HA H 65 4.044 4.044 4.233 -0.189 25124 1754 1 3 . 1 1 65 65 LEU C C 65 177.548 177.548 178.851 -1.303 25124 1755 1 3 . 1 1 65 65 LEU CA C 65 58.197 58.197 57.159 1.038 25124 1756 1 3 . 1 1 65 65 LEU CB C 65 41.727 41.727 42.294 -0.567 25124 1757 1 3 . 1 1 65 65 LEU H H 65 8.398 8.398 7.379 1.019 25124 1758 1 3 . 1 1 66 66 LEU N N 66 120.890 120.890 121.343 -0.453 25124 1759 1 3 . 1 1 66 66 LEU HA H 66 3.848 3.848 3.986 -0.138 25124 1760 1 3 . 1 1 66 66 LEU C C 66 177.230 177.230 178.410 -1.180 25124 1761 1 3 . 1 1 66 66 LEU CA C 66 58.736 58.736 57.657 1.079 25124 1762 1 3 . 1 1 66 66 LEU CB C 66 41.803 41.803 41.789 0.014 25124 1763 1 3 . 1 1 66 66 LEU H H 66 8.203 8.203 8.437 -0.234 25124 1764 1 3 . 1 1 67 67 LYS N N 67 116.919 116.919 118.054 -1.135 25124 1765 1 3 . 1 1 67 67 LYS HA H 67 4.004 4.004 3.987 0.017 25124 1766 1 3 . 1 1 67 67 LYS C C 67 179.452 179.452 179.272 0.180 25124 1767 1 3 . 1 1 67 67 LYS CA C 67 59.733 59.733 59.226 0.507 25124 1768 1 3 . 1 1 67 67 LYS CB C 67 32.415 32.415 32.026 0.389 25124 1769 1 3 . 1 1 67 67 LYS H H 67 7.667 7.667 8.293 -0.626 25124 1770 1 3 . 1 1 68 68 GLN N N 68 116.851 116.851 118.886 -2.035 25124 1771 1 3 . 1 1 68 68 GLN HA H 68 4.046 4.046 4.128 -0.082 25124 1772 1 3 . 1 1 68 68 GLN C C 68 179.319 179.319 178.219 1.100 25124 1773 1 3 . 1 1 68 68 GLN CA C 68 58.820 58.820 58.911 -0.091 25124 1774 1 3 . 1 1 68 68 GLN CB C 68 28.660 28.660 29.528 -0.868 25124 1775 1 3 . 1 1 68 68 GLN H H 68 7.677 7.677 7.689 -0.012 25124 1776 1 3 . 1 1 69 69 ILE N N 69 120.670 120.670 115.540 5.130 25124 1777 1 3 . 1 1 69 69 ILE HA H 69 3.564 3.564 3.870 -0.306 25124 1778 1 3 . 1 1 69 69 ILE C C 69 177.786 177.786 177.625 0.161 25124 1779 1 3 . 1 1 69 69 ILE CA C 69 65.381 65.381 64.125 1.256 25124 1780 1 3 . 1 1 69 69 ILE CB C 69 37.186 37.186 37.430 -0.244 25124 1781 1 3 . 1 1 69 69 ILE H H 69 8.918 8.918 7.478 1.440 25124 1782 1 3 . 1 1 70 70 LYS N N 70 118.002 118.002 117.477 0.525 25124 1783 1 3 . 1 1 70 70 LYS HA H 70 3.936 3.936 4.191 -0.255 25124 1784 1 3 . 1 1 70 70 LYS C C 70 177.944 177.944 178.206 -0.262 25124 1785 1 3 . 1 1 70 70 LYS CA C 70 57.351 57.351 57.622 -0.271 25124 1786 1 3 . 1 1 70 70 LYS CB C 70 31.440 31.440 32.312 -0.872 25124 1787 1 3 . 1 1 70 70 LYS H H 70 8.592 8.592 7.935 0.657 25124 1788 1 3 . 1 1 71 71 GLN N N 71 114.891 114.891 117.757 -2.866 25124 1789 1 3 . 1 1 71 71 GLN HA H 71 4.063 4.063 4.229 -0.166 25124 1790 1 3 . 1 1 71 71 GLN C C 71 177.019 177.019 178.106 -1.087 25124 1791 1 3 . 1 1 71 71 GLN CA C 71 58.007 58.007 57.146 0.861 25124 1792 1 3 . 1 1 71 71 GLN CB C 71 29.168 29.168 29.511 -0.343 25124 1793 1 3 . 1 1 71 71 GLN H H 71 7.266 7.266 7.464 -0.198 25124 1794 1 3 . 1 1 72 72 ARG N N 72 116.364 116.364 119.462 -3.098 25124 1795 1 3 . 1 1 72 72 ARG HA H 72 4.130 4.130 3.974 0.156 25124 1796 1 3 . 1 1 72 72 ARG C C 72 175.803 175.803 175.739 0.064 25124 1797 1 3 . 1 1 72 72 ARG CA C 72 57.174 57.174 58.171 -0.997 25124 1798 1 3 . 1 1 72 72 ARG CB C 72 32.638 32.638 30.520 2.118 25124 1799 1 3 . 1 1 72 72 ARG H H 72 7.254 7.254 8.211 -0.957 25124 1800 1 3 . 1 1 73 73 HIS N N 73 116.981 116.981 110.068 6.913 25124 1801 1 3 . 1 1 73 73 HIS HA H 73 4.994 4.994 4.910 0.084 25124 1802 1 3 . 1 1 73 73 HIS CA C 73 53.252 53.252 53.225 0.027 25124 1803 1 3 . 1 1 73 73 HIS CB C 73 31.026 31.026 29.668 1.358 25124 1804 1 3 . 1 1 73 73 HIS H H 73 8.828 8.828 7.203 1.625 25124 1805 1 3 . 1 1 74 74 PRO HA H 74 4.435 4.435 4.540 -0.105 25124 1806 1 3 . 1 1 74 74 PRO C C 74 178.156 178.156 177.545 0.611 25124 1807 1 3 . 1 1 74 74 PRO CA C 74 65.284 65.284 64.150 1.135 25124 1808 1 3 . 1 1 74 74 PRO CB C 74 32.130 32.130 32.090 0.040 25124 1809 1 3 . 1 1 75 75 MET N N 75 114.676 114.676 116.092 -1.416 25124 1810 1 3 . 1 1 75 75 MET HA H 75 4.587 4.587 4.459 0.128 25124 1811 1 3 . 1 1 75 75 MET C C 75 176.067 176.067 176.421 -0.354 25124 1812 1 3 . 1 1 75 75 MET CA C 75 54.304 54.304 56.259 -1.955 25124 1813 1 3 . 1 1 75 75 MET CB C 75 31.623 31.623 32.093 -0.470 25124 1814 1 3 . 1 1 75 75 MET H H 75 8.648 8.648 8.077 0.571 25124 1815 1 3 . 1 1 76 76 LEU N N 76 125.720 125.720 119.793 5.927 25124 1816 1 3 . 1 1 76 76 LEU HA H 76 4.293 4.293 4.249 0.044 25124 1817 1 3 . 1 1 76 76 LEU CA C 76 53.472 53.472 52.264 1.208 25124 1818 1 3 . 1 1 76 76 LEU CB C 76 43.540 43.540 41.917 1.623 25124 1819 1 3 . 1 1 76 76 LEU H H 76 7.342 7.342 7.433 -0.091 25124 1820 1 3 . 1 1 77 77 PRO HA H 77 4.440 4.440 4.486 -0.046 25124 1821 1 3 . 1 1 77 77 PRO C C 77 175.062 175.062 175.309 -0.247 25124 1822 1 3 . 1 1 77 77 PRO CA C 77 62.841 62.841 62.755 0.086 25124 1823 1 3 . 1 1 77 77 PRO CB C 77 31.903 31.903 31.751 0.152 25124 1824 1 3 . 1 1 78 78 VAL N N 78 123.116 123.116 122.830 0.286 25124 1825 1 3 . 1 1 78 78 VAL HA H 78 5.093 5.093 4.359 0.734 25124 1826 1 3 . 1 1 78 78 VAL C C 78 175.776 175.776 174.752 1.024 25124 1827 1 3 . 1 1 78 78 VAL CA C 78 60.083 60.083 60.862 -0.779 25124 1828 1 3 . 1 1 78 78 VAL CB C 78 34.245 34.245 35.356 -1.111 25124 1829 1 3 . 1 1 78 78 VAL H H 78 8.369 8.369 8.295 0.074 25124 1830 1 3 . 1 1 79 79 ILE N N 79 129.166 129.166 123.880 5.286 25124 1831 1 3 . 1 1 79 79 ILE HA H 79 4.499 4.499 4.574 -0.075 25124 1832 1 3 . 1 1 79 79 ILE C C 79 174.295 174.295 175.079 -0.784 25124 1833 1 3 . 1 1 79 79 ILE CA C 79 60.030 60.030 60.115 -0.085 25124 1834 1 3 . 1 1 79 79 ILE CB C 79 40.222 40.222 41.091 -0.869 25124 1835 1 3 . 1 1 79 79 ILE H H 79 9.436 9.436 7.833 1.603 25124 1836 1 3 . 1 1 80 80 ILE N N 80 128.234 128.234 126.090 2.144 25124 1837 1 3 . 1 1 80 80 ILE HA H 80 5.253 5.253 4.308 0.945 25124 1838 1 3 . 1 1 80 80 ILE C C 80 173.449 173.449 174.686 -1.237 25124 1839 1 3 . 1 1 80 80 ILE CA C 80 56.265 56.265 59.997 -3.732 25124 1840 1 3 . 1 1 80 80 ILE CB C 80 38.176 38.176 37.682 0.494 25124 1841 1 3 . 1 1 80 80 ILE H H 80 7.920 7.920 8.201 -0.281 25124 1842 1 3 . 1 1 81 81 MET N N 81 124.079 124.079 128.370 -4.291 25124 1843 1 3 . 1 1 81 81 MET HA H 81 5.489 5.489 4.596 0.893 25124 1844 1 3 . 1 1 81 81 MET C C 81 173.820 173.820 173.780 0.040 25124 1845 1 3 . 1 1 81 81 MET CA C 81 52.889 52.889 54.814 -1.925 25124 1846 1 3 . 1 1 81 81 MET CB C 81 36.663 36.663 34.989 1.674 25124 1847 1 3 . 1 1 81 81 MET H H 81 9.028 9.028 8.151 0.877 25124 1848 1 3 . 1 1 82 82 THR N N 82 108.434 108.434 120.082 -11.648 25124 1849 1 3 . 1 1 82 82 THR HA H 82 5.134 5.134 4.589 0.545 25124 1850 1 3 . 1 1 82 82 THR C C 82 172.550 172.550 172.409 0.141 25124 1851 1 3 . 1 1 82 82 THR CA C 82 60.642 60.642 61.016 -0.374 25124 1852 1 3 . 1 1 82 82 THR CB C 82 68.843 68.843 70.359 -1.516 25124 1853 1 3 . 1 1 82 82 THR H H 82 7.098 7.098 8.193 -1.095 25124 1854 1 3 . 1 1 83 83 ALA N N 83 128.991 128.991 122.689 6.302 25124 1855 1 3 . 1 1 83 83 ALA HA H 83 4.678 4.678 4.822 -0.144 25124 1856 1 3 . 1 1 83 83 ALA C C 83 177.812 177.812 178.160 -0.348 25124 1857 1 3 . 1 1 83 83 ALA CA C 83 52.457 52.457 51.144 1.313 25124 1858 1 3 . 1 1 83 83 ALA CB C 83 19.396 19.396 20.399 -1.003 25124 1859 1 3 . 1 1 83 83 ALA H H 83 8.590 8.590 8.288 0.302 25124 1860 1 3 . 1 1 84 84 HIS N N 84 121.904 121.904 115.549 6.355 25124 1861 1 3 . 1 1 84 84 HIS HA H 84 4.576 4.576 4.263 0.313 25124 1862 1 3 . 1 1 84 84 HIS C C 84 175.512 175.512 175.483 0.029 25124 1863 1 3 . 1 1 84 84 HIS CA C 84 56.674 56.674 58.039 -1.365 25124 1864 1 3 . 1 1 84 84 HIS CB C 84 29.589 29.589 29.441 0.148 25124 1865 1 3 . 1 1 84 84 HIS H H 84 8.865 8.865 9.047 -0.182 25124 1866 1 3 . 1 1 85 85 SER N N 85 114.679 114.679 116.318 -1.639 25124 1867 1 3 . 1 1 85 85 SER HA H 85 4.303 4.303 3.985 0.318 25124 1868 1 3 . 1 1 85 85 SER C C 85 174.560 174.560 174.247 0.313 25124 1869 1 3 . 1 1 85 85 SER CA C 85 58.970 58.970 59.320 -0.350 25124 1870 1 3 . 1 1 85 85 SER CB C 85 62.829 62.829 63.053 -0.224 25124 1871 1 3 . 1 1 85 85 SER H H 85 8.016 8.016 7.595 0.421 25124 1872 1 3 . 1 1 86 86 ASP N N 86 122.325 122.325 122.006 0.319 25124 1873 1 3 . 1 1 86 86 ASP HA H 86 4.761 4.761 4.300 0.461 25124 1874 1 3 . 1 1 86 86 ASP C C 86 176.094 176.094 177.006 -0.912 25124 1875 1 3 . 1 1 86 86 ASP CA C 86 53.627 53.627 56.065 -2.438 25124 1876 1 3 . 1 1 86 86 ASP CB C 86 40.942 40.942 40.277 0.665 25124 1877 1 3 . 1 1 86 86 ASP H H 86 8.054 8.054 8.749 -0.695 25124 1878 1 3 . 1 1 87 87 LEU N N 87 122.041 122.041 120.018 2.023 25124 1879 1 3 . 1 1 87 87 LEU HA H 87 4.069 4.069 3.962 0.107 25124 1880 1 3 . 1 1 87 87 LEU C C 87 177.892 177.892 177.669 0.223 25124 1881 1 3 . 1 1 87 87 LEU CA C 87 57.182 57.182 57.298 -0.116 25124 1882 1 3 . 1 1 87 87 LEU CB C 87 42.015 42.015 41.935 0.080 25124 1883 1 3 . 1 1 87 87 LEU H H 87 8.005 8.005 7.604 0.401 25124 1884 1 3 . 1 1 88 88 ASP N N 88 118.050 118.050 120.076 -2.026 25124 1885 1 3 . 1 1 88 88 ASP HA H 88 4.370 4.370 4.236 0.134 25124 1886 1 3 . 1 1 88 88 ASP C C 88 178.103 178.103 177.329 0.774 25124 1887 1 3 . 1 1 88 88 ASP CA C 88 56.342 56.342 57.502 -1.160 25124 1888 1 3 . 1 1 88 88 ASP CB C 88 40.280 40.280 40.476 -0.196 25124 1889 1 3 . 1 1 88 88 ASP H H 88 8.243 8.243 8.558 -0.315 25124 1890 1 3 . 1 1 89 89 ALA N N 89 122.780 122.780 120.990 1.790 25124 1891 1 3 . 1 1 89 89 ALA HA H 89 4.038 4.038 3.964 0.074 25124 1892 1 3 . 1 1 89 89 ALA C C 89 178.526 178.526 178.676 -0.150 25124 1893 1 3 . 1 1 89 89 ALA CA C 89 54.655 54.655 54.386 0.269 25124 1894 1 3 . 1 1 89 89 ALA CB C 89 18.809 18.809 18.483 0.326 25124 1895 1 3 . 1 1 89 89 ALA H H 89 7.890 7.890 7.669 0.221 25124 1896 1 3 . 1 1 90 90 ALA N N 90 120.040 120.040 120.990 -0.950 25124 1897 1 3 . 1 1 90 90 ALA HA H 90 3.254 3.254 3.763 -0.509 25124 1898 1 3 . 1 1 90 90 ALA C C 90 178.976 178.976 179.404 -0.428 25124 1899 1 3 . 1 1 90 90 ALA CA C 90 55.050 55.050 54.742 0.308 25124 1900 1 3 . 1 1 90 90 ALA CB C 90 17.725 17.725 17.933 -0.208 25124 1901 1 3 . 1 1 90 90 ALA H H 90 7.513 7.513 7.826 -0.313 25124 1902 1 3 . 1 1 91 91 VAL N N 91 116.635 116.635 117.916 -1.281 25124 1903 1 3 . 1 1 91 91 VAL HA H 91 3.637 3.637 4.028 -0.391 25124 1904 1 3 . 1 1 91 91 VAL C C 91 178.632 178.632 178.057 0.575 25124 1905 1 3 . 1 1 91 91 VAL CA C 91 65.971 65.971 64.314 1.657 25124 1906 1 3 . 1 1 91 91 VAL CB C 91 31.623 31.623 30.958 0.665 25124 1907 1 3 . 1 1 91 91 VAL H H 91 7.877 7.877 7.383 0.494 25124 1908 1 3 . 1 1 92 92 SER N N 92 115.439 115.439 116.862 -1.423 25124 1909 1 3 . 1 1 92 92 SER HA H 92 4.215 4.215 4.347 -0.132 25124 1910 1 3 . 1 1 92 92 SER C C 92 175.961 175.961 176.852 -0.891 25124 1911 1 3 . 1 1 92 92 SER CA C 92 61.401 61.401 61.691 -0.290 25124 1912 1 3 . 1 1 92 92 SER CB C 92 62.966 62.966 62.872 0.094 25124 1913 1 3 . 1 1 92 92 SER H H 92 7.912 7.912 7.490 0.422 25124 1914 1 3 . 1 1 93 93 ALA N N 93 122.647 122.647 123.507 -0.860 25124 1915 1 3 . 1 1 93 93 ALA HA H 93 3.786 3.786 3.973 -0.187 25124 1916 1 3 . 1 1 93 93 ALA C C 93 179.293 179.293 179.743 -0.450 25124 1917 1 3 . 1 1 93 93 ALA CA C 93 55.172 55.172 55.006 0.166 25124 1918 1 3 . 1 1 93 93 ALA CB C 93 17.161 17.161 18.003 -0.842 25124 1919 1 3 . 1 1 93 93 ALA H H 93 8.199 8.199 8.318 -0.119 25124 1920 1 3 . 1 1 94 94 TYR N N 94 117.796 117.796 118.221 -0.425 25124 1921 1 3 . 1 1 94 94 TYR HA H 94 4.283 4.283 4.199 0.084 25124 1922 1 3 . 1 1 94 94 TYR C C 94 179.954 179.954 178.781 1.173 25124 1923 1 3 . 1 1 94 94 TYR CA C 94 61.216 61.216 60.602 0.614 25124 1924 1 3 . 1 1 94 94 TYR CB C 94 37.716 37.716 37.767 -0.051 25124 1925 1 3 . 1 1 94 94 TYR H H 94 8.065 8.065 7.442 0.623 25124 1926 1 3 . 1 1 95 95 GLN N N 95 120.057 120.057 117.075 2.982 25124 1927 1 3 . 1 1 95 95 GLN HA H 95 4.005 4.005 4.164 -0.159 25124 1928 1 3 . 1 1 95 95 GLN C C 95 177.680 177.680 177.679 0.001 25124 1929 1 3 . 1 1 95 95 GLN CA C 95 58.471 58.471 58.087 0.384 25124 1930 1 3 . 1 1 95 95 GLN CB C 95 28.334 28.334 28.568 -0.234 25124 1931 1 3 . 1 1 95 95 GLN H H 95 8.513 8.513 7.903 0.610 25124 1932 1 3 . 1 1 96 96 GLN N N 96 115.323 115.323 117.033 -1.710 25124 1933 1 3 . 1 1 96 96 GLN HA H 96 4.321 4.321 4.280 0.041 25124 1934 1 3 . 1 1 96 96 GLN C C 96 175.538 175.538 176.463 -0.925 25124 1935 1 3 . 1 1 96 96 GLN CA C 96 55.379 55.379 56.437 -1.058 25124 1936 1 3 . 1 1 96 96 GLN CB C 96 28.915 28.915 29.774 -0.859 25124 1937 1 3 . 1 1 96 96 GLN H H 96 7.774 7.774 7.959 -0.185 25124 1938 1 3 . 1 1 97 97 GLY N N 97 104.173 104.173 106.387 -2.214 25124 1939 1 3 . 1 1 97 97 GLY C C 97 175.168 175.168 173.436 1.732 25124 1940 1 3 . 1 1 97 97 GLY CA C 97 45.491 45.491 44.816 0.675 25124 1941 1 3 . 1 1 97 97 GLY H H 97 7.576 7.576 7.824 -0.248 25124 1942 1 3 . 1 1 98 98 ALA N N 98 123.484 123.484 122.294 1.190 25124 1943 1 3 . 1 1 98 98 ALA HA H 98 4.266 4.266 4.592 -0.326 25124 1944 1 3 . 1 1 98 98 ALA C C 98 176.067 176.067 176.390 -0.323 25124 1945 1 3 . 1 1 98 98 ALA CA C 98 53.008 53.008 51.629 1.379 25124 1946 1 3 . 1 1 98 98 ALA CB C 98 18.556 18.556 20.075 -1.519 25124 1947 1 3 . 1 1 98 98 ALA H H 98 8.358 8.358 7.696 0.662 25124 1948 1 3 . 1 1 99 99 PHE N N 99 123.551 123.551 120.532 3.019 25124 1949 1 3 . 1 1 99 99 PHE HA H 99 4.259 4.259 4.704 -0.445 25124 1950 1 3 . 1 1 99 99 PHE C C 99 175.432 175.432 175.638 -0.206 25124 1951 1 3 . 1 1 99 99 PHE CA C 99 60.274 60.274 60.274 0.000 25124 1952 1 3 . 1 1 99 99 PHE CB C 99 40.375 40.375 41.042 -0.667 25124 1953 1 3 . 1 1 99 99 PHE H H 99 9.477 9.477 8.337 1.140 25124 1954 1 3 . 1 1 100 100 ASP N N 100 110.678 110.678 114.368 -3.690 25124 1955 1 3 . 1 1 100 100 ASP HA H 100 4.547 4.547 5.063 -0.516 25124 1956 1 3 . 1 1 100 100 ASP C C 100 173.053 173.053 173.787 -0.734 25124 1957 1 3 . 1 1 100 100 ASP CA C 100 52.527 52.527 54.168 -1.641 25124 1958 1 3 . 1 1 100 100 ASP CB C 100 44.789 44.789 43.820 0.969 25124 1959 1 3 . 1 1 100 100 ASP H H 100 7.683 7.683 8.190 -0.507 25124 1960 1 3 . 1 1 101 101 TYR N N 101 122.174 122.174 121.584 0.590 25124 1961 1 3 . 1 1 101 101 TYR HA H 101 5.425 5.425 5.196 0.229 25124 1962 1 3 . 1 1 101 101 TYR C C 101 172.550 172.550 174.617 -2.067 25124 1963 1 3 . 1 1 101 101 TYR CA C 101 55.865 55.865 56.445 -0.580 25124 1964 1 3 . 1 1 101 101 TYR CB C 101 41.760 41.760 39.428 2.332 25124 1965 1 3 . 1 1 101 101 TYR H H 101 9.874 9.874 8.654 1.220 25124 1966 1 3 . 1 1 102 102 LEU N N 102 129.337 129.337 130.897 -1.560 25124 1967 1 3 . 1 1 102 102 LEU HA H 102 4.677 4.677 4.605 0.072 25124 1968 1 3 . 1 1 102 102 LEU CA C 102 50.418 50.418 50.962 -0.544 25124 1969 1 3 . 1 1 102 102 LEU CB C 102 45.066 45.066 42.668 2.398 25124 1970 1 3 . 1 1 102 102 LEU H H 102 8.974 8.974 7.850 1.124 25124 1971 1 3 . 1 1 103 103 PRO HA H 103 4.552 4.552 4.319 0.233 25124 1972 1 3 . 1 1 103 103 PRO C C 103 176.067 176.067 175.773 0.294 25124 1973 1 3 . 1 1 103 103 PRO CA C 103 61.951 61.951 62.249 -0.298 25124 1974 1 3 . 1 1 103 103 PRO CB C 103 31.829 31.829 32.397 -0.568 25124 1975 1 3 . 1 1 104 104 LYS N N 104 118.403 118.403 118.704 -0.301 25124 1976 1 3 . 1 1 104 104 LYS HA H 104 4.459 4.459 5.080 -0.621 25124 1977 1 3 . 1 1 104 104 LYS CA C 104 53.204 53.204 52.825 0.379 25124 1978 1 3 . 1 1 104 104 LYS CB C 104 34.500 34.500 31.842 2.658 25124 1979 1 3 . 1 1 104 104 LYS H H 104 8.013 8.013 8.216 -0.203 25124 1980 1 3 . 1 1 105 105 PRO HA H 105 4.258 4.258 4.508 -0.250 25124 1981 1 3 . 1 1 105 105 PRO C C 105 174.930 174.930 175.990 -1.060 25124 1982 1 3 . 1 1 105 105 PRO CA C 105 62.213 62.213 63.166 -0.952 25124 1983 1 3 . 1 1 105 105 PRO CB C 105 34.151 34.151 32.009 2.142 25124 1984 1 3 . 1 1 106 106 PHE N N 106 116.796 116.796 118.998 -2.202 25124 1985 1 3 . 1 1 106 106 PHE HA H 106 5.169 5.169 4.707 0.462 25124 1986 1 3 . 1 1 106 106 PHE C C 106 175.194 175.194 174.206 0.988 25124 1987 1 3 . 1 1 106 106 PHE CA C 106 53.244 53.244 55.827 -2.583 25124 1988 1 3 . 1 1 106 106 PHE CB C 106 40.477 40.477 40.999 -0.522 25124 1989 1 3 . 1 1 106 106 PHE H H 106 7.399 7.399 7.527 -0.128 25124 1990 1 3 . 1 1 107 107 ASP N N 107 122.212 122.212 122.486 -0.274 25124 1991 1 3 . 1 1 107 107 ASP HA H 107 4.823 4.823 4.944 -0.121 25124 1992 1 3 . 1 1 107 107 ASP C C 107 177.812 177.812 177.662 0.150 25124 1993 1 3 . 1 1 107 107 ASP CA C 107 53.392 53.392 52.822 0.570 25124 1994 1 3 . 1 1 107 107 ASP CB C 107 42.455 42.455 41.241 1.214 25124 1995 1 3 . 1 1 107 107 ASP H H 107 9.047 9.047 8.598 0.449 25124 1996 1 3 . 1 1 108 108 ILE N N 108 127.963 127.963 122.582 5.381 25124 1997 1 3 . 1 1 108 108 ILE HA H 108 3.949 3.949 3.922 0.027 25124 1998 1 3 . 1 1 108 108 ILE C C 108 176.226 176.226 176.958 -0.732 25124 1999 1 3 . 1 1 108 108 ILE CA C 108 63.105 63.105 64.061 -0.956 25124 2000 1 3 . 1 1 108 108 ILE CB C 108 37.665 37.665 37.197 0.468 25124 2001 1 3 . 1 1 108 108 ILE H H 108 8.898 8.898 8.361 0.537 25124 2002 1 3 . 1 1 109 109 ASP N N 109 119.804 119.804 120.762 -0.958 25124 2003 1 3 . 1 1 109 109 ASP HA H 109 4.393 4.393 4.379 0.014 25124 2004 1 3 . 1 1 109 109 ASP C C 109 179.848 179.848 178.944 0.904 25124 2005 1 3 . 1 1 109 109 ASP CA C 109 57.483 57.483 57.822 -0.339 25124 2006 1 3 . 1 1 109 109 ASP CB C 109 39.986 39.986 40.233 -0.247 25124 2007 1 3 . 1 1 109 109 ASP H H 109 8.098 8.098 8.630 -0.532 25124 2008 1 3 . 1 1 110 110 GLU N N 110 121.667 121.667 118.194 3.473 25124 2009 1 3 . 1 1 110 110 GLU HA H 110 4.085 4.085 4.342 -0.257 25124 2010 1 3 . 1 1 110 110 GLU C C 110 178.976 178.976 178.481 0.495 25124 2011 1 3 . 1 1 110 110 GLU CA C 110 58.790 58.790 57.720 1.070 25124 2012 1 3 . 1 1 110 110 GLU CB C 110 29.330 29.330 29.403 -0.073 25124 2013 1 3 . 1 1 110 110 GLU H H 110 8.059 8.059 8.243 -0.184 25124 2014 1 3 . 1 1 111 111 ALA N N 111 122.208 122.208 123.475 -1.267 25124 2015 1 3 . 1 1 111 111 ALA HA H 111 3.758 3.758 4.183 -0.425 25124 2016 1 3 . 1 1 111 111 ALA C C 111 178.605 178.605 179.505 -0.900 25124 2017 1 3 . 1 1 111 111 ALA CA C 111 55.320 55.320 55.075 0.245 25124 2018 1 3 . 1 1 111 111 ALA CB C 111 18.174 18.174 18.537 -0.363 25124 2019 1 3 . 1 1 111 111 ALA H H 111 7.903 7.903 7.578 0.325 25124 2020 1 3 . 1 1 112 112 VAL N N 112 116.429 116.429 117.908 -1.479 25124 2021 1 3 . 1 1 112 112 VAL HA H 112 3.194 3.194 3.612 -0.418 25124 2022 1 3 . 1 1 112 112 VAL C C 112 177.230 177.230 177.797 -0.567 25124 2023 1 3 . 1 1 112 112 VAL CA C 112 67.154 67.154 66.829 0.326 25124 2024 1 3 . 1 1 112 112 VAL CB C 112 31.538 31.538 31.024 0.514 25124 2025 1 3 . 1 1 112 112 VAL H H 112 8.032 8.032 8.593 -0.561 25124 2026 1 3 . 1 1 113 113 ALA N N 113 120.198 120.198 120.456 -0.258 25124 2027 1 3 . 1 1 113 113 ALA HA H 113 4.159 4.159 4.257 -0.098 25124 2028 1 3 . 1 1 113 113 ALA C C 113 180.589 180.589 179.300 1.289 25124 2029 1 3 . 1 1 113 113 ALA CA C 113 54.902 54.902 54.323 0.579 25124 2030 1 3 . 1 1 113 113 ALA CB C 113 17.980 17.980 18.688 -0.708 25124 2031 1 3 . 1 1 113 113 ALA H H 113 7.723 7.723 7.786 -0.063 25124 2032 1 3 . 1 1 114 114 LEU N N 114 120.742 120.742 120.113 0.629 25124 2033 1 3 . 1 1 114 114 LEU HA H 114 4.102 4.102 4.237 -0.135 25124 2034 1 3 . 1 1 114 114 LEU C C 114 178.605 178.605 178.220 0.385 25124 2035 1 3 . 1 1 114 114 LEU CA C 114 58.181 58.181 57.256 0.925 25124 2036 1 3 . 1 1 114 114 LEU CB C 114 42.032 42.032 42.133 -0.101 25124 2037 1 3 . 1 1 114 114 LEU H H 114 7.928 7.928 7.400 0.528 25124 2038 1 3 . 1 1 115 115 VAL N N 115 119.478 119.478 118.465 1.013 25124 2039 1 3 . 1 1 115 115 VAL HA H 115 3.250 3.250 3.549 -0.299 25124 2040 1 3 . 1 1 115 115 VAL C C 115 177.548 177.548 178.026 -0.478 25124 2041 1 3 . 1 1 115 115 VAL CA C 115 67.168 67.168 66.766 0.401 25124 2042 1 3 . 1 1 115 115 VAL CB C 115 30.760 30.760 31.146 -0.386 25124 2043 1 3 . 1 1 115 115 VAL H H 115 7.846 7.846 8.404 -0.558 25124 2044 1 3 . 1 1 116 116 GLU N N 116 117.570 117.570 116.924 0.646 25124 2045 1 3 . 1 1 116 116 GLU HA H 116 3.809 3.809 4.175 -0.366 25124 2046 1 3 . 1 1 116 116 GLU C C 116 179.557 179.557 178.892 0.665 25124 2047 1 3 . 1 1 116 116 GLU CA C 116 59.974 59.974 57.656 2.318 25124 2048 1 3 . 1 1 116 116 GLU CB C 116 29.084 29.084 28.790 0.294 25124 2049 1 3 . 1 1 116 116 GLU H H 116 8.462 8.462 7.987 0.475 25124 2050 1 3 . 1 1 117 117 ARG N N 117 120.263 120.263 120.148 0.115 25124 2051 1 3 . 1 1 117 117 ARG HA H 117 4.109 4.109 4.064 0.045 25124 2052 1 3 . 1 1 117 117 ARG C C 117 178.500 178.500 178.384 0.116 25124 2053 1 3 . 1 1 117 117 ARG CA C 117 59.411 59.411 59.604 -0.193 25124 2054 1 3 . 1 1 117 117 ARG CB C 117 30.414 30.414 30.148 0.266 25124 2055 1 3 . 1 1 117 117 ARG H H 117 8.090 8.090 7.634 0.456 25124 2056 1 3 . 1 1 118 118 ALA N N 118 122.157 122.157 119.987 2.170 25124 2057 1 3 . 1 1 118 118 ALA HA H 118 3.467 3.467 4.416 -0.949 25124 2058 1 3 . 1 1 118 118 ALA C C 118 178.632 178.632 180.027 -1.395 25124 2059 1 3 . 1 1 118 118 ALA CA C 118 54.739 54.739 54.088 0.651 25124 2060 1 3 . 1 1 118 118 ALA CB C 118 18.280 18.280 18.158 0.122 25124 2061 1 3 . 1 1 118 118 ALA H H 118 8.005 8.005 7.273 0.732 25124 2062 1 3 . 1 1 119 119 ILE N N 119 115.429 115.429 120.070 -4.641 25124 2063 1 3 . 1 1 119 119 ILE HA H 119 3.706 3.706 3.709 -0.003 25124 2064 1 3 . 1 1 119 119 ILE C C 119 177.442 177.442 178.835 -1.393 25124 2065 1 3 . 1 1 119 119 ILE CA C 119 63.910 63.910 65.060 -1.150 25124 2066 1 3 . 1 1 119 119 ILE CB C 119 37.939 37.939 37.588 0.351 25124 2067 1 3 . 1 1 119 119 ILE H H 119 7.788 7.788 7.559 0.229 25124 2068 1 3 . 1 1 120 120 SER N N 120 114.902 114.902 116.037 -1.135 25124 2069 1 3 . 1 1 120 120 SER HA H 120 4.285 4.285 4.112 0.173 25124 2070 1 3 . 1 1 120 120 SER C C 120 175.142 175.142 176.686 -1.544 25124 2071 1 3 . 1 1 120 120 SER CA C 120 59.871 59.871 62.585 -2.714 25124 2072 1 3 . 1 1 120 120 SER CB C 120 63.522 63.522 63.136 0.386 25124 2073 1 3 . 1 1 120 120 SER H H 120 7.881 7.881 8.709 -0.828 25124 2074 1 3 . 1 1 121 121 HIS N N 121 119.927 119.927 119.801 0.126 25124 2075 1 3 . 1 1 121 121 HIS HA H 121 4.439 4.439 4.249 0.190 25124 2076 1 3 . 1 1 121 121 HIS C C 121 174.957 174.957 175.883 -0.926 25124 2077 1 3 . 1 1 121 121 HIS CA C 121 57.362 57.362 58.278 -0.916 25124 2078 1 3 . 1 1 121 121 HIS CB C 121 29.496 29.496 29.438 0.058 25124 2079 1 3 . 1 1 121 121 HIS H H 121 7.960 7.960 7.973 -0.013 25124 2080 1 3 . 1 1 122 122 TYR N N 122 118.745 118.745 115.030 3.715 25124 2081 1 3 . 1 1 122 122 TYR HA H 122 4.455 4.455 4.697 -0.242 25124 2082 1 3 . 1 1 122 122 TYR C C 122 175.353 175.353 174.239 1.114 25124 2083 1 3 . 1 1 122 122 TYR CA C 122 58.528 58.528 56.491 2.037 25124 2084 1 3 . 1 1 122 122 TYR CB C 122 38.726 38.726 38.092 0.635 25124 2085 1 3 . 1 1 122 122 TYR H H 122 7.776 7.776 7.677 0.099 25124 2086 1 3 . 1 1 123 123 GLN N N 123 121.424 121.424 120.896 0.528 25124 2087 1 3 . 1 1 123 123 GLN HA H 123 4.294 4.294 4.309 -0.015 25124 2088 1 3 . 1 1 123 123 GLN C C 123 174.560 174.560 175.775 -1.215 25124 2089 1 3 . 1 1 123 123 GLN CA C 123 55.658 55.658 55.745 -0.087 25124 2090 1 3 . 1 1 123 123 GLN CB C 123 29.877 29.877 29.148 0.729 25124 2091 1 3 . 1 1 123 123 GLN H H 123 7.904 7.904 7.732 0.172 25124 2092 1 4 . 1 1 2 2 GLN HA H 2 4.453 4.453 4.577 -0.124 25124 2093 1 4 . 1 1 2 2 GLN C C 2 174.930 174.930 174.512 0.418 25124 2094 1 4 . 1 1 2 2 GLN CA C 2 55.627 55.627 55.377 0.249 25124 2095 1 4 . 1 1 2 2 GLN CB C 2 29.312 29.312 30.645 -1.333 25124 2096 1 4 . 1 1 3 3 ARG N N 3 121.349 121.349 118.901 2.448 25124 2097 1 4 . 1 1 3 3 ARG HA H 3 4.390 4.390 4.147 0.243 25124 2098 1 4 . 1 1 3 3 ARG C C 3 175.723 175.723 174.124 1.599 25124 2099 1 4 . 1 1 3 3 ARG CA C 3 56.041 56.041 56.371 -0.330 25124 2100 1 4 . 1 1 3 3 ARG CB C 3 31.395 31.395 30.291 1.104 25124 2101 1 4 . 1 1 3 3 ARG H H 3 8.451 8.451 8.412 0.039 25124 2102 1 4 . 1 1 4 4 GLY N N 4 107.889 107.889 108.042 -0.153 25124 2103 1 4 . 1 1 4 4 GLY C C 4 171.122 171.122 172.242 -1.120 25124 2104 1 4 . 1 1 4 4 GLY CA C 4 45.333 45.333 44.421 0.912 25124 2105 1 4 . 1 1 4 4 GLY H H 4 8.037 8.037 8.238 -0.201 25124 2106 1 4 . 1 1 5 5 ILE N N 5 122.674 122.674 120.662 2.012 25124 2107 1 4 . 1 1 5 5 ILE HA H 5 4.731 4.731 4.034 0.697 25124 2108 1 4 . 1 1 5 5 ILE C C 5 175.459 175.459 174.768 0.691 25124 2109 1 4 . 1 1 5 5 ILE CA C 5 60.614 60.614 62.051 -1.437 25124 2110 1 4 . 1 1 5 5 ILE CB C 5 39.535 39.535 38.487 1.048 25124 2111 1 4 . 1 1 5 5 ILE H H 5 9.605 9.605 8.297 1.308 25124 2112 1 4 . 1 1 6 6 VAL N N 6 127.532 127.532 124.709 2.823 25124 2113 1 4 . 1 1 6 6 VAL HA H 6 4.892 4.892 4.364 0.528 25124 2114 1 4 . 1 1 6 6 VAL C C 6 174.110 174.110 174.554 -0.444 25124 2115 1 4 . 1 1 6 6 VAL CA C 6 59.255 59.255 61.422 -2.167 25124 2116 1 4 . 1 1 6 6 VAL CB C 6 34.530 34.530 32.736 1.794 25124 2117 1 4 . 1 1 6 6 VAL H H 6 9.135 9.135 8.028 1.107 25124 2118 1 4 . 1 1 7 7 TRP N N 7 127.409 127.409 128.564 -1.155 25124 2119 1 4 . 1 1 7 7 TRP HA H 7 6.447 6.447 5.097 1.350 25124 2120 1 4 . 1 1 7 7 TRP C C 7 175.089 175.089 175.095 -0.006 25124 2121 1 4 . 1 1 7 7 TRP CA C 7 52.797 52.797 54.344 -1.547 25124 2122 1 4 . 1 1 7 7 TRP CB C 7 33.255 33.255 30.586 2.669 25124 2123 1 4 . 1 1 7 7 TRP H H 7 8.544 8.544 8.098 0.446 25124 2124 1 4 . 1 1 8 8 VAL N N 8 122.270 122.270 123.958 -1.688 25124 2125 1 4 . 1 1 8 8 VAL HA H 8 5.135 5.135 4.454 0.681 25124 2126 1 4 . 1 1 8 8 VAL C C 8 173.820 173.820 174.421 -0.601 25124 2127 1 4 . 1 1 8 8 VAL CA C 8 60.457 60.457 60.826 -0.369 25124 2128 1 4 . 1 1 8 8 VAL CB C 8 35.893 35.893 33.372 2.521 25124 2129 1 4 . 1 1 8 8 VAL H H 8 8.643 8.643 8.545 0.098 25124 2130 1 4 . 1 1 9 9 VAL N N 9 126.806 126.806 129.205 -2.399 25124 2131 1 4 . 1 1 9 9 VAL HA H 9 5.192 5.192 4.353 0.839 25124 2132 1 4 . 1 1 9 9 VAL C C 9 172.550 172.550 173.720 -1.170 25124 2133 1 4 . 1 1 9 9 VAL CA C 9 58.384 58.384 61.183 -2.799 25124 2134 1 4 . 1 1 9 9 VAL CB C 9 34.135 34.135 32.501 1.634 25124 2135 1 4 . 1 1 9 9 VAL H H 9 9.113 9.113 7.988 1.125 25124 2136 1 4 . 1 1 10 10 ASP N N 10 125.011 125.011 125.396 -0.385 25124 2137 1 4 . 1 1 10 10 ASP HA H 10 4.554 4.554 4.852 -0.298 25124 2138 1 4 . 1 1 10 10 ASP C C 10 174.877 174.877 174.223 0.654 25124 2139 1 4 . 1 1 10 10 ASP CA C 10 55.066 55.066 52.973 2.093 25124 2140 1 4 . 1 1 10 10 ASP CB C 10 44.131 44.131 44.151 -0.020 25124 2141 1 4 . 1 1 10 10 ASP H H 10 7.881 7.881 7.916 -0.035 25124 2142 1 4 . 1 1 11 11 ASP N N 11 124.048 124.048 120.975 3.073 25124 2143 1 4 . 1 1 11 11 ASP HA H 11 4.613 4.613 4.901 -0.288 25124 2144 1 4 . 1 1 11 11 ASP C C 11 175.089 175.089 174.729 0.360 25124 2145 1 4 . 1 1 11 11 ASP CA C 11 55.346 55.346 54.293 1.053 25124 2146 1 4 . 1 1 11 11 ASP CB C 11 39.583 39.583 41.223 -1.640 25124 2147 1 4 . 1 1 11 11 ASP H H 11 9.166 9.166 8.667 0.499 25124 2148 1 4 . 1 1 12 12 ASP N N 12 125.165 125.165 121.438 3.727 25124 2149 1 4 . 1 1 12 12 ASP HA H 12 4.757 4.757 4.714 0.043 25124 2150 1 4 . 1 1 12 12 ASP C C 12 176.993 176.993 176.293 0.700 25124 2151 1 4 . 1 1 12 12 ASP CA C 12 53.112 53.112 54.531 -1.419 25124 2152 1 4 . 1 1 12 12 ASP CB C 12 41.072 41.072 43.517 -2.445 25124 2153 1 4 . 1 1 12 12 ASP H H 12 10.290 10.290 7.712 2.578 25124 2154 1 4 . 1 1 13 13 SER N N 13 123.818 123.818 120.715 3.103 25124 2155 1 4 . 1 1 13 13 SER HA H 13 3.719 3.719 4.198 -0.479 25124 2156 1 4 . 1 1 13 13 SER C C 13 176.146 176.146 176.475 -0.329 25124 2157 1 4 . 1 1 13 13 SER CA C 13 61.341 61.341 61.403 -0.062 25124 2158 1 4 . 1 1 13 13 SER CB C 13 62.638 62.638 63.279 -0.641 25124 2159 1 4 . 1 1 13 13 SER H H 13 8.993 8.993 8.721 0.272 25124 2160 1 4 . 1 1 14 14 SER N N 14 118.714 118.714 118.204 0.510 25124 2161 1 4 . 1 1 14 14 SER HA H 14 4.322 4.322 4.382 -0.060 25124 2162 1 4 . 1 1 14 14 SER C C 14 176.411 176.411 176.398 0.013 25124 2163 1 4 . 1 1 14 14 SER CA C 14 61.717 61.717 61.072 0.645 25124 2164 1 4 . 1 1 14 14 SER CB C 14 62.554 62.554 63.004 -0.450 25124 2165 1 4 . 1 1 14 14 SER H H 14 8.499 8.499 8.379 0.120 25124 2166 1 4 . 1 1 15 15 ILE N N 15 122.822 122.822 119.855 2.967 25124 2167 1 4 . 1 1 15 15 ILE HA H 15 3.972 3.972 3.982 -0.010 25124 2168 1 4 . 1 1 15 15 ILE C C 15 177.786 177.786 177.662 0.124 25124 2169 1 4 . 1 1 15 15 ILE CA C 15 60.784 60.784 61.807 -1.023 25124 2170 1 4 . 1 1 15 15 ILE CB C 15 36.016 36.016 36.935 -0.919 25124 2171 1 4 . 1 1 15 15 ILE H H 15 7.011 7.011 7.843 -0.832 25124 2172 1 4 . 1 1 16 16 ARG N N 16 116.580 116.580 120.760 -4.180 25124 2173 1 4 . 1 1 16 16 ARG HA H 16 3.711 3.711 4.143 -0.432 25124 2174 1 4 . 1 1 16 16 ARG C C 16 177.336 177.336 178.393 -1.057 25124 2175 1 4 . 1 1 16 16 ARG CA C 16 61.632 61.632 59.564 2.068 25124 2176 1 4 . 1 1 16 16 ARG CB C 16 30.520 30.520 30.038 0.482 25124 2177 1 4 . 1 1 16 16 ARG H H 16 7.370 7.370 7.921 -0.551 25124 2178 1 4 . 1 1 17 17 TRP N N 17 116.893 116.893 121.797 -4.904 25124 2179 1 4 . 1 1 17 17 TRP HA H 17 4.481 4.481 4.327 0.154 25124 2180 1 4 . 1 1 17 17 TRP C C 17 178.394 178.394 178.010 0.384 25124 2181 1 4 . 1 1 17 17 TRP CA C 17 60.482 60.482 61.694 -1.212 25124 2182 1 4 . 1 1 17 17 TRP CB C 17 29.372 29.372 29.165 0.207 25124 2183 1 4 . 1 1 17 17 TRP H H 17 8.020 8.020 8.574 -0.554 25124 2184 1 4 . 1 1 18 18 VAL N N 18 116.799 116.799 115.593 1.206 25124 2185 1 4 . 1 1 18 18 VAL HA H 18 3.662 3.662 2.576 1.086 25124 2186 1 4 . 1 1 18 18 VAL C C 18 179.161 179.161 177.728 1.433 25124 2187 1 4 . 1 1 18 18 VAL CA C 18 65.858 65.858 65.055 0.803 25124 2188 1 4 . 1 1 18 18 VAL CB C 18 31.792 31.792 30.939 0.853 25124 2189 1 4 . 1 1 18 18 VAL H H 18 8.085 8.085 7.409 0.676 25124 2190 1 4 . 1 1 19 19 LEU N N 19 119.595 119.595 120.527 -0.932 25124 2191 1 4 . 1 1 19 19 LEU HA H 19 4.083 4.083 3.808 0.275 25124 2192 1 4 . 1 1 19 19 LEU C C 19 177.759 177.759 178.755 -0.996 25124 2193 1 4 . 1 1 19 19 LEU CA C 19 57.971 57.971 57.758 0.213 25124 2194 1 4 . 1 1 19 19 LEU CB C 19 41.863 41.863 41.564 0.299 25124 2195 1 4 . 1 1 19 19 LEU H H 19 8.035 8.035 7.251 0.784 25124 2196 1 4 . 1 1 20 20 GLU N N 20 120.318 120.318 119.295 1.023 25124 2197 1 4 . 1 1 20 20 GLU HA H 20 4.007 4.007 3.786 0.221 25124 2198 1 4 . 1 1 20 20 GLU C C 20 178.500 178.500 179.214 -0.714 25124 2199 1 4 . 1 1 20 20 GLU CA C 20 60.567 60.567 59.783 0.784 25124 2200 1 4 . 1 1 20 20 GLU CB C 20 29.073 29.073 29.514 -0.441 25124 2201 1 4 . 1 1 20 20 GLU H H 20 8.417 8.417 8.287 0.130 25124 2202 1 4 . 1 1 21 21 ARG N N 21 115.981 115.981 117.138 -1.157 25124 2203 1 4 . 1 1 21 21 ARG HA H 21 3.898 3.898 3.934 -0.036 25124 2204 1 4 . 1 1 21 21 ARG C C 21 179.769 179.769 178.049 1.720 25124 2205 1 4 . 1 1 21 21 ARG CA C 21 58.491 58.491 58.538 -0.048 25124 2206 1 4 . 1 1 21 21 ARG CB C 21 29.966 29.966 29.611 0.355 25124 2207 1 4 . 1 1 21 21 ARG H H 21 7.579 7.579 8.129 -0.550 25124 2208 1 4 . 1 1 22 22 ALA N N 22 122.267 122.267 121.563 0.704 25124 2209 1 4 . 1 1 22 22 ALA HA H 22 4.110 4.110 4.222 -0.112 25124 2210 1 4 . 1 1 22 22 ALA C C 22 180.456 180.456 179.628 0.828 25124 2211 1 4 . 1 1 22 22 ALA CA C 22 54.643 54.643 54.387 0.256 25124 2212 1 4 . 1 1 22 22 ALA CB C 22 19.225 19.225 18.752 0.473 25124 2213 1 4 . 1 1 22 22 ALA H H 22 7.933 7.933 7.617 0.316 25124 2214 1 4 . 1 1 23 23 LEU N N 23 118.139 118.139 119.968 -1.829 25124 2215 1 4 . 1 1 23 23 LEU HA H 23 4.005 4.005 3.857 0.148 25124 2216 1 4 . 1 1 23 23 LEU C C 23 178.843 178.843 179.441 -0.598 25124 2217 1 4 . 1 1 23 23 LEU CA C 23 57.765 57.765 57.905 -0.140 25124 2218 1 4 . 1 1 23 23 LEU CB C 23 39.919 39.919 41.371 -1.452 25124 2219 1 4 . 1 1 23 23 LEU H H 23 8.855 8.855 8.514 0.341 25124 2220 1 4 . 1 1 24 24 ALA N N 24 122.164 122.164 120.066 2.098 25124 2221 1 4 . 1 1 24 24 ALA HA H 24 4.665 4.665 4.047 0.618 25124 2222 1 4 . 1 1 24 24 ALA C C 24 183.206 183.206 179.475 3.731 25124 2223 1 4 . 1 1 24 24 ALA CA C 24 54.812 54.812 54.450 0.362 25124 2224 1 4 . 1 1 24 24 ALA CB C 24 17.820 17.820 18.442 -0.622 25124 2225 1 4 . 1 1 24 24 ALA H H 24 8.238 8.238 7.945 0.293 25124 2226 1 4 . 1 1 25 25 GLY N N 25 106.903 106.903 106.278 0.625 25124 2227 1 4 . 1 1 25 25 GLY C C 25 174.375 174.375 175.291 -0.916 25124 2228 1 4 . 1 1 25 25 GLY CA C 25 46.550 46.550 45.522 1.028 25124 2229 1 4 . 1 1 25 25 GLY H H 25 7.907 7.907 7.247 0.660 25124 2230 1 4 . 1 1 26 26 ALA N N 26 121.832 121.832 122.166 -0.334 25124 2231 1 4 . 1 1 26 26 ALA HA H 26 4.505 4.505 4.436 0.069 25124 2232 1 4 . 1 1 26 26 ALA CA C 26 51.585 51.585 51.902 -0.317 25124 2233 1 4 . 1 1 26 26 ALA CB C 26 18.799 18.799 19.173 -0.374 25124 2234 1 4 . 1 1 26 26 ALA H H 26 7.316 7.316 8.047 -0.731 25124 2235 1 4 . 1 1 27 27 GLY N N 27 106.146 106.146 106.454 -0.308 25124 2236 1 4 . 1 1 27 27 GLY C C 27 174.057 174.057 174.270 -0.213 25124 2237 1 4 . 1 1 27 27 GLY CA C 27 45.333 45.333 45.136 0.197 25124 2238 1 4 . 1 1 27 27 GLY H H 27 7.868 7.868 7.951 -0.083 25124 2239 1 4 . 1 1 28 28 LEU N N 28 120.273 120.273 120.647 -0.374 25124 2240 1 4 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.213 0.362 25124 2241 1 4 . 1 1 28 28 LEU C C 28 175.988 175.988 177.303 -1.315 25124 2242 1 4 . 1 1 28 28 LEU CA C 28 53.881 53.881 54.819 -0.938 25124 2243 1 4 . 1 1 28 28 LEU CB C 28 42.540 42.540 41.980 0.561 25124 2244 1 4 . 1 1 28 28 LEU H H 28 7.659 7.659 7.563 0.096 25124 2245 1 4 . 1 1 29 29 THR N N 29 118.173 118.173 118.477 -0.304 25124 2246 1 4 . 1 1 29 29 THR HA H 29 4.346 4.346 4.219 0.127 25124 2247 1 4 . 1 1 29 29 THR C C 29 173.344 173.344 173.805 -0.461 25124 2248 1 4 . 1 1 29 29 THR CA C 29 62.598 62.598 63.419 -0.820 25124 2249 1 4 . 1 1 29 29 THR CB C 29 69.423 69.423 69.043 0.380 25124 2250 1 4 . 1 1 29 29 THR H H 29 8.562 8.562 8.269 0.293 25124 2251 1 4 . 1 1 30 30 CYS N N 30 128.450 128.450 127.647 0.803 25124 2252 1 4 . 1 1 30 30 CYS HA H 30 6.012 6.012 4.749 1.263 25124 2253 1 4 . 1 1 30 30 CYS C C 30 173.978 173.978 174.011 -0.033 25124 2254 1 4 . 1 1 30 30 CYS CA C 30 56.424 56.424 57.572 -1.148 25124 2255 1 4 . 1 1 30 30 CYS CB C 30 29.615 29.615 28.714 0.901 25124 2256 1 4 . 1 1 30 30 CYS H H 30 9.035 9.035 8.645 0.390 25124 2257 1 4 . 1 1 31 31 THR N N 31 126.377 126.377 125.204 1.173 25124 2258 1 4 . 1 1 31 31 THR HA H 31 4.442 4.442 4.583 -0.141 25124 2259 1 4 . 1 1 31 31 THR C C 31 172.683 172.683 172.688 -0.005 25124 2260 1 4 . 1 1 31 31 THR CA C 31 61.956 61.956 61.425 0.531 25124 2261 1 4 . 1 1 31 31 THR CB C 31 70.624 70.624 71.979 -1.355 25124 2262 1 4 . 1 1 31 31 THR H H 31 8.510 8.510 8.513 -0.003 25124 2263 1 4 . 1 1 32 32 THR N N 32 115.988 115.988 112.606 3.382 25124 2264 1 4 . 1 1 32 32 THR HA H 32 5.454 5.454 4.708 0.746 25124 2265 1 4 . 1 1 32 32 THR C C 32 172.259 172.259 171.617 0.642 25124 2266 1 4 . 1 1 32 32 THR CA C 32 59.101 59.101 60.192 -1.091 25124 2267 1 4 . 1 1 32 32 THR CB C 32 71.173 71.173 70.958 0.215 25124 2268 1 4 . 1 1 32 32 THR H H 32 8.301 8.301 7.775 0.526 25124 2269 1 4 . 1 1 33 33 PHE N N 33 117.690 117.690 118.919 -1.229 25124 2270 1 4 . 1 1 33 33 PHE HA H 33 4.723 4.723 4.701 0.022 25124 2271 1 4 . 1 1 33 33 PHE C C 33 174.507 174.507 174.943 -0.436 25124 2272 1 4 . 1 1 33 33 PHE CA C 33 56.504 56.504 58.602 -2.098 25124 2273 1 4 . 1 1 33 33 PHE CB C 33 43.589 43.589 40.835 2.754 25124 2274 1 4 . 1 1 33 33 PHE H H 33 8.834 8.834 8.404 0.430 25124 2275 1 4 . 1 1 34 34 GLU N N 34 118.296 118.296 114.924 3.372 25124 2276 1 4 . 1 1 34 34 GLU HA H 34 4.451 4.451 4.316 0.135 25124 2277 1 4 . 1 1 34 34 GLU C C 34 174.957 174.957 174.129 0.828 25124 2278 1 4 . 1 1 34 34 GLU CA C 34 56.661 56.661 56.932 -0.271 25124 2279 1 4 . 1 1 34 34 GLU CB C 34 31.792 31.792 31.501 0.291 25124 2280 1 4 . 1 1 34 34 GLU H H 34 9.096 9.096 8.208 0.888 25124 2281 1 4 . 1 1 35 35 ASN N N 35 108.486 108.486 114.503 -6.017 25124 2282 1 4 . 1 1 35 35 ASN HA H 35 4.960 4.960 4.990 -0.030 25124 2283 1 4 . 1 1 35 35 ASN C C 35 175.353 175.353 176.709 -1.356 25124 2284 1 4 . 1 1 35 35 ASN CA C 35 52.364 52.364 51.386 0.978 25124 2285 1 4 . 1 1 35 35 ASN CB C 35 40.932 40.932 40.752 0.180 25124 2286 1 4 . 1 1 35 35 ASN H H 35 7.286 7.286 7.735 -0.449 25124 2287 1 4 . 1 1 36 36 GLY N N 36 105.329 105.329 108.009 -2.680 25124 2288 1 4 . 1 1 36 36 GLY C C 36 174.586 174.586 175.637 -1.051 25124 2289 1 4 . 1 1 36 36 GLY CA C 36 47.533 47.533 47.351 0.182 25124 2290 1 4 . 1 1 36 36 GLY H H 36 9.369 9.369 8.931 0.438 25124 2291 1 4 . 1 1 37 37 ASN N N 37 120.396 120.396 118.031 2.365 25124 2292 1 4 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.327 0.035 25124 2293 1 4 . 1 1 37 37 ASN C C 37 178.791 178.791 177.425 1.366 25124 2294 1 4 . 1 1 37 37 ASN CA C 37 56.843 56.843 55.893 0.950 25124 2295 1 4 . 1 1 37 37 ASN CB C 37 37.716 37.716 38.063 -0.347 25124 2296 1 4 . 1 1 37 37 ASN H H 37 8.440 8.440 8.288 0.152 25124 2297 1 4 . 1 1 38 38 GLU N N 38 119.334 119.334 119.200 0.134 25124 2298 1 4 . 1 1 38 38 GLU HA H 38 4.058 4.058 3.914 0.144 25124 2299 1 4 . 1 1 38 38 GLU C C 38 179.372 179.372 178.894 0.478 25124 2300 1 4 . 1 1 38 38 GLU CA C 38 58.790 58.790 59.035 -0.245 25124 2301 1 4 . 1 1 38 38 GLU CB C 38 30.692 30.692 29.628 1.065 25124 2302 1 4 . 1 1 38 38 GLU H H 38 8.063 8.063 8.124 -0.061 25124 2303 1 4 . 1 1 39 39 VAL N N 39 119.047 119.047 120.082 -1.035 25124 2304 1 4 . 1 1 39 39 VAL HA H 39 2.599 2.599 2.661 -0.062 25124 2305 1 4 . 1 1 39 39 VAL C C 39 176.807 176.807 177.717 -0.910 25124 2306 1 4 . 1 1 39 39 VAL CA C 39 65.222 65.222 65.635 -0.413 25124 2307 1 4 . 1 1 39 39 VAL CB C 39 31.078 31.078 31.347 -0.269 25124 2308 1 4 . 1 1 39 39 VAL H H 39 6.844 6.844 7.299 -0.455 25124 2309 1 4 . 1 1 40 40 LEU N N 40 118.385 118.385 119.323 -0.938 25124 2310 1 4 . 1 1 40 40 LEU HA H 40 3.929 3.929 3.908 0.021 25124 2311 1 4 . 1 1 40 40 LEU C C 40 179.584 179.584 178.667 0.917 25124 2312 1 4 . 1 1 40 40 LEU CA C 40 57.943 57.943 57.958 -0.015 25124 2313 1 4 . 1 1 40 40 LEU CB C 40 40.932 40.932 40.592 0.340 25124 2314 1 4 . 1 1 40 40 LEU H H 40 7.715 7.715 7.466 0.248 25124 2315 1 4 . 1 1 41 41 ALA N N 41 120.091 120.091 120.578 -0.487 25124 2316 1 4 . 1 1 41 41 ALA HA H 41 4.158 4.158 3.874 0.284 25124 2317 1 4 . 1 1 41 41 ALA C C 41 180.562 180.562 179.222 1.340 25124 2318 1 4 . 1 1 41 41 ALA CA C 41 54.717 54.717 55.002 -0.285 25124 2319 1 4 . 1 1 41 41 ALA CB C 41 17.853 17.853 17.800 0.053 25124 2320 1 4 . 1 1 41 41 ALA H H 41 7.671 7.671 7.745 -0.074 25124 2321 1 4 . 1 1 42 42 ALA N N 42 122.650 122.650 120.311 2.339 25124 2322 1 4 . 1 1 42 42 ALA HA H 42 4.221 4.221 4.225 -0.004 25124 2323 1 4 . 1 1 42 42 ALA C C 42 180.166 180.166 179.600 0.566 25124 2324 1 4 . 1 1 42 42 ALA CA C 42 54.974 54.974 53.761 1.213 25124 2325 1 4 . 1 1 42 42 ALA CB C 42 19.488 19.488 18.314 1.174 25124 2326 1 4 . 1 1 42 42 ALA H H 42 7.573 7.573 7.025 0.548 25124 2327 1 4 . 1 1 43 43 LEU N N 43 119.321 119.321 120.460 -1.139 25124 2328 1 4 . 1 1 43 43 LEU HA H 43 5.260 5.260 4.520 0.740 25124 2329 1 4 . 1 1 43 43 LEU C C 43 177.389 177.389 179.171 -1.782 25124 2330 1 4 . 1 1 43 43 LEU CA C 43 55.446 55.446 57.982 -2.536 25124 2331 1 4 . 1 1 43 43 LEU CB C 43 42.879 42.879 42.103 0.776 25124 2332 1 4 . 1 1 43 43 LEU H H 43 8.289 8.289 8.277 0.012 25124 2333 1 4 . 1 1 44 44 ALA N N 44 118.995 118.995 118.492 0.503 25124 2334 1 4 . 1 1 44 44 ALA HA H 44 4.232 4.232 4.005 0.227 25124 2335 1 4 . 1 1 44 44 ALA C C 44 178.738 178.738 179.882 -1.144 25124 2336 1 4 . 1 1 44 44 ALA CA C 44 54.353 54.353 54.703 -0.350 25124 2337 1 4 . 1 1 44 44 ALA CB C 44 18.674 18.674 18.838 -0.164 25124 2338 1 4 . 1 1 44 44 ALA H H 44 7.307 7.307 7.861 -0.554 25124 2339 1 4 . 1 1 45 45 SER N N 45 108.530 108.530 112.592 -4.062 25124 2340 1 4 . 1 1 45 45 SER HA H 45 4.761 4.761 4.337 0.424 25124 2341 1 4 . 1 1 45 45 SER C C 45 173.344 173.344 175.513 -2.169 25124 2342 1 4 . 1 1 45 45 SER CA C 45 58.682 58.682 60.667 -1.985 25124 2343 1 4 . 1 1 45 45 SER CB C 45 65.446 65.446 63.934 1.512 25124 2344 1 4 . 1 1 45 45 SER H H 45 7.772 7.772 7.893 -0.121 25124 2345 1 4 . 1 1 46 46 LYS N N 46 122.965 122.965 118.936 4.029 25124 2346 1 4 . 1 1 46 46 LYS HA H 46 4.608 4.608 4.633 -0.025 25124 2347 1 4 . 1 1 46 46 LYS C C 46 172.815 172.815 174.120 -1.305 25124 2348 1 4 . 1 1 46 46 LYS CA C 46 55.601 55.601 55.897 -0.296 25124 2349 1 4 . 1 1 46 46 LYS CB C 46 36.399 36.399 35.807 0.592 25124 2350 1 4 . 1 1 46 46 LYS H H 46 8.096 8.096 8.632 -0.536 25124 2351 1 4 . 1 1 47 47 THR N N 47 111.524 111.524 113.570 -2.046 25124 2352 1 4 . 1 1 47 47 THR HA H 47 4.307 4.307 4.505 -0.198 25124 2353 1 4 . 1 1 47 47 THR CA C 47 57.896 57.896 58.175 -0.279 25124 2354 1 4 . 1 1 47 47 THR CB C 47 70.570 70.570 69.557 1.013 25124 2355 1 4 . 1 1 47 47 THR H H 47 7.708 7.708 8.184 -0.476 25124 2356 1 4 . 1 1 48 48 PRO HA H 48 3.944 3.944 4.127 -0.183 25124 2357 1 4 . 1 1 48 48 PRO C C 48 173.079 173.079 175.868 -2.789 25124 2358 1 4 . 1 1 48 48 PRO CA C 48 60.922 60.922 62.142 -1.220 25124 2359 1 4 . 1 1 48 48 PRO CB C 48 30.353 30.353 32.135 -1.782 25124 2360 1 4 . 1 1 49 49 ASP N N 49 115.001 115.001 118.508 -3.507 25124 2361 1 4 . 1 1 49 49 ASP HA H 49 4.460 4.460 4.606 -0.146 25124 2362 1 4 . 1 1 49 49 ASP C C 49 175.591 175.591 175.374 0.217 25124 2363 1 4 . 1 1 49 49 ASP CA C 49 56.504 56.504 54.822 1.682 25124 2364 1 4 . 1 1 49 49 ASP CB C 49 42.625 42.625 42.455 0.171 25124 2365 1 4 . 1 1 49 49 ASP H H 49 8.535 8.535 8.221 0.314 25124 2366 1 4 . 1 1 50 50 VAL N N 50 111.832 111.832 114.725 -2.893 25124 2367 1 4 . 1 1 50 50 VAL HA H 50 4.316 4.316 4.503 -0.187 25124 2368 1 4 . 1 1 50 50 VAL C C 50 171.572 171.572 173.093 -1.521 25124 2369 1 4 . 1 1 50 50 VAL CA C 50 60.398 60.398 60.839 -0.441 25124 2370 1 4 . 1 1 50 50 VAL CB C 50 34.650 34.650 34.191 0.459 25124 2371 1 4 . 1 1 50 50 VAL H H 50 7.194 7.194 7.349 -0.155 25124 2372 1 4 . 1 1 51 51 LEU N N 51 127.785 127.785 124.296 3.489 25124 2373 1 4 . 1 1 51 51 LEU HA H 51 5.376 5.376 5.318 0.058 25124 2374 1 4 . 1 1 51 51 LEU C C 51 173.264 173.264 174.291 -1.027 25124 2375 1 4 . 1 1 51 51 LEU CA C 51 53.137 53.137 54.098 -0.961 25124 2376 1 4 . 1 1 51 51 LEU CB C 51 46.680 46.680 46.302 0.378 25124 2377 1 4 . 1 1 51 51 LEU H H 51 8.049 8.049 8.341 -0.292 25124 2378 1 4 . 1 1 52 52 LEU N N 52 128.943 128.943 125.070 3.873 25124 2379 1 4 . 1 1 52 52 LEU HA H 52 5.312 5.312 5.385 -0.073 25124 2380 1 4 . 1 1 52 52 LEU C C 52 174.692 174.692 176.779 -2.087 25124 2381 1 4 . 1 1 52 52 LEU CA C 52 54.313 54.313 53.613 0.700 25124 2382 1 4 . 1 1 52 52 LEU CB C 52 43.961 43.961 42.090 1.871 25124 2383 1 4 . 1 1 52 52 LEU H H 52 9.278 9.278 7.996 1.282 25124 2384 1 4 . 1 1 53 53 SER N N 53 116.717 116.717 118.652 -1.935 25124 2385 1 4 . 1 1 53 53 SER HA H 53 5.395 5.395 4.617 0.778 25124 2386 1 4 . 1 1 53 53 SER C C 53 173.608 173.608 173.090 0.518 25124 2387 1 4 . 1 1 53 53 SER CA C 53 56.226 56.226 57.747 -1.521 25124 2388 1 4 . 1 1 53 53 SER CB C 53 65.753 65.753 64.879 0.874 25124 2389 1 4 . 1 1 53 53 SER H H 53 9.256 9.256 7.914 1.342 25124 2390 1 4 . 1 1 54 54 ASP N N 54 127.909 127.909 120.120 7.789 25124 2391 1 4 . 1 1 54 54 ASP HA H 54 5.622 5.622 5.437 0.185 25124 2392 1 4 . 1 1 54 54 ASP C C 54 175.723 175.723 175.509 0.214 25124 2393 1 4 . 1 1 54 54 ASP CA C 54 53.268 53.268 52.335 0.933 25124 2394 1 4 . 1 1 54 54 ASP CB C 54 44.386 44.386 43.778 0.609 25124 2395 1 4 . 1 1 54 54 ASP H H 54 8.219 8.219 8.456 -0.237 25124 2396 1 4 . 1 1 55 55 ILE N N 55 117.015 117.015 119.094 -2.079 25124 2397 1 4 . 1 1 55 55 ILE HA H 55 4.116 4.116 4.507 -0.391 25124 2398 1 4 . 1 1 55 55 ILE C C 55 176.913 176.913 174.166 2.747 25124 2399 1 4 . 1 1 55 55 ILE CA C 55 65.290 65.290 58.918 6.372 25124 2400 1 4 . 1 1 55 55 ILE CB C 55 38.487 38.487 36.337 2.150 25124 2401 1 4 . 1 1 55 55 ILE H H 55 7.812 7.812 8.227 -0.415 25124 2402 1 4 . 1 1 56 56 ARG N N 56 117.365 117.365 120.459 -3.094 25124 2403 1 4 . 1 1 56 56 ARG HA H 56 4.379 4.379 4.492 -0.113 25124 2404 1 4 . 1 1 56 56 ARG C C 56 172.788 172.788 173.960 -1.172 25124 2405 1 4 . 1 1 56 56 ARG CA C 56 57.034 57.034 56.432 0.602 25124 2406 1 4 . 1 1 56 56 ARG CB C 56 27.600 27.600 29.912 -2.312 25124 2407 1 4 . 1 1 56 56 ARG H H 56 8.991 8.991 7.525 1.466 25124 2408 1 4 . 1 1 57 57 MET N N 57 129.539 129.539 117.087 12.452 25124 2409 1 4 . 1 1 57 57 MET HA H 57 4.767 4.767 4.988 -0.221 25124 2410 1 4 . 1 1 57 57 MET CA C 57 53.641 53.641 52.220 1.421 25124 2411 1 4 . 1 1 57 57 MET CB C 57 36.484 36.484 34.286 2.198 25124 2412 1 4 . 1 1 57 57 MET H H 57 7.501 7.501 7.602 -0.101 25124 2413 1 4 . 1 1 58 58 PRO HA H 58 4.379 4.379 4.514 -0.135 25124 2414 1 4 . 1 1 58 58 PRO C C 58 177.495 177.495 175.577 1.918 25124 2415 1 4 . 1 1 58 58 PRO CA C 58 63.104 63.104 63.508 -0.404 25124 2416 1 4 . 1 1 58 58 PRO CB C 58 31.922 31.922 29.962 1.960 25124 2417 1 4 . 1 1 59 59 GLY N N 59 112.312 112.312 109.916 2.396 25124 2418 1 4 . 1 1 59 59 GLY C C 59 173.793 173.793 173.214 0.579 25124 2419 1 4 . 1 1 59 59 GLY CA C 59 46.430 46.430 45.703 0.727 25124 2420 1 4 . 1 1 59 59 GLY H H 59 8.656 8.656 8.714 -0.058 25124 2421 1 4 . 1 1 60 60 MET N N 60 124.343 124.343 119.367 4.976 25124 2422 1 4 . 1 1 60 60 MET HA H 60 4.344 4.344 4.587 -0.243 25124 2423 1 4 . 1 1 60 60 MET C C 60 174.190 174.190 174.358 -0.168 25124 2424 1 4 . 1 1 60 60 MET CA C 60 55.871 55.871 56.357 -0.486 25124 2425 1 4 . 1 1 60 60 MET CB C 60 34.955 34.955 33.614 1.341 25124 2426 1 4 . 1 1 60 60 MET H H 60 7.778 7.778 8.175 -0.397 25124 2427 1 4 . 1 1 61 61 ASP N N 61 124.993 124.993 116.110 8.883 25124 2428 1 4 . 1 1 61 61 ASP HA H 61 4.870 4.870 4.723 0.147 25124 2429 1 4 . 1 1 61 61 ASP C C 61 176.966 176.966 175.257 1.709 25124 2430 1 4 . 1 1 61 61 ASP CA C 61 53.490 53.490 53.684 -0.193 25124 2431 1 4 . 1 1 61 61 ASP CB C 61 42.347 42.347 41.645 0.702 25124 2432 1 4 . 1 1 61 61 ASP H H 61 8.378 8.378 7.515 0.863 25124 2433 1 4 . 1 1 62 62 GLY N N 62 105.163 105.163 105.711 -0.548 25124 2434 1 4 . 1 1 62 62 GLY C C 62 175.935 175.935 175.672 0.263 25124 2435 1 4 . 1 1 62 62 GLY CA C 62 46.755 46.755 45.193 1.562 25124 2436 1 4 . 1 1 62 62 GLY H H 62 10.153 10.153 8.666 1.487 25124 2437 1 4 . 1 1 63 63 LEU N N 63 120.509 120.509 123.276 -2.767 25124 2438 1 4 . 1 1 63 63 LEU HA H 63 4.293 4.293 4.065 0.228 25124 2439 1 4 . 1 1 63 63 LEU C C 63 179.293 179.293 178.373 0.920 25124 2440 1 4 . 1 1 63 63 LEU CA C 63 57.148 57.148 57.546 -0.398 25124 2441 1 4 . 1 1 63 63 LEU CB C 63 40.053 40.053 41.789 -1.736 25124 2442 1 4 . 1 1 63 63 LEU H H 63 8.119 8.119 7.883 0.236 25124 2443 1 4 . 1 1 64 64 ALA N N 64 126.234 126.234 121.326 4.908 25124 2444 1 4 . 1 1 64 64 ALA HA H 64 4.112 4.112 4.059 0.053 25124 2445 1 4 . 1 1 64 64 ALA C C 64 181.223 181.223 178.822 2.401 25124 2446 1 4 . 1 1 64 64 ALA CA C 64 54.802 54.802 54.922 -0.120 25124 2447 1 4 . 1 1 64 64 ALA CB C 64 18.133 18.133 18.259 -0.126 25124 2448 1 4 . 1 1 64 64 ALA H H 64 8.303 8.303 7.742 0.561 25124 2449 1 4 . 1 1 65 65 LEU N N 65 120.067 120.067 117.915 2.152 25124 2450 1 4 . 1 1 65 65 LEU HA H 65 4.044 4.044 4.224 -0.180 25124 2451 1 4 . 1 1 65 65 LEU C C 65 177.548 177.548 178.404 -0.856 25124 2452 1 4 . 1 1 65 65 LEU CA C 65 58.197 58.197 56.842 1.355 25124 2453 1 4 . 1 1 65 65 LEU CB C 65 41.727 41.727 42.442 -0.715 25124 2454 1 4 . 1 1 65 65 LEU H H 65 8.398 8.398 7.184 1.214 25124 2455 1 4 . 1 1 66 66 LEU N N 66 120.890 120.890 120.465 0.425 25124 2456 1 4 . 1 1 66 66 LEU HA H 66 3.848 3.848 4.020 -0.172 25124 2457 1 4 . 1 1 66 66 LEU C C 66 177.230 177.230 178.619 -1.389 25124 2458 1 4 . 1 1 66 66 LEU CA C 66 58.736 58.736 57.680 1.056 25124 2459 1 4 . 1 1 66 66 LEU CB C 66 41.803 41.803 41.762 0.041 25124 2460 1 4 . 1 1 66 66 LEU H H 66 8.203 8.203 8.280 -0.077 25124 2461 1 4 . 1 1 67 67 LYS N N 67 116.919 116.919 117.428 -0.509 25124 2462 1 4 . 1 1 67 67 LYS HA H 67 4.004 4.004 3.975 0.029 25124 2463 1 4 . 1 1 67 67 LYS C C 67 179.452 179.452 179.043 0.409 25124 2464 1 4 . 1 1 67 67 LYS CA C 67 59.733 59.733 59.199 0.534 25124 2465 1 4 . 1 1 67 67 LYS CB C 67 32.415 32.415 32.027 0.388 25124 2466 1 4 . 1 1 67 67 LYS H H 67 7.667 7.667 8.274 -0.607 25124 2467 1 4 . 1 1 68 68 GLN N N 68 116.851 116.851 118.897 -2.046 25124 2468 1 4 . 1 1 68 68 GLN HA H 68 4.046 4.046 4.134 -0.088 25124 2469 1 4 . 1 1 68 68 GLN C C 68 179.319 179.319 178.207 1.112 25124 2470 1 4 . 1 1 68 68 GLN CA C 68 58.820 58.820 58.809 0.011 25124 2471 1 4 . 1 1 68 68 GLN CB C 68 28.660 28.660 29.566 -0.906 25124 2472 1 4 . 1 1 68 68 GLN H H 68 7.677 7.677 7.507 0.170 25124 2473 1 4 . 1 1 69 69 ILE N N 69 120.670 120.670 115.572 5.098 25124 2474 1 4 . 1 1 69 69 ILE HA H 69 3.564 3.564 3.917 -0.353 25124 2475 1 4 . 1 1 69 69 ILE C C 69 177.786 177.786 177.635 0.151 25124 2476 1 4 . 1 1 69 69 ILE CA C 69 65.381 65.381 64.180 1.201 25124 2477 1 4 . 1 1 69 69 ILE CB C 69 37.186 37.186 37.438 -0.251 25124 2478 1 4 . 1 1 69 69 ILE H H 69 8.918 8.918 7.516 1.402 25124 2479 1 4 . 1 1 70 70 LYS N N 70 118.002 118.002 117.624 0.378 25124 2480 1 4 . 1 1 70 70 LYS HA H 70 3.936 3.936 4.182 -0.246 25124 2481 1 4 . 1 1 70 70 LYS C C 70 177.944 177.944 178.235 -0.291 25124 2482 1 4 . 1 1 70 70 LYS CA C 70 57.351 57.351 57.675 -0.324 25124 2483 1 4 . 1 1 70 70 LYS CB C 70 31.440 31.440 32.253 -0.813 25124 2484 1 4 . 1 1 70 70 LYS H H 70 8.592 8.592 7.863 0.729 25124 2485 1 4 . 1 1 71 71 GLN N N 71 114.891 114.891 117.918 -3.027 25124 2486 1 4 . 1 1 71 71 GLN HA H 71 4.063 4.063 4.209 -0.146 25124 2487 1 4 . 1 1 71 71 GLN C C 71 177.019 177.019 178.237 -1.218 25124 2488 1 4 . 1 1 71 71 GLN CA C 71 58.007 58.007 57.424 0.583 25124 2489 1 4 . 1 1 71 71 GLN CB C 71 29.168 29.168 29.572 -0.404 25124 2490 1 4 . 1 1 71 71 GLN H H 71 7.266 7.266 7.473 -0.207 25124 2491 1 4 . 1 1 72 72 ARG N N 72 116.364 116.364 119.299 -2.935 25124 2492 1 4 . 1 1 72 72 ARG HA H 72 4.130 4.130 3.945 0.185 25124 2493 1 4 . 1 1 72 72 ARG C C 72 175.803 175.803 175.593 0.210 25124 2494 1 4 . 1 1 72 72 ARG CA C 72 57.174 57.174 58.238 -1.064 25124 2495 1 4 . 1 1 72 72 ARG CB C 72 32.638 32.638 30.466 2.172 25124 2496 1 4 . 1 1 72 72 ARG H H 72 7.254 7.254 8.169 -0.915 25124 2497 1 4 . 1 1 73 73 HIS N N 73 116.981 116.981 109.759 7.222 25124 2498 1 4 . 1 1 73 73 HIS HA H 73 4.994 4.994 4.879 0.115 25124 2499 1 4 . 1 1 73 73 HIS CA C 73 53.252 53.252 53.217 0.035 25124 2500 1 4 . 1 1 73 73 HIS CB C 73 31.026 31.026 29.658 1.368 25124 2501 1 4 . 1 1 73 73 HIS H H 73 8.828 8.828 7.208 1.620 25124 2502 1 4 . 1 1 74 74 PRO HA H 74 4.435 4.435 4.550 -0.115 25124 2503 1 4 . 1 1 74 74 PRO C C 74 178.156 178.156 177.266 0.890 25124 2504 1 4 . 1 1 74 74 PRO CA C 74 65.284 65.284 64.072 1.212 25124 2505 1 4 . 1 1 74 74 PRO CB C 74 32.130 32.130 32.027 0.103 25124 2506 1 4 . 1 1 75 75 MET N N 75 114.676 114.676 116.482 -1.806 25124 2507 1 4 . 1 1 75 75 MET HA H 75 4.587 4.587 4.452 0.135 25124 2508 1 4 . 1 1 75 75 MET C C 75 176.067 176.067 175.693 0.374 25124 2509 1 4 . 1 1 75 75 MET CA C 75 54.304 54.304 55.853 -1.549 25124 2510 1 4 . 1 1 75 75 MET CB C 75 31.623 31.623 32.397 -0.774 25124 2511 1 4 . 1 1 75 75 MET H H 75 8.648 8.648 8.016 0.632 25124 2512 1 4 . 1 1 76 76 LEU N N 76 125.720 125.720 122.690 3.030 25124 2513 1 4 . 1 1 76 76 LEU HA H 76 4.293 4.293 4.451 -0.158 25124 2514 1 4 . 1 1 76 76 LEU CA C 76 53.472 53.472 52.052 1.420 25124 2515 1 4 . 1 1 76 76 LEU CB C 76 43.540 43.540 43.231 0.309 25124 2516 1 4 . 1 1 76 76 LEU H H 76 7.342 7.342 7.370 -0.028 25124 2517 1 4 . 1 1 77 77 PRO HA H 77 4.440 4.440 4.457 -0.017 25124 2518 1 4 . 1 1 77 77 PRO C C 77 175.062 175.062 175.017 0.045 25124 2519 1 4 . 1 1 77 77 PRO CA C 77 62.841 62.841 62.707 0.134 25124 2520 1 4 . 1 1 77 77 PRO CB C 77 31.903 31.903 31.615 0.288 25124 2521 1 4 . 1 1 78 78 VAL N N 78 123.116 123.116 122.774 0.342 25124 2522 1 4 . 1 1 78 78 VAL HA H 78 5.093 5.093 4.407 0.686 25124 2523 1 4 . 1 1 78 78 VAL C C 78 175.776 175.776 174.538 1.238 25124 2524 1 4 . 1 1 78 78 VAL CA C 78 60.083 60.083 61.026 -0.943 25124 2525 1 4 . 1 1 78 78 VAL CB C 78 34.245 34.245 35.391 -1.146 25124 2526 1 4 . 1 1 78 78 VAL H H 78 8.369 8.369 8.520 -0.151 25124 2527 1 4 . 1 1 79 79 ILE N N 79 129.166 129.166 123.012 6.154 25124 2528 1 4 . 1 1 79 79 ILE HA H 79 4.499 4.499 4.546 -0.047 25124 2529 1 4 . 1 1 79 79 ILE C C 79 174.295 174.295 175.207 -0.912 25124 2530 1 4 . 1 1 79 79 ILE CA C 79 60.030 60.030 60.138 -0.108 25124 2531 1 4 . 1 1 79 79 ILE CB C 79 40.222 40.222 40.965 -0.743 25124 2532 1 4 . 1 1 79 79 ILE H H 79 9.436 9.436 8.060 1.376 25124 2533 1 4 . 1 1 80 80 ILE N N 80 128.234 128.234 125.992 2.242 25124 2534 1 4 . 1 1 80 80 ILE HA H 80 5.253 5.253 4.371 0.882 25124 2535 1 4 . 1 1 80 80 ILE C C 80 173.449 173.449 174.846 -1.397 25124 2536 1 4 . 1 1 80 80 ILE CA C 80 56.265 56.265 59.755 -3.490 25124 2537 1 4 . 1 1 80 80 ILE CB C 80 38.176 38.176 37.964 0.212 25124 2538 1 4 . 1 1 80 80 ILE H H 80 7.920 7.920 8.177 -0.257 25124 2539 1 4 . 1 1 81 81 MET N N 81 124.079 124.079 127.866 -3.787 25124 2540 1 4 . 1 1 81 81 MET HA H 81 5.489 5.489 4.625 0.864 25124 2541 1 4 . 1 1 81 81 MET C C 81 173.820 173.820 173.758 0.062 25124 2542 1 4 . 1 1 81 81 MET CA C 81 52.889 52.889 54.988 -2.099 25124 2543 1 4 . 1 1 81 81 MET CB C 81 36.663 36.663 35.115 1.548 25124 2544 1 4 . 1 1 81 81 MET H H 81 9.028 9.028 8.279 0.749 25124 2545 1 4 . 1 1 82 82 THR N N 82 108.434 108.434 118.285 -9.851 25124 2546 1 4 . 1 1 82 82 THR HA H 82 5.134 5.134 4.517 0.617 25124 2547 1 4 . 1 1 82 82 THR C C 82 172.550 172.550 172.027 0.523 25124 2548 1 4 . 1 1 82 82 THR CA C 82 60.642 60.642 61.077 -0.435 25124 2549 1 4 . 1 1 82 82 THR CB C 82 68.843 68.843 70.724 -1.881 25124 2550 1 4 . 1 1 82 82 THR H H 82 7.098 7.098 8.108 -1.010 25124 2551 1 4 . 1 1 83 83 ALA N N 83 128.991 128.991 122.936 6.055 25124 2552 1 4 . 1 1 83 83 ALA HA H 83 4.678 4.678 4.659 0.019 25124 2553 1 4 . 1 1 83 83 ALA C C 83 177.812 177.812 177.197 0.615 25124 2554 1 4 . 1 1 83 83 ALA CA C 83 52.457 52.457 50.415 2.042 25124 2555 1 4 . 1 1 83 83 ALA CB C 83 19.396 19.396 20.593 -1.198 25124 2556 1 4 . 1 1 83 83 ALA H H 83 8.590 8.590 8.257 0.333 25124 2557 1 4 . 1 1 84 84 HIS N N 84 121.904 121.904 113.472 8.432 25124 2558 1 4 . 1 1 84 84 HIS HA H 84 4.576 4.576 4.333 0.243 25124 2559 1 4 . 1 1 84 84 HIS C C 84 175.512 175.512 176.233 -0.721 25124 2560 1 4 . 1 1 84 84 HIS CA C 84 56.674 56.674 57.649 -0.975 25124 2561 1 4 . 1 1 84 84 HIS CB C 84 29.589 29.589 29.634 -0.044 25124 2562 1 4 . 1 1 84 84 HIS H H 84 8.865 8.865 7.979 0.886 25124 2563 1 4 . 1 1 85 85 SER N N 85 114.679 114.679 116.927 -2.248 25124 2564 1 4 . 1 1 85 85 SER HA H 85 4.303 4.303 4.498 -0.195 25124 2565 1 4 . 1 1 85 85 SER C C 85 174.560 174.560 174.724 -0.164 25124 2566 1 4 . 1 1 85 85 SER CA C 85 58.970 58.970 60.018 -1.048 25124 2567 1 4 . 1 1 85 85 SER CB C 85 62.829 62.829 63.434 -0.605 25124 2568 1 4 . 1 1 85 85 SER H H 85 8.016 8.016 7.905 0.111 25124 2569 1 4 . 1 1 86 86 ASP N N 86 122.325 122.325 122.931 -0.606 25124 2570 1 4 . 1 1 86 86 ASP HA H 86 4.761 4.761 4.363 0.398 25124 2571 1 4 . 1 1 86 86 ASP C C 86 176.094 176.094 176.944 -0.850 25124 2572 1 4 . 1 1 86 86 ASP CA C 86 53.627 53.627 55.600 -1.974 25124 2573 1 4 . 1 1 86 86 ASP CB C 86 40.942 40.942 40.499 0.443 25124 2574 1 4 . 1 1 86 86 ASP H H 86 8.054 8.054 8.863 -0.809 25124 2575 1 4 . 1 1 87 87 LEU N N 87 122.041 122.041 119.914 2.127 25124 2576 1 4 . 1 1 87 87 LEU HA H 87 4.069 4.069 3.996 0.073 25124 2577 1 4 . 1 1 87 87 LEU C C 87 177.892 177.892 177.540 0.352 25124 2578 1 4 . 1 1 87 87 LEU CA C 87 57.182 57.182 57.052 0.130 25124 2579 1 4 . 1 1 87 87 LEU CB C 87 42.015 42.015 41.800 0.215 25124 2580 1 4 . 1 1 87 87 LEU H H 87 8.005 8.005 7.635 0.370 25124 2581 1 4 . 1 1 88 88 ASP N N 88 118.050 118.050 119.895 -1.845 25124 2582 1 4 . 1 1 88 88 ASP HA H 88 4.370 4.370 4.242 0.128 25124 2583 1 4 . 1 1 88 88 ASP C C 88 178.103 178.103 177.496 0.607 25124 2584 1 4 . 1 1 88 88 ASP CA C 88 56.342 56.342 57.714 -1.372 25124 2585 1 4 . 1 1 88 88 ASP CB C 88 40.280 40.280 40.328 -0.048 25124 2586 1 4 . 1 1 88 88 ASP H H 88 8.243 8.243 8.542 -0.299 25124 2587 1 4 . 1 1 89 89 ALA N N 89 122.780 122.780 121.271 1.509 25124 2588 1 4 . 1 1 89 89 ALA HA H 89 4.038 4.038 4.101 -0.063 25124 2589 1 4 . 1 1 89 89 ALA C C 89 178.526 178.526 178.657 -0.131 25124 2590 1 4 . 1 1 89 89 ALA CA C 89 54.655 54.655 54.148 0.507 25124 2591 1 4 . 1 1 89 89 ALA CB C 89 18.809 18.809 18.440 0.369 25124 2592 1 4 . 1 1 89 89 ALA H H 89 7.890 7.890 7.727 0.163 25124 2593 1 4 . 1 1 90 90 ALA N N 90 120.040 120.040 120.783 -0.743 25124 2594 1 4 . 1 1 90 90 ALA HA H 90 3.254 3.254 3.640 -0.386 25124 2595 1 4 . 1 1 90 90 ALA C C 90 178.976 178.976 179.059 -0.083 25124 2596 1 4 . 1 1 90 90 ALA CA C 90 55.050 55.050 54.625 0.425 25124 2597 1 4 . 1 1 90 90 ALA CB C 90 17.725 17.725 18.131 -0.406 25124 2598 1 4 . 1 1 90 90 ALA H H 90 7.513 7.513 7.838 -0.325 25124 2599 1 4 . 1 1 91 91 VAL N N 91 116.635 116.635 117.563 -0.928 25124 2600 1 4 . 1 1 91 91 VAL HA H 91 3.637 3.637 3.781 -0.144 25124 2601 1 4 . 1 1 91 91 VAL C C 91 178.632 178.632 177.842 0.790 25124 2602 1 4 . 1 1 91 91 VAL CA C 91 65.971 65.971 65.852 0.119 25124 2603 1 4 . 1 1 91 91 VAL CB C 91 31.623 31.623 31.762 -0.139 25124 2604 1 4 . 1 1 91 91 VAL H H 91 7.877 7.877 7.346 0.531 25124 2605 1 4 . 1 1 92 92 SER N N 92 115.439 115.439 116.263 -0.824 25124 2606 1 4 . 1 1 92 92 SER HA H 92 4.215 4.215 4.014 0.201 25124 2607 1 4 . 1 1 92 92 SER C C 92 175.961 175.961 176.831 -0.870 25124 2608 1 4 . 1 1 92 92 SER CA C 92 61.401 61.401 61.767 -0.367 25124 2609 1 4 . 1 1 92 92 SER CB C 92 62.966 62.966 62.862 0.104 25124 2610 1 4 . 1 1 92 92 SER H H 92 7.912 7.912 7.549 0.363 25124 2611 1 4 . 1 1 93 93 ALA N N 93 122.647 122.647 123.755 -1.108 25124 2612 1 4 . 1 1 93 93 ALA HA H 93 3.786 3.786 3.987 -0.201 25124 2613 1 4 . 1 1 93 93 ALA C C 93 179.293 179.293 179.737 -0.444 25124 2614 1 4 . 1 1 93 93 ALA CA C 93 55.172 55.172 54.940 0.232 25124 2615 1 4 . 1 1 93 93 ALA CB C 93 17.161 17.161 17.849 -0.688 25124 2616 1 4 . 1 1 93 93 ALA H H 93 8.199 8.199 8.325 -0.126 25124 2617 1 4 . 1 1 94 94 TYR N N 94 117.796 117.796 118.636 -0.840 25124 2618 1 4 . 1 1 94 94 TYR HA H 94 4.283 4.283 4.097 0.186 25124 2619 1 4 . 1 1 94 94 TYR C C 94 179.954 179.954 178.515 1.439 25124 2620 1 4 . 1 1 94 94 TYR CA C 94 61.216 61.216 60.581 0.635 25124 2621 1 4 . 1 1 94 94 TYR CB C 94 37.716 37.716 37.698 0.018 25124 2622 1 4 . 1 1 94 94 TYR H H 94 8.065 8.065 7.434 0.631 25124 2623 1 4 . 1 1 95 95 GLN N N 95 120.057 120.057 116.335 3.722 25124 2624 1 4 . 1 1 95 95 GLN HA H 95 4.005 4.005 4.081 -0.076 25124 2625 1 4 . 1 1 95 95 GLN C C 95 177.680 177.680 178.260 -0.580 25124 2626 1 4 . 1 1 95 95 GLN CA C 95 58.471 58.471 57.938 0.533 25124 2627 1 4 . 1 1 95 95 GLN CB C 95 28.334 28.334 28.647 -0.313 25124 2628 1 4 . 1 1 95 95 GLN H H 95 8.513 8.513 7.692 0.821 25124 2629 1 4 . 1 1 96 96 GLN N N 96 115.323 115.323 117.195 -1.872 25124 2630 1 4 . 1 1 96 96 GLN HA H 96 4.321 4.321 4.311 0.010 25124 2631 1 4 . 1 1 96 96 GLN C C 96 175.538 175.538 176.247 -0.709 25124 2632 1 4 . 1 1 96 96 GLN CA C 96 55.379 55.379 56.488 -1.109 25124 2633 1 4 . 1 1 96 96 GLN CB C 96 28.915 28.915 30.040 -1.125 25124 2634 1 4 . 1 1 96 96 GLN H H 96 7.774 7.774 8.025 -0.251 25124 2635 1 4 . 1 1 97 97 GLY N N 97 104.173 104.173 105.897 -1.724 25124 2636 1 4 . 1 1 97 97 GLY C C 97 175.168 175.168 173.297 1.871 25124 2637 1 4 . 1 1 97 97 GLY CA C 97 45.491 45.491 44.699 0.792 25124 2638 1 4 . 1 1 97 97 GLY H H 97 7.576 7.576 7.870 -0.294 25124 2639 1 4 . 1 1 98 98 ALA N N 98 123.484 123.484 121.834 1.650 25124 2640 1 4 . 1 1 98 98 ALA HA H 98 4.266 4.266 4.498 -0.232 25124 2641 1 4 . 1 1 98 98 ALA C C 98 176.067 176.067 176.292 -0.225 25124 2642 1 4 . 1 1 98 98 ALA CA C 98 53.008 53.008 51.876 1.132 25124 2643 1 4 . 1 1 98 98 ALA CB C 98 18.556 18.556 20.034 -1.478 25124 2644 1 4 . 1 1 98 98 ALA H H 98 8.358 8.358 7.694 0.664 25124 2645 1 4 . 1 1 99 99 PHE N N 99 123.551 123.551 120.932 2.619 25124 2646 1 4 . 1 1 99 99 PHE HA H 99 4.259 4.259 4.702 -0.443 25124 2647 1 4 . 1 1 99 99 PHE C C 99 175.432 175.432 175.470 -0.038 25124 2648 1 4 . 1 1 99 99 PHE CA C 99 60.274 60.274 59.531 0.743 25124 2649 1 4 . 1 1 99 99 PHE CB C 99 40.375 40.375 41.475 -1.100 25124 2650 1 4 . 1 1 99 99 PHE H H 99 9.477 9.477 8.247 1.230 25124 2651 1 4 . 1 1 100 100 ASP N N 100 110.678 110.678 114.983 -4.305 25124 2652 1 4 . 1 1 100 100 ASP HA H 100 4.547 4.547 4.969 -0.422 25124 2653 1 4 . 1 1 100 100 ASP C C 100 173.053 173.053 173.624 -0.571 25124 2654 1 4 . 1 1 100 100 ASP CA C 100 52.527 52.527 54.123 -1.595 25124 2655 1 4 . 1 1 100 100 ASP CB C 100 44.789 44.789 43.787 1.002 25124 2656 1 4 . 1 1 100 100 ASP H H 100 7.683 7.683 8.191 -0.508 25124 2657 1 4 . 1 1 101 101 TYR N N 101 122.174 122.174 121.346 0.828 25124 2658 1 4 . 1 1 101 101 TYR HA H 101 5.425 5.425 5.235 0.190 25124 2659 1 4 . 1 1 101 101 TYR C C 101 172.550 172.550 174.426 -1.876 25124 2660 1 4 . 1 1 101 101 TYR CA C 101 55.865 55.865 56.408 -0.543 25124 2661 1 4 . 1 1 101 101 TYR CB C 101 41.760 41.760 39.472 2.288 25124 2662 1 4 . 1 1 101 101 TYR H H 101 9.874 9.874 8.704 1.170 25124 2663 1 4 . 1 1 102 102 LEU N N 102 129.337 129.337 129.727 -0.390 25124 2664 1 4 . 1 1 102 102 LEU HA H 102 4.677 4.677 4.662 0.015 25124 2665 1 4 . 1 1 102 102 LEU CA C 102 50.418 50.418 50.644 -0.226 25124 2666 1 4 . 1 1 102 102 LEU CB C 102 45.066 45.066 43.576 1.490 25124 2667 1 4 . 1 1 102 102 LEU H H 102 8.974 8.974 7.964 1.010 25124 2668 1 4 . 1 1 103 103 PRO HA H 103 4.552 4.552 4.403 0.149 25124 2669 1 4 . 1 1 103 103 PRO C C 103 176.067 176.067 175.540 0.527 25124 2670 1 4 . 1 1 103 103 PRO CA C 103 61.951 61.951 62.139 -0.188 25124 2671 1 4 . 1 1 103 103 PRO CB C 103 31.829 31.829 32.199 -0.370 25124 2672 1 4 . 1 1 104 104 LYS N N 104 118.403 118.403 119.872 -1.469 25124 2673 1 4 . 1 1 104 104 LYS HA H 104 4.459 4.459 4.937 -0.478 25124 2674 1 4 . 1 1 104 104 LYS CA C 104 53.204 53.204 53.695 -0.491 25124 2675 1 4 . 1 1 104 104 LYS CB C 104 34.500 34.500 31.702 2.798 25124 2676 1 4 . 1 1 104 104 LYS H H 104 8.013 8.013 8.224 -0.211 25124 2677 1 4 . 1 1 105 105 PRO HA H 105 4.258 4.258 4.538 -0.280 25124 2678 1 4 . 1 1 105 105 PRO C C 105 174.930 174.930 176.037 -1.107 25124 2679 1 4 . 1 1 105 105 PRO CA C 105 62.213 62.213 63.071 -0.858 25124 2680 1 4 . 1 1 105 105 PRO CB C 105 34.151 34.151 31.808 2.343 25124 2681 1 4 . 1 1 106 106 PHE N N 106 116.796 116.796 120.786 -3.990 25124 2682 1 4 . 1 1 106 106 PHE HA H 106 5.169 5.169 4.761 0.408 25124 2683 1 4 . 1 1 106 106 PHE C C 106 175.194 175.194 174.604 0.590 25124 2684 1 4 . 1 1 106 106 PHE CA C 106 53.244 53.244 55.415 -2.171 25124 2685 1 4 . 1 1 106 106 PHE CB C 106 40.477 40.477 41.135 -0.658 25124 2686 1 4 . 1 1 106 106 PHE H H 106 7.399 7.399 7.707 -0.308 25124 2687 1 4 . 1 1 107 107 ASP N N 107 122.212 122.212 123.386 -1.174 25124 2688 1 4 . 1 1 107 107 ASP HA H 107 4.823 4.823 4.843 -0.020 25124 2689 1 4 . 1 1 107 107 ASP C C 107 177.812 177.812 177.017 0.795 25124 2690 1 4 . 1 1 107 107 ASP CA C 107 53.392 53.392 53.863 -0.471 25124 2691 1 4 . 1 1 107 107 ASP CB C 107 42.455 42.455 41.201 1.254 25124 2692 1 4 . 1 1 107 107 ASP H H 107 9.047 9.047 8.592 0.455 25124 2693 1 4 . 1 1 108 108 ILE N N 108 127.963 127.963 122.611 5.352 25124 2694 1 4 . 1 1 108 108 ILE HA H 108 3.949 3.949 3.920 0.029 25124 2695 1 4 . 1 1 108 108 ILE C C 108 176.226 176.226 176.808 -0.582 25124 2696 1 4 . 1 1 108 108 ILE CA C 108 63.105 63.105 64.130 -1.025 25124 2697 1 4 . 1 1 108 108 ILE CB C 108 37.665 37.665 36.982 0.683 25124 2698 1 4 . 1 1 108 108 ILE H H 108 8.898 8.898 8.354 0.544 25124 2699 1 4 . 1 1 109 109 ASP N N 109 119.804 119.804 120.859 -1.055 25124 2700 1 4 . 1 1 109 109 ASP HA H 109 4.393 4.393 4.348 0.045 25124 2701 1 4 . 1 1 109 109 ASP C C 109 179.848 179.848 178.918 0.930 25124 2702 1 4 . 1 1 109 109 ASP CA C 109 57.483 57.483 58.108 -0.624 25124 2703 1 4 . 1 1 109 109 ASP CB C 109 39.986 39.986 40.069 -0.083 25124 2704 1 4 . 1 1 109 109 ASP H H 109 8.098 8.098 8.533 -0.435 25124 2705 1 4 . 1 1 110 110 GLU N N 110 121.667 121.667 118.841 2.826 25124 2706 1 4 . 1 1 110 110 GLU HA H 110 4.085 4.085 4.342 -0.257 25124 2707 1 4 . 1 1 110 110 GLU C C 110 178.976 178.976 177.994 0.982 25124 2708 1 4 . 1 1 110 110 GLU CA C 110 58.790 58.790 58.157 0.633 25124 2709 1 4 . 1 1 110 110 GLU CB C 110 29.330 29.330 29.771 -0.441 25124 2710 1 4 . 1 1 110 110 GLU H H 110 8.059 8.059 8.106 -0.047 25124 2711 1 4 . 1 1 111 111 ALA N N 111 122.208 122.208 123.126 -0.918 25124 2712 1 4 . 1 1 111 111 ALA HA H 111 3.758 3.758 4.213 -0.455 25124 2713 1 4 . 1 1 111 111 ALA C C 111 178.605 178.605 179.425 -0.820 25124 2714 1 4 . 1 1 111 111 ALA CA C 111 55.320 55.320 55.142 0.178 25124 2715 1 4 . 1 1 111 111 ALA CB C 111 18.174 18.174 18.578 -0.404 25124 2716 1 4 . 1 1 111 111 ALA H H 111 7.903 7.903 7.565 0.338 25124 2717 1 4 . 1 1 112 112 VAL N N 112 116.429 116.429 118.149 -1.720 25124 2718 1 4 . 1 1 112 112 VAL HA H 112 3.194 3.194 3.625 -0.431 25124 2719 1 4 . 1 1 112 112 VAL C C 112 177.230 177.230 177.945 -0.715 25124 2720 1 4 . 1 1 112 112 VAL CA C 112 67.154 67.154 67.243 -0.089 25124 2721 1 4 . 1 1 112 112 VAL CB C 112 31.538 31.538 31.221 0.317 25124 2722 1 4 . 1 1 112 112 VAL H H 112 8.032 8.032 8.678 -0.646 25124 2723 1 4 . 1 1 113 113 ALA N N 113 120.198 120.198 120.490 -0.292 25124 2724 1 4 . 1 1 113 113 ALA HA H 113 4.159 4.159 4.212 -0.053 25124 2725 1 4 . 1 1 113 113 ALA C C 113 180.589 180.589 179.202 1.387 25124 2726 1 4 . 1 1 113 113 ALA CA C 113 54.902 54.902 54.328 0.574 25124 2727 1 4 . 1 1 113 113 ALA CB C 113 17.980 17.980 18.620 -0.640 25124 2728 1 4 . 1 1 113 113 ALA H H 113 7.723 7.723 7.910 -0.187 25124 2729 1 4 . 1 1 114 114 LEU N N 114 120.742 120.742 119.719 1.023 25124 2730 1 4 . 1 1 114 114 LEU HA H 114 4.102 4.102 4.293 -0.191 25124 2731 1 4 . 1 1 114 114 LEU C C 114 178.605 178.605 178.345 0.260 25124 2732 1 4 . 1 1 114 114 LEU CA C 114 58.181 58.181 57.323 0.858 25124 2733 1 4 . 1 1 114 114 LEU CB C 114 42.032 42.032 41.999 0.033 25124 2734 1 4 . 1 1 114 114 LEU H H 114 7.928 7.928 7.166 0.762 25124 2735 1 4 . 1 1 115 115 VAL N N 115 119.478 119.478 118.188 1.290 25124 2736 1 4 . 1 1 115 115 VAL HA H 115 3.250 3.250 3.540 -0.290 25124 2737 1 4 . 1 1 115 115 VAL C C 115 177.548 177.548 178.103 -0.555 25124 2738 1 4 . 1 1 115 115 VAL CA C 115 67.168 67.168 65.928 1.240 25124 2739 1 4 . 1 1 115 115 VAL CB C 115 30.760 30.760 31.103 -0.343 25124 2740 1 4 . 1 1 115 115 VAL H H 115 7.846 7.846 8.443 -0.597 25124 2741 1 4 . 1 1 116 116 GLU N N 116 117.570 117.570 117.638 -0.068 25124 2742 1 4 . 1 1 116 116 GLU HA H 116 3.809 3.809 4.129 -0.320 25124 2743 1 4 . 1 1 116 116 GLU C C 116 179.557 179.557 178.655 0.902 25124 2744 1 4 . 1 1 116 116 GLU CA C 116 59.974 59.974 58.331 1.643 25124 2745 1 4 . 1 1 116 116 GLU CB C 116 29.084 29.084 28.888 0.196 25124 2746 1 4 . 1 1 116 116 GLU H H 116 8.462 8.462 7.794 0.668 25124 2747 1 4 . 1 1 117 117 ARG N N 117 120.263 120.263 120.307 -0.044 25124 2748 1 4 . 1 1 117 117 ARG HA H 117 4.109 4.109 4.054 0.055 25124 2749 1 4 . 1 1 117 117 ARG C C 117 178.500 178.500 178.134 0.366 25124 2750 1 4 . 1 1 117 117 ARG CA C 117 59.411 59.411 59.475 -0.064 25124 2751 1 4 . 1 1 117 117 ARG CB C 117 30.414 30.414 30.163 0.251 25124 2752 1 4 . 1 1 117 117 ARG H H 117 8.090 8.090 7.700 0.390 25124 2753 1 4 . 1 1 118 118 ALA N N 118 122.157 122.157 119.061 3.096 25124 2754 1 4 . 1 1 118 118 ALA HA H 118 3.467 3.467 4.297 -0.830 25124 2755 1 4 . 1 1 118 118 ALA C C 118 178.632 178.632 178.989 -0.357 25124 2756 1 4 . 1 1 118 118 ALA CA C 118 54.739 54.739 54.101 0.638 25124 2757 1 4 . 1 1 118 118 ALA CB C 118 18.280 18.280 18.749 -0.469 25124 2758 1 4 . 1 1 118 118 ALA H H 118 8.005 8.005 7.297 0.708 25124 2759 1 4 . 1 1 119 119 ILE N N 119 115.429 115.429 117.800 -2.371 25124 2760 1 4 . 1 1 119 119 ILE HA H 119 3.706 3.706 3.881 -0.175 25124 2761 1 4 . 1 1 119 119 ILE C C 119 177.442 177.442 177.008 0.434 25124 2762 1 4 . 1 1 119 119 ILE CA C 119 63.910 63.910 64.516 -0.606 25124 2763 1 4 . 1 1 119 119 ILE CB C 119 37.939 37.939 37.711 0.228 25124 2764 1 4 . 1 1 119 119 ILE H H 119 7.788 7.788 7.357 0.431 25124 2765 1 4 . 1 1 120 120 SER N N 120 114.902 114.902 113.147 1.755 25124 2766 1 4 . 1 1 120 120 SER HA H 120 4.285 4.285 4.216 0.069 25124 2767 1 4 . 1 1 120 120 SER C C 120 175.142 175.142 175.721 -0.579 25124 2768 1 4 . 1 1 120 120 SER CA C 120 59.871 59.871 60.736 -0.865 25124 2769 1 4 . 1 1 120 120 SER CB C 120 63.522 63.522 63.715 -0.194 25124 2770 1 4 . 1 1 120 120 SER H H 120 7.881 7.881 8.121 -0.240 25124 2771 1 4 . 1 1 121 121 HIS N N 121 119.927 119.927 121.803 -1.876 25124 2772 1 4 . 1 1 121 121 HIS HA H 121 4.439 4.439 4.258 0.181 25124 2773 1 4 . 1 1 121 121 HIS C C 121 174.957 174.957 176.407 -1.450 25124 2774 1 4 . 1 1 121 121 HIS CA C 121 57.362 57.362 58.599 -1.237 25124 2775 1 4 . 1 1 121 121 HIS CB C 121 29.496 29.496 30.325 -0.828 25124 2776 1 4 . 1 1 121 121 HIS H H 121 7.960 7.960 7.578 0.382 25124 2777 1 4 . 1 1 122 122 TYR N N 122 118.745 118.745 119.730 -0.985 25124 2778 1 4 . 1 1 122 122 TYR HA H 122 4.455 4.455 4.714 -0.259 25124 2779 1 4 . 1 1 122 122 TYR C C 122 175.353 175.353 175.066 0.287 25124 2780 1 4 . 1 1 122 122 TYR CA C 122 58.528 58.528 56.643 1.885 25124 2781 1 4 . 1 1 122 122 TYR CB C 122 38.726 38.726 36.572 2.154 25124 2782 1 4 . 1 1 122 122 TYR H H 122 7.776 7.776 7.574 0.202 25124 2783 1 4 . 1 1 123 123 GLN N N 123 121.424 121.424 118.990 2.434 25124 2784 1 4 . 1 1 123 123 GLN HA H 123 4.294 4.294 4.583 -0.289 25124 2785 1 4 . 1 1 123 123 GLN C C 123 174.560 174.560 175.358 -0.798 25124 2786 1 4 . 1 1 123 123 GLN CA C 123 55.658 55.658 55.066 0.592 25124 2787 1 4 . 1 1 123 123 GLN CB C 123 29.877 29.877 28.416 1.460 25124 2788 1 4 . 1 1 123 123 GLN H H 123 7.904 7.904 8.220 -0.316 25124 2789 1 5 . 1 1 2 2 GLN HA H 2 4.453 4.453 4.836 -0.383 25124 2790 1 5 . 1 1 2 2 GLN C C 2 174.930 174.930 175.442 -0.512 25124 2791 1 5 . 1 1 2 2 GLN CA C 2 55.627 55.627 55.062 0.565 25124 2792 1 5 . 1 1 2 2 GLN CB C 2 29.312 29.312 31.006 -1.694 25124 2793 1 5 . 1 1 3 3 ARG N N 3 121.349 121.349 119.541 1.808 25124 2794 1 5 . 1 1 3 3 ARG HA H 3 4.390 4.390 4.090 0.300 25124 2795 1 5 . 1 1 3 3 ARG C C 3 175.723 175.723 174.510 1.213 25124 2796 1 5 . 1 1 3 3 ARG CA C 3 56.041 56.041 56.945 -0.904 25124 2797 1 5 . 1 1 3 3 ARG CB C 3 31.395 31.395 30.384 1.010 25124 2798 1 5 . 1 1 3 3 ARG H H 3 8.451 8.451 8.863 -0.412 25124 2799 1 5 . 1 1 4 4 GLY N N 4 107.889 107.889 108.259 -0.370 25124 2800 1 5 . 1 1 4 4 GLY C C 4 171.122 171.122 171.738 -0.616 25124 2801 1 5 . 1 1 4 4 GLY CA C 4 45.333 45.333 44.654 0.679 25124 2802 1 5 . 1 1 4 4 GLY H H 4 8.037 8.037 8.338 -0.301 25124 2803 1 5 . 1 1 5 5 ILE N N 5 122.674 122.674 121.302 1.372 25124 2804 1 5 . 1 1 5 5 ILE HA H 5 4.731 4.731 4.188 0.543 25124 2805 1 5 . 1 1 5 5 ILE C C 5 175.459 175.459 174.610 0.849 25124 2806 1 5 . 1 1 5 5 ILE CA C 5 60.614 60.614 61.169 -0.555 25124 2807 1 5 . 1 1 5 5 ILE CB C 5 39.535 39.535 39.169 0.366 25124 2808 1 5 . 1 1 5 5 ILE H H 5 9.605 9.605 7.935 1.670 25124 2809 1 5 . 1 1 6 6 VAL N N 6 127.532 127.532 124.482 3.050 25124 2810 1 5 . 1 1 6 6 VAL HA H 6 4.892 4.892 4.404 0.488 25124 2811 1 5 . 1 1 6 6 VAL C C 6 174.110 174.110 174.510 -0.400 25124 2812 1 5 . 1 1 6 6 VAL CA C 6 59.255 59.255 61.370 -2.115 25124 2813 1 5 . 1 1 6 6 VAL CB C 6 34.530 34.530 32.942 1.588 25124 2814 1 5 . 1 1 6 6 VAL H H 6 9.135 9.135 8.102 1.033 25124 2815 1 5 . 1 1 7 7 TRP N N 7 127.409 127.409 128.551 -1.142 25124 2816 1 5 . 1 1 7 7 TRP HA H 7 6.447 6.447 5.580 0.867 25124 2817 1 5 . 1 1 7 7 TRP C C 7 175.089 175.089 175.351 -0.262 25124 2818 1 5 . 1 1 7 7 TRP CA C 7 52.797 52.797 53.990 -1.194 25124 2819 1 5 . 1 1 7 7 TRP CB C 7 33.255 33.255 30.558 2.697 25124 2820 1 5 . 1 1 7 7 TRP H H 7 8.544 8.544 8.197 0.347 25124 2821 1 5 . 1 1 8 8 VAL N N 8 122.270 122.270 124.526 -2.256 25124 2822 1 5 . 1 1 8 8 VAL HA H 8 5.135 5.135 4.453 0.682 25124 2823 1 5 . 1 1 8 8 VAL C C 8 173.820 173.820 174.447 -0.627 25124 2824 1 5 . 1 1 8 8 VAL CA C 8 60.457 60.457 60.945 -0.488 25124 2825 1 5 . 1 1 8 8 VAL CB C 8 35.893 35.893 32.864 3.029 25124 2826 1 5 . 1 1 8 8 VAL H H 8 8.643 8.643 8.416 0.227 25124 2827 1 5 . 1 1 9 9 VAL N N 9 126.806 126.806 128.607 -1.801 25124 2828 1 5 . 1 1 9 9 VAL HA H 9 5.192 5.192 4.440 0.752 25124 2829 1 5 . 1 1 9 9 VAL C C 9 172.550 172.550 173.617 -1.067 25124 2830 1 5 . 1 1 9 9 VAL CA C 9 58.384 58.384 60.886 -2.502 25124 2831 1 5 . 1 1 9 9 VAL CB C 9 34.135 34.135 32.960 1.175 25124 2832 1 5 . 1 1 9 9 VAL H H 9 9.113 9.113 7.820 1.293 25124 2833 1 5 . 1 1 10 10 ASP N N 10 125.011 125.011 128.105 -3.094 25124 2834 1 5 . 1 1 10 10 ASP HA H 10 4.554 4.554 5.300 -0.746 25124 2835 1 5 . 1 1 10 10 ASP C C 10 174.877 174.877 174.419 0.458 25124 2836 1 5 . 1 1 10 10 ASP CA C 10 55.066 55.066 53.114 1.952 25124 2837 1 5 . 1 1 10 10 ASP CB C 10 44.131 44.131 44.607 -0.476 25124 2838 1 5 . 1 1 10 10 ASP H H 10 7.881 7.881 8.246 -0.365 25124 2839 1 5 . 1 1 11 11 ASP N N 11 124.048 124.048 122.540 1.508 25124 2840 1 5 . 1 1 11 11 ASP HA H 11 4.613 4.613 4.902 -0.289 25124 2841 1 5 . 1 1 11 11 ASP C C 11 175.089 175.089 174.813 0.276 25124 2842 1 5 . 1 1 11 11 ASP CA C 11 55.346 55.346 53.273 2.073 25124 2843 1 5 . 1 1 11 11 ASP CB C 11 39.583 39.583 41.003 -1.420 25124 2844 1 5 . 1 1 11 11 ASP H H 11 9.166 9.166 8.448 0.718 25124 2845 1 5 . 1 1 12 12 ASP N N 12 125.165 125.165 123.389 1.776 25124 2846 1 5 . 1 1 12 12 ASP HA H 12 4.757 4.757 4.764 -0.007 25124 2847 1 5 . 1 1 12 12 ASP C C 12 176.993 176.993 175.440 1.553 25124 2848 1 5 . 1 1 12 12 ASP CA C 12 53.112 53.112 54.392 -1.280 25124 2849 1 5 . 1 1 12 12 ASP CB C 12 41.072 41.072 43.596 -2.525 25124 2850 1 5 . 1 1 12 12 ASP H H 12 10.290 10.290 7.828 2.462 25124 2851 1 5 . 1 1 13 13 SER N N 13 123.818 123.818 120.359 3.459 25124 2852 1 5 . 1 1 13 13 SER HA H 13 3.719 3.719 4.247 -0.528 25124 2853 1 5 . 1 1 13 13 SER C C 13 176.146 176.146 176.157 -0.011 25124 2854 1 5 . 1 1 13 13 SER CA C 13 61.341 61.341 60.756 0.585 25124 2855 1 5 . 1 1 13 13 SER CB C 13 62.638 62.638 63.476 -0.838 25124 2856 1 5 . 1 1 13 13 SER H H 13 8.993 8.993 8.739 0.254 25124 2857 1 5 . 1 1 14 14 SER N N 14 118.714 118.714 118.905 -0.191 25124 2858 1 5 . 1 1 14 14 SER HA H 14 4.322 4.322 4.300 0.022 25124 2859 1 5 . 1 1 14 14 SER C C 14 176.411 176.411 176.088 0.323 25124 2860 1 5 . 1 1 14 14 SER CA C 14 61.717 61.717 61.724 -0.007 25124 2861 1 5 . 1 1 14 14 SER CB C 14 62.554 62.554 63.013 -0.459 25124 2862 1 5 . 1 1 14 14 SER H H 14 8.499 8.499 7.830 0.669 25124 2863 1 5 . 1 1 15 15 ILE N N 15 122.822 122.822 119.033 3.789 25124 2864 1 5 . 1 1 15 15 ILE HA H 15 3.972 3.972 4.105 -0.133 25124 2865 1 5 . 1 1 15 15 ILE C C 15 177.786 177.786 177.556 0.230 25124 2866 1 5 . 1 1 15 15 ILE CA C 15 60.784 60.784 61.450 -0.666 25124 2867 1 5 . 1 1 15 15 ILE CB C 15 36.016 36.016 36.345 -0.329 25124 2868 1 5 . 1 1 15 15 ILE H H 15 7.011 7.011 8.264 -1.253 25124 2869 1 5 . 1 1 16 16 ARG N N 16 116.580 116.580 120.757 -4.177 25124 2870 1 5 . 1 1 16 16 ARG HA H 16 3.711 3.711 4.074 -0.362 25124 2871 1 5 . 1 1 16 16 ARG C C 16 177.336 177.336 178.081 -0.745 25124 2872 1 5 . 1 1 16 16 ARG CA C 16 61.632 61.632 59.261 2.372 25124 2873 1 5 . 1 1 16 16 ARG CB C 16 30.520 30.520 30.387 0.133 25124 2874 1 5 . 1 1 16 16 ARG H H 16 7.370 7.370 8.163 -0.793 25124 2875 1 5 . 1 1 17 17 TRP N N 17 116.893 116.893 121.826 -4.933 25124 2876 1 5 . 1 1 17 17 TRP HA H 17 4.481 4.481 4.352 0.129 25124 2877 1 5 . 1 1 17 17 TRP C C 17 178.394 178.394 177.865 0.529 25124 2878 1 5 . 1 1 17 17 TRP CA C 17 60.482 60.482 61.432 -0.950 25124 2879 1 5 . 1 1 17 17 TRP CB C 17 29.372 29.372 29.214 0.158 25124 2880 1 5 . 1 1 17 17 TRP H H 17 8.020 8.020 8.307 -0.287 25124 2881 1 5 . 1 1 18 18 VAL N N 18 116.799 116.799 116.091 0.708 25124 2882 1 5 . 1 1 18 18 VAL HA H 18 3.662 3.662 2.824 0.838 25124 2883 1 5 . 1 1 18 18 VAL C C 18 179.161 179.161 177.921 1.240 25124 2884 1 5 . 1 1 18 18 VAL CA C 18 65.858 65.858 65.195 0.663 25124 2885 1 5 . 1 1 18 18 VAL CB C 18 31.792 31.792 30.302 1.490 25124 2886 1 5 . 1 1 18 18 VAL H H 18 8.085 8.085 7.555 0.530 25124 2887 1 5 . 1 1 19 19 LEU N N 19 119.595 119.595 119.658 -0.063 25124 2888 1 5 . 1 1 19 19 LEU HA H 19 4.083 4.083 4.070 0.013 25124 2889 1 5 . 1 1 19 19 LEU C C 19 177.759 177.759 179.149 -1.390 25124 2890 1 5 . 1 1 19 19 LEU CA C 19 57.971 57.971 57.392 0.579 25124 2891 1 5 . 1 1 19 19 LEU CB C 19 41.863 41.863 40.661 1.202 25124 2892 1 5 . 1 1 19 19 LEU H H 19 8.035 8.035 7.386 0.649 25124 2893 1 5 . 1 1 20 20 GLU N N 20 120.318 120.318 121.057 -0.739 25124 2894 1 5 . 1 1 20 20 GLU HA H 20 4.007 4.007 4.172 -0.165 25124 2895 1 5 . 1 1 20 20 GLU C C 20 178.500 178.500 178.392 0.108 25124 2896 1 5 . 1 1 20 20 GLU CA C 20 60.567 60.567 59.316 1.251 25124 2897 1 5 . 1 1 20 20 GLU CB C 20 29.073 29.073 29.984 -0.911 25124 2898 1 5 . 1 1 20 20 GLU H H 20 8.417 8.417 8.283 0.134 25124 2899 1 5 . 1 1 21 21 ARG N N 21 115.981 115.981 119.655 -3.674 25124 2900 1 5 . 1 1 21 21 ARG HA H 21 3.898 3.898 3.901 -0.003 25124 2901 1 5 . 1 1 21 21 ARG C C 21 179.769 179.769 178.556 1.213 25124 2902 1 5 . 1 1 21 21 ARG CA C 21 58.491 58.491 58.657 -0.166 25124 2903 1 5 . 1 1 21 21 ARG CB C 21 29.966 29.966 28.870 1.096 25124 2904 1 5 . 1 1 21 21 ARG H H 21 7.579 7.579 8.459 -0.880 25124 2905 1 5 . 1 1 22 22 ALA N N 22 122.267 122.267 121.841 0.426 25124 2906 1 5 . 1 1 22 22 ALA HA H 22 4.110 4.110 3.937 0.173 25124 2907 1 5 . 1 1 22 22 ALA C C 22 180.456 180.456 179.251 1.205 25124 2908 1 5 . 1 1 22 22 ALA CA C 22 54.643 54.643 54.815 -0.172 25124 2909 1 5 . 1 1 22 22 ALA CB C 22 19.225 19.225 18.353 0.872 25124 2910 1 5 . 1 1 22 22 ALA H H 22 7.933 7.933 7.402 0.531 25124 2911 1 5 . 1 1 23 23 LEU N N 23 118.139 118.139 119.791 -1.652 25124 2912 1 5 . 1 1 23 23 LEU HA H 23 4.005 4.005 4.015 -0.010 25124 2913 1 5 . 1 1 23 23 LEU C C 23 178.843 178.843 179.115 -0.272 25124 2914 1 5 . 1 1 23 23 LEU CA C 23 57.765 57.765 57.339 0.426 25124 2915 1 5 . 1 1 23 23 LEU CB C 23 39.919 39.919 41.590 -1.671 25124 2916 1 5 . 1 1 23 23 LEU H H 23 8.855 8.855 7.392 1.463 25124 2917 1 5 . 1 1 24 24 ALA N N 24 122.164 122.164 120.408 1.756 25124 2918 1 5 . 1 1 24 24 ALA HA H 24 4.665 4.665 4.021 0.644 25124 2919 1 5 . 1 1 24 24 ALA C C 24 183.206 183.206 179.816 3.390 25124 2920 1 5 . 1 1 24 24 ALA CA C 24 54.812 54.812 54.773 0.039 25124 2921 1 5 . 1 1 24 24 ALA CB C 24 17.820 17.820 18.320 -0.500 25124 2922 1 5 . 1 1 24 24 ALA H H 24 8.238 8.238 8.560 -0.322 25124 2923 1 5 . 1 1 25 25 GLY N N 25 106.903 106.903 105.822 1.081 25124 2924 1 5 . 1 1 25 25 GLY C C 25 174.375 174.375 175.559 -1.184 25124 2925 1 5 . 1 1 25 25 GLY CA C 25 46.550 46.550 45.585 0.965 25124 2926 1 5 . 1 1 25 25 GLY H H 25 7.907 7.907 7.655 0.252 25124 2927 1 5 . 1 1 26 26 ALA N N 26 121.832 121.832 122.791 -0.959 25124 2928 1 5 . 1 1 26 26 ALA HA H 26 4.505 4.505 4.252 0.253 25124 2929 1 5 . 1 1 26 26 ALA CA C 26 51.585 51.585 52.526 -0.941 25124 2930 1 5 . 1 1 26 26 ALA CB C 26 18.799 18.799 19.463 -0.664 25124 2931 1 5 . 1 1 26 26 ALA H H 26 7.316 7.316 7.753 -0.437 25124 2932 1 5 . 1 1 27 27 GLY N N 27 106.146 106.146 105.454 0.692 25124 2933 1 5 . 1 1 27 27 GLY C C 27 174.057 174.057 174.537 -0.480 25124 2934 1 5 . 1 1 27 27 GLY CA C 27 45.333 45.333 44.816 0.518 25124 2935 1 5 . 1 1 27 27 GLY H H 27 7.868 7.868 8.292 -0.424 25124 2936 1 5 . 1 1 28 28 LEU N N 28 120.273 120.273 121.522 -1.249 25124 2937 1 5 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.224 0.351 25124 2938 1 5 . 1 1 28 28 LEU C C 28 175.988 175.988 177.449 -1.461 25124 2939 1 5 . 1 1 28 28 LEU CA C 28 53.881 53.881 54.701 -0.820 25124 2940 1 5 . 1 1 28 28 LEU CB C 28 42.540 42.540 42.091 0.449 25124 2941 1 5 . 1 1 28 28 LEU H H 28 7.659 7.659 7.478 0.181 25124 2942 1 5 . 1 1 29 29 THR N N 29 118.173 118.173 118.028 0.145 25124 2943 1 5 . 1 1 29 29 THR HA H 29 4.346 4.346 4.152 0.194 25124 2944 1 5 . 1 1 29 29 THR C C 29 173.344 173.344 173.609 -0.265 25124 2945 1 5 . 1 1 29 29 THR CA C 29 62.598 62.598 63.525 -0.927 25124 2946 1 5 . 1 1 29 29 THR CB C 29 69.423 69.423 69.122 0.301 25124 2947 1 5 . 1 1 29 29 THR H H 29 8.562 8.562 8.091 0.471 25124 2948 1 5 . 1 1 30 30 CYS N N 30 128.450 128.450 128.310 0.140 25124 2949 1 5 . 1 1 30 30 CYS HA H 30 6.012 6.012 4.642 1.370 25124 2950 1 5 . 1 1 30 30 CYS C C 30 173.978 173.978 174.023 -0.045 25124 2951 1 5 . 1 1 30 30 CYS CA C 30 56.424 56.424 57.700 -1.276 25124 2952 1 5 . 1 1 30 30 CYS CB C 30 29.615 29.615 27.835 1.780 25124 2953 1 5 . 1 1 30 30 CYS H H 30 9.035 9.035 8.734 0.301 25124 2954 1 5 . 1 1 31 31 THR N N 31 126.377 126.377 126.073 0.304 25124 2955 1 5 . 1 1 31 31 THR HA H 31 4.442 4.442 4.547 -0.105 25124 2956 1 5 . 1 1 31 31 THR C C 31 172.683 172.683 173.038 -0.355 25124 2957 1 5 . 1 1 31 31 THR CA C 31 61.956 61.956 61.873 0.083 25124 2958 1 5 . 1 1 31 31 THR CB C 31 70.624 70.624 70.933 -0.309 25124 2959 1 5 . 1 1 31 31 THR H H 31 8.510 8.510 8.443 0.067 25124 2960 1 5 . 1 1 32 32 THR N N 32 115.988 115.988 114.809 1.179 25124 2961 1 5 . 1 1 32 32 THR HA H 32 5.454 5.454 4.674 0.780 25124 2962 1 5 . 1 1 32 32 THR C C 32 172.259 172.259 172.184 0.075 25124 2963 1 5 . 1 1 32 32 THR CA C 32 59.101 59.101 59.394 -0.293 25124 2964 1 5 . 1 1 32 32 THR CB C 32 71.173 71.173 71.344 -0.171 25124 2965 1 5 . 1 1 32 32 THR H H 32 8.301 8.301 7.965 0.336 25124 2966 1 5 . 1 1 33 33 PHE N N 33 117.690 117.690 118.600 -0.910 25124 2967 1 5 . 1 1 33 33 PHE HA H 33 4.723 4.723 4.720 0.003 25124 2968 1 5 . 1 1 33 33 PHE C C 33 174.507 174.507 175.385 -0.878 25124 2969 1 5 . 1 1 33 33 PHE CA C 33 56.504 56.504 58.593 -2.089 25124 2970 1 5 . 1 1 33 33 PHE CB C 33 43.589 43.589 40.971 2.618 25124 2971 1 5 . 1 1 33 33 PHE H H 33 8.834 8.834 8.632 0.202 25124 2972 1 5 . 1 1 34 34 GLU N N 34 118.296 118.296 115.187 3.109 25124 2973 1 5 . 1 1 34 34 GLU HA H 34 4.451 4.451 4.484 -0.033 25124 2974 1 5 . 1 1 34 34 GLU C C 34 174.957 174.957 174.182 0.775 25124 2975 1 5 . 1 1 34 34 GLU CA C 34 56.661 56.661 56.755 -0.094 25124 2976 1 5 . 1 1 34 34 GLU CB C 34 31.792 31.792 31.343 0.449 25124 2977 1 5 . 1 1 34 34 GLU H H 34 9.096 9.096 8.266 0.830 25124 2978 1 5 . 1 1 35 35 ASN N N 35 108.486 108.486 114.473 -5.987 25124 2979 1 5 . 1 1 35 35 ASN HA H 35 4.960 4.960 5.008 -0.048 25124 2980 1 5 . 1 1 35 35 ASN C C 35 175.353 175.353 176.745 -1.392 25124 2981 1 5 . 1 1 35 35 ASN CA C 35 52.364 52.364 51.538 0.826 25124 2982 1 5 . 1 1 35 35 ASN CB C 35 40.932 40.932 40.266 0.666 25124 2983 1 5 . 1 1 35 35 ASN H H 35 7.286 7.286 7.733 -0.447 25124 2984 1 5 . 1 1 36 36 GLY N N 36 105.329 105.329 107.444 -2.115 25124 2985 1 5 . 1 1 36 36 GLY C C 36 174.586 174.586 175.671 -1.085 25124 2986 1 5 . 1 1 36 36 GLY CA C 36 47.533 47.533 47.297 0.236 25124 2987 1 5 . 1 1 36 36 GLY H H 36 9.369 9.369 9.072 0.297 25124 2988 1 5 . 1 1 37 37 ASN N N 37 120.396 120.396 119.424 0.972 25124 2989 1 5 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.301 0.061 25124 2990 1 5 . 1 1 37 37 ASN C C 37 178.791 178.791 177.448 1.343 25124 2991 1 5 . 1 1 37 37 ASN CA C 37 56.843 56.843 56.415 0.428 25124 2992 1 5 . 1 1 37 37 ASN CB C 37 37.716 37.716 38.267 -0.551 25124 2993 1 5 . 1 1 37 37 ASN H H 37 8.440 8.440 8.248 0.192 25124 2994 1 5 . 1 1 38 38 GLU N N 38 119.334 119.334 118.914 0.420 25124 2995 1 5 . 1 1 38 38 GLU HA H 38 4.058 4.058 3.868 0.190 25124 2996 1 5 . 1 1 38 38 GLU C C 38 179.372 179.372 178.739 0.633 25124 2997 1 5 . 1 1 38 38 GLU CA C 38 58.790 58.790 59.175 -0.385 25124 2998 1 5 . 1 1 38 38 GLU CB C 38 30.692 30.692 29.588 1.104 25124 2999 1 5 . 1 1 38 38 GLU H H 38 8.063 8.063 8.055 0.008 25124 3000 1 5 . 1 1 39 39 VAL N N 39 119.047 119.047 119.934 -0.887 25124 3001 1 5 . 1 1 39 39 VAL HA H 39 2.599 2.599 2.617 -0.018 25124 3002 1 5 . 1 1 39 39 VAL C C 39 176.807 176.807 177.903 -1.096 25124 3003 1 5 . 1 1 39 39 VAL CA C 39 65.222 65.222 65.373 -0.151 25124 3004 1 5 . 1 1 39 39 VAL CB C 39 31.078 31.078 30.985 0.093 25124 3005 1 5 . 1 1 39 39 VAL H H 39 6.844 6.844 7.199 -0.355 25124 3006 1 5 . 1 1 40 40 LEU N N 40 118.385 118.385 121.095 -2.710 25124 3007 1 5 . 1 1 40 40 LEU HA H 40 3.929 3.929 3.825 0.104 25124 3008 1 5 . 1 1 40 40 LEU C C 40 179.584 179.584 178.051 1.533 25124 3009 1 5 . 1 1 40 40 LEU CA C 40 57.943 57.943 57.977 -0.034 25124 3010 1 5 . 1 1 40 40 LEU CB C 40 40.932 40.932 40.312 0.620 25124 3011 1 5 . 1 1 40 40 LEU H H 40 7.715 7.715 8.012 -0.297 25124 3012 1 5 . 1 1 41 41 ALA N N 41 120.091 120.091 119.849 0.242 25124 3013 1 5 . 1 1 41 41 ALA HA H 41 4.158 4.158 3.898 0.260 25124 3014 1 5 . 1 1 41 41 ALA C C 41 180.562 180.562 179.391 1.171 25124 3015 1 5 . 1 1 41 41 ALA CA C 41 54.717 54.717 54.954 -0.237 25124 3016 1 5 . 1 1 41 41 ALA CB C 41 17.853 17.853 17.916 -0.063 25124 3017 1 5 . 1 1 41 41 ALA H H 41 7.671 7.671 7.734 -0.063 25124 3018 1 5 . 1 1 42 42 ALA N N 42 122.650 122.650 120.804 1.846 25124 3019 1 5 . 1 1 42 42 ALA HA H 42 4.221 4.221 4.158 0.063 25124 3020 1 5 . 1 1 42 42 ALA C C 42 180.166 180.166 179.517 0.649 25124 3021 1 5 . 1 1 42 42 ALA CA C 42 54.974 54.974 53.902 1.072 25124 3022 1 5 . 1 1 42 42 ALA CB C 42 19.488 19.488 18.300 1.188 25124 3023 1 5 . 1 1 42 42 ALA H H 42 7.573 7.573 7.193 0.380 25124 3024 1 5 . 1 1 43 43 LEU N N 43 119.321 119.321 119.916 -0.595 25124 3025 1 5 . 1 1 43 43 LEU HA H 43 5.260 5.260 4.576 0.684 25124 3026 1 5 . 1 1 43 43 LEU C C 43 177.389 177.389 178.638 -1.249 25124 3027 1 5 . 1 1 43 43 LEU CA C 43 55.446 55.446 58.107 -2.661 25124 3028 1 5 . 1 1 43 43 LEU CB C 43 42.879 42.879 42.111 0.769 25124 3029 1 5 . 1 1 43 43 LEU H H 43 8.289 8.289 8.328 -0.039 25124 3030 1 5 . 1 1 44 44 ALA N N 44 118.995 118.995 118.081 0.914 25124 3031 1 5 . 1 1 44 44 ALA HA H 44 4.232 4.232 4.070 0.162 25124 3032 1 5 . 1 1 44 44 ALA C C 44 178.738 178.738 179.472 -0.734 25124 3033 1 5 . 1 1 44 44 ALA CA C 44 54.353 54.353 54.306 0.047 25124 3034 1 5 . 1 1 44 44 ALA CB C 44 18.674 18.674 19.136 -0.462 25124 3035 1 5 . 1 1 44 44 ALA H H 44 7.307 7.307 7.850 -0.543 25124 3036 1 5 . 1 1 45 45 SER N N 45 108.530 108.530 112.711 -4.181 25124 3037 1 5 . 1 1 45 45 SER HA H 45 4.761 4.761 4.334 0.427 25124 3038 1 5 . 1 1 45 45 SER C C 45 173.344 173.344 175.394 -2.050 25124 3039 1 5 . 1 1 45 45 SER CA C 45 58.682 58.682 60.379 -1.697 25124 3040 1 5 . 1 1 45 45 SER CB C 45 65.446 65.446 63.923 1.523 25124 3041 1 5 . 1 1 45 45 SER H H 45 7.772 7.772 7.903 -0.131 25124 3042 1 5 . 1 1 46 46 LYS N N 46 122.965 122.965 118.347 4.618 25124 3043 1 5 . 1 1 46 46 LYS HA H 46 4.608 4.608 4.590 0.018 25124 3044 1 5 . 1 1 46 46 LYS C C 46 172.815 172.815 174.117 -1.302 25124 3045 1 5 . 1 1 46 46 LYS CA C 46 55.601 55.601 55.641 -0.039 25124 3046 1 5 . 1 1 46 46 LYS CB C 46 36.399 36.399 35.856 0.543 25124 3047 1 5 . 1 1 46 46 LYS H H 46 8.096 8.096 8.639 -0.543 25124 3048 1 5 . 1 1 47 47 THR N N 47 111.524 111.524 113.535 -2.011 25124 3049 1 5 . 1 1 47 47 THR HA H 47 4.307 4.307 4.450 -0.143 25124 3050 1 5 . 1 1 47 47 THR CA C 47 57.896 57.896 58.156 -0.260 25124 3051 1 5 . 1 1 47 47 THR CB C 47 70.570 70.570 69.861 0.709 25124 3052 1 5 . 1 1 47 47 THR H H 47 7.708 7.708 8.146 -0.438 25124 3053 1 5 . 1 1 48 48 PRO HA H 48 3.944 3.944 4.113 -0.169 25124 3054 1 5 . 1 1 48 48 PRO C C 48 173.079 173.079 175.713 -2.634 25124 3055 1 5 . 1 1 48 48 PRO CA C 48 60.922 60.922 62.287 -1.365 25124 3056 1 5 . 1 1 48 48 PRO CB C 48 30.353 30.353 32.293 -1.940 25124 3057 1 5 . 1 1 49 49 ASP N N 49 115.001 115.001 117.449 -2.448 25124 3058 1 5 . 1 1 49 49 ASP HA H 49 4.460 4.460 4.652 -0.192 25124 3059 1 5 . 1 1 49 49 ASP C C 49 175.591 175.591 174.696 0.895 25124 3060 1 5 . 1 1 49 49 ASP CA C 49 56.504 56.504 53.802 2.702 25124 3061 1 5 . 1 1 49 49 ASP CB C 49 42.625 42.625 42.379 0.246 25124 3062 1 5 . 1 1 49 49 ASP H H 49 8.535 8.535 8.165 0.370 25124 3063 1 5 . 1 1 50 50 VAL N N 50 111.832 111.832 114.895 -3.063 25124 3064 1 5 . 1 1 50 50 VAL HA H 50 4.316 4.316 4.464 -0.148 25124 3065 1 5 . 1 1 50 50 VAL C C 50 171.572 171.572 173.163 -1.591 25124 3066 1 5 . 1 1 50 50 VAL CA C 50 60.398 60.398 61.243 -0.845 25124 3067 1 5 . 1 1 50 50 VAL CB C 50 34.650 34.650 34.481 0.169 25124 3068 1 5 . 1 1 50 50 VAL H H 50 7.194 7.194 7.226 -0.032 25124 3069 1 5 . 1 1 51 51 LEU N N 51 127.785 127.785 126.212 1.573 25124 3070 1 5 . 1 1 51 51 LEU HA H 51 5.376 5.376 5.400 -0.024 25124 3071 1 5 . 1 1 51 51 LEU C C 51 173.264 173.264 174.111 -0.847 25124 3072 1 5 . 1 1 51 51 LEU CA C 51 53.137 53.137 54.504 -1.367 25124 3073 1 5 . 1 1 51 51 LEU CB C 51 46.680 46.680 46.171 0.509 25124 3074 1 5 . 1 1 51 51 LEU H H 51 8.049 8.049 8.295 -0.246 25124 3075 1 5 . 1 1 52 52 LEU N N 52 128.943 128.943 124.349 4.594 25124 3076 1 5 . 1 1 52 52 LEU HA H 52 5.312 5.312 5.491 -0.179 25124 3077 1 5 . 1 1 52 52 LEU C C 52 174.692 174.692 175.985 -1.293 25124 3078 1 5 . 1 1 52 52 LEU CA C 52 54.313 54.313 53.586 0.727 25124 3079 1 5 . 1 1 52 52 LEU CB C 52 43.961 43.961 43.900 0.061 25124 3080 1 5 . 1 1 52 52 LEU H H 52 9.278 9.278 8.018 1.260 25124 3081 1 5 . 1 1 53 53 SER N N 53 116.717 116.717 117.096 -0.379 25124 3082 1 5 . 1 1 53 53 SER HA H 53 5.395 5.395 4.889 0.506 25124 3083 1 5 . 1 1 53 53 SER C C 53 173.608 173.608 173.550 0.058 25124 3084 1 5 . 1 1 53 53 SER CA C 53 56.226 56.226 56.405 -0.179 25124 3085 1 5 . 1 1 53 53 SER CB C 53 65.753 65.753 65.957 -0.204 25124 3086 1 5 . 1 1 53 53 SER H H 53 9.256 9.256 8.012 1.244 25124 3087 1 5 . 1 1 54 54 ASP N N 54 127.909 127.909 120.770 7.139 25124 3088 1 5 . 1 1 54 54 ASP HA H 54 5.622 5.622 5.430 0.192 25124 3089 1 5 . 1 1 54 54 ASP C C 54 175.723 175.723 176.338 -0.615 25124 3090 1 5 . 1 1 54 54 ASP CA C 54 53.268 53.268 51.762 1.506 25124 3091 1 5 . 1 1 54 54 ASP CB C 54 44.386 44.386 43.756 0.630 25124 3092 1 5 . 1 1 54 54 ASP H H 54 8.219 8.219 8.336 -0.117 25124 3093 1 5 . 1 1 55 55 ILE N N 55 117.015 117.015 118.191 -1.176 25124 3094 1 5 . 1 1 55 55 ILE HA H 55 4.116 4.116 4.250 -0.134 25124 3095 1 5 . 1 1 55 55 ILE C C 55 176.913 176.913 176.867 0.046 25124 3096 1 5 . 1 1 55 55 ILE CA C 55 65.290 65.290 61.056 4.234 25124 3097 1 5 . 1 1 55 55 ILE CB C 55 38.487 38.487 38.155 0.332 25124 3098 1 5 . 1 1 55 55 ILE H H 55 7.812 7.812 7.779 0.033 25124 3099 1 5 . 1 1 56 56 ARG N N 56 117.365 117.365 123.090 -5.725 25124 3100 1 5 . 1 1 56 56 ARG HA H 56 4.379 4.379 4.100 0.279 25124 3101 1 5 . 1 1 56 56 ARG C C 56 172.788 172.788 175.113 -2.325 25124 3102 1 5 . 1 1 56 56 ARG CA C 56 57.034 57.034 56.545 0.489 25124 3103 1 5 . 1 1 56 56 ARG CB C 56 27.600 27.600 28.083 -0.483 25124 3104 1 5 . 1 1 56 56 ARG H H 56 8.991 8.991 7.751 1.240 25124 3105 1 5 . 1 1 57 57 MET N N 57 129.539 129.539 123.594 5.945 25124 3106 1 5 . 1 1 57 57 MET HA H 57 4.767 4.767 4.947 -0.180 25124 3107 1 5 . 1 1 57 57 MET CA C 57 53.641 53.641 53.796 -0.155 25124 3108 1 5 . 1 1 57 57 MET CB C 57 36.484 36.484 36.113 0.371 25124 3109 1 5 . 1 1 57 57 MET H H 57 7.501 7.501 7.896 -0.395 25124 3110 1 5 . 1 1 58 58 PRO HA H 58 4.379 4.379 4.433 -0.054 25124 3111 1 5 . 1 1 58 58 PRO C C 58 177.495 177.495 177.957 -0.462 25124 3112 1 5 . 1 1 58 58 PRO CA C 58 63.104 63.104 64.292 -1.188 25124 3113 1 5 . 1 1 58 58 PRO CB C 58 31.922 31.922 32.242 -0.320 25124 3114 1 5 . 1 1 59 59 GLY N N 59 112.312 112.312 108.252 4.060 25124 3115 1 5 . 1 1 59 59 GLY C C 59 173.793 173.793 174.930 -1.137 25124 3116 1 5 . 1 1 59 59 GLY CA C 59 46.430 46.430 46.468 -0.038 25124 3117 1 5 . 1 1 59 59 GLY H H 59 8.656 8.656 8.455 0.201 25124 3118 1 5 . 1 1 60 60 MET N N 60 124.343 124.343 117.983 6.360 25124 3119 1 5 . 1 1 60 60 MET HA H 60 4.344 4.344 4.607 -0.263 25124 3120 1 5 . 1 1 60 60 MET C C 60 174.190 174.190 175.180 -0.990 25124 3121 1 5 . 1 1 60 60 MET CA C 60 55.871 55.871 55.695 0.176 25124 3122 1 5 . 1 1 60 60 MET CB C 60 34.955 34.955 34.377 0.578 25124 3123 1 5 . 1 1 60 60 MET H H 60 7.778 7.778 8.126 -0.348 25124 3124 1 5 . 1 1 61 61 ASP N N 61 124.993 124.993 115.078 9.915 25124 3125 1 5 . 1 1 61 61 ASP HA H 61 4.870 4.870 5.009 -0.139 25124 3126 1 5 . 1 1 61 61 ASP C C 61 176.966 176.966 176.358 0.608 25124 3127 1 5 . 1 1 61 61 ASP CA C 61 53.490 53.490 54.083 -0.593 25124 3128 1 5 . 1 1 61 61 ASP CB C 61 42.347 42.347 41.915 0.432 25124 3129 1 5 . 1 1 61 61 ASP H H 61 8.378 8.378 7.891 0.487 25124 3130 1 5 . 1 1 62 62 GLY N N 62 105.163 105.163 106.785 -1.622 25124 3131 1 5 . 1 1 62 62 GLY C C 62 175.935 175.935 175.788 0.147 25124 3132 1 5 . 1 1 62 62 GLY CA C 62 46.755 46.755 45.981 0.774 25124 3133 1 5 . 1 1 62 62 GLY H H 62 10.153 10.153 8.521 1.632 25124 3134 1 5 . 1 1 63 63 LEU N N 63 120.509 120.509 120.205 0.304 25124 3135 1 5 . 1 1 63 63 LEU HA H 63 4.293 4.293 4.123 0.170 25124 3136 1 5 . 1 1 63 63 LEU C C 63 179.293 179.293 178.183 1.110 25124 3137 1 5 . 1 1 63 63 LEU CA C 63 57.148 57.148 56.435 0.713 25124 3138 1 5 . 1 1 63 63 LEU CB C 63 40.053 40.053 41.669 -1.616 25124 3139 1 5 . 1 1 63 63 LEU H H 63 8.119 8.119 7.843 0.276 25124 3140 1 5 . 1 1 64 64 ALA N N 64 126.234 126.234 121.722 4.512 25124 3141 1 5 . 1 1 64 64 ALA HA H 64 4.112 4.112 4.088 0.024 25124 3142 1 5 . 1 1 64 64 ALA C C 64 181.223 181.223 178.498 2.725 25124 3143 1 5 . 1 1 64 64 ALA CA C 64 54.802 54.802 54.486 0.316 25124 3144 1 5 . 1 1 64 64 ALA CB C 64 18.133 18.133 18.340 -0.207 25124 3145 1 5 . 1 1 64 64 ALA H H 64 8.303 8.303 7.936 0.367 25124 3146 1 5 . 1 1 65 65 LEU N N 65 120.067 120.067 118.344 1.723 25124 3147 1 5 . 1 1 65 65 LEU HA H 65 4.044 4.044 4.252 -0.208 25124 3148 1 5 . 1 1 65 65 LEU C C 65 177.548 177.548 178.312 -0.764 25124 3149 1 5 . 1 1 65 65 LEU CA C 65 58.197 58.197 56.842 1.355 25124 3150 1 5 . 1 1 65 65 LEU CB C 65 41.727 41.727 42.709 -0.982 25124 3151 1 5 . 1 1 65 65 LEU H H 65 8.398 8.398 7.851 0.547 25124 3152 1 5 . 1 1 66 66 LEU N N 66 120.890 120.890 119.140 1.750 25124 3153 1 5 . 1 1 66 66 LEU HA H 66 3.848 3.848 4.044 -0.196 25124 3154 1 5 . 1 1 66 66 LEU C C 66 177.230 177.230 178.212 -0.982 25124 3155 1 5 . 1 1 66 66 LEU CA C 66 58.736 58.736 57.127 1.609 25124 3156 1 5 . 1 1 66 66 LEU CB C 66 41.803 41.803 41.849 -0.045 25124 3157 1 5 . 1 1 66 66 LEU H H 66 8.203 8.203 7.655 0.548 25124 3158 1 5 . 1 1 67 67 LYS N N 67 116.919 116.919 117.892 -0.973 25124 3159 1 5 . 1 1 67 67 LYS HA H 67 4.004 4.004 3.982 0.022 25124 3160 1 5 . 1 1 67 67 LYS C C 67 179.452 179.452 178.357 1.095 25124 3161 1 5 . 1 1 67 67 LYS CA C 67 59.733 59.733 58.538 1.195 25124 3162 1 5 . 1 1 67 67 LYS CB C 67 32.415 32.415 32.074 0.341 25124 3163 1 5 . 1 1 67 67 LYS H H 67 7.667 7.667 7.616 0.051 25124 3164 1 5 . 1 1 68 68 GLN N N 68 116.851 116.851 118.765 -1.914 25124 3165 1 5 . 1 1 68 68 GLN HA H 68 4.046 4.046 4.032 0.014 25124 3166 1 5 . 1 1 68 68 GLN C C 68 179.319 179.319 178.212 1.107 25124 3167 1 5 . 1 1 68 68 GLN CA C 68 58.820 58.820 58.983 -0.163 25124 3168 1 5 . 1 1 68 68 GLN CB C 68 28.660 28.660 28.914 -0.254 25124 3169 1 5 . 1 1 68 68 GLN H H 68 7.677 7.677 7.397 0.280 25124 3170 1 5 . 1 1 69 69 ILE N N 69 120.670 120.670 115.226 5.444 25124 3171 1 5 . 1 1 69 69 ILE HA H 69 3.564 3.564 3.243 0.321 25124 3172 1 5 . 1 1 69 69 ILE C C 69 177.786 177.786 178.020 -0.234 25124 3173 1 5 . 1 1 69 69 ILE CA C 69 65.381 65.381 63.791 1.590 25124 3174 1 5 . 1 1 69 69 ILE CB C 69 37.186 37.186 36.919 0.267 25124 3175 1 5 . 1 1 69 69 ILE H H 69 8.918 8.918 7.489 1.429 25124 3176 1 5 . 1 1 70 70 LYS N N 70 118.002 118.002 119.438 -1.436 25124 3177 1 5 . 1 1 70 70 LYS HA H 70 3.936 3.936 3.931 0.005 25124 3178 1 5 . 1 1 70 70 LYS C C 70 177.944 177.944 178.025 -0.081 25124 3179 1 5 . 1 1 70 70 LYS CA C 70 57.351 57.351 59.071 -1.720 25124 3180 1 5 . 1 1 70 70 LYS CB C 70 31.440 31.440 31.939 -0.499 25124 3181 1 5 . 1 1 70 70 LYS H H 70 8.592 8.592 7.575 1.017 25124 3182 1 5 . 1 1 71 71 GLN N N 71 114.891 114.891 114.873 0.018 25124 3183 1 5 . 1 1 71 71 GLN HA H 71 4.063 4.063 4.231 -0.168 25124 3184 1 5 . 1 1 71 71 GLN C C 71 177.019 177.019 177.901 -0.882 25124 3185 1 5 . 1 1 71 71 GLN CA C 71 58.007 58.007 56.917 1.090 25124 3186 1 5 . 1 1 71 71 GLN CB C 71 29.168 29.168 29.421 -0.253 25124 3187 1 5 . 1 1 71 71 GLN H H 71 7.266 7.266 7.761 -0.495 25124 3188 1 5 . 1 1 72 72 ARG N N 72 116.364 116.364 118.601 -2.237 25124 3189 1 5 . 1 1 72 72 ARG HA H 72 4.130 4.130 4.251 -0.121 25124 3190 1 5 . 1 1 72 72 ARG C C 72 175.803 175.803 176.556 -0.753 25124 3191 1 5 . 1 1 72 72 ARG CA C 72 57.174 57.174 56.849 0.325 25124 3192 1 5 . 1 1 72 72 ARG CB C 72 32.638 32.638 31.286 1.352 25124 3193 1 5 . 1 1 72 72 ARG H H 72 7.254 7.254 8.132 -0.878 25124 3194 1 5 . 1 1 73 73 HIS N N 73 116.981 116.981 112.415 4.566 25124 3195 1 5 . 1 1 73 73 HIS HA H 73 4.994 4.994 5.018 -0.024 25124 3196 1 5 . 1 1 73 73 HIS CA C 73 53.252 53.252 53.519 -0.267 25124 3197 1 5 . 1 1 73 73 HIS CB C 73 31.026 31.026 29.436 1.590 25124 3198 1 5 . 1 1 73 73 HIS H H 73 8.828 8.828 7.518 1.310 25124 3199 1 5 . 1 1 74 74 PRO HA H 74 4.435 4.435 4.324 0.111 25124 3200 1 5 . 1 1 74 74 PRO C C 74 178.156 178.156 176.615 1.541 25124 3201 1 5 . 1 1 74 74 PRO CA C 74 65.284 65.284 63.915 1.369 25124 3202 1 5 . 1 1 74 74 PRO CB C 74 32.130 32.130 32.143 -0.013 25124 3203 1 5 . 1 1 75 75 MET N N 75 114.676 114.676 117.062 -2.386 25124 3204 1 5 . 1 1 75 75 MET HA H 75 4.587 4.587 4.676 -0.089 25124 3205 1 5 . 1 1 75 75 MET C C 75 176.067 176.067 175.237 0.830 25124 3206 1 5 . 1 1 75 75 MET CA C 75 54.304 54.304 54.902 -0.598 25124 3207 1 5 . 1 1 75 75 MET CB C 75 31.623 31.623 31.857 -0.234 25124 3208 1 5 . 1 1 75 75 MET H H 75 8.648 8.648 8.104 0.544 25124 3209 1 5 . 1 1 76 76 LEU N N 76 125.720 125.720 122.462 3.258 25124 3210 1 5 . 1 1 76 76 LEU HA H 76 4.293 4.293 4.484 -0.191 25124 3211 1 5 . 1 1 76 76 LEU CA C 76 53.472 53.472 51.105 2.367 25124 3212 1 5 . 1 1 76 76 LEU CB C 76 43.540 43.540 45.517 -1.977 25124 3213 1 5 . 1 1 76 76 LEU H H 76 7.342 7.342 7.366 -0.024 25124 3214 1 5 . 1 1 77 77 PRO HA H 77 4.440 4.440 4.485 -0.045 25124 3215 1 5 . 1 1 77 77 PRO C C 77 175.062 175.062 175.381 -0.319 25124 3216 1 5 . 1 1 77 77 PRO CA C 77 62.841 62.841 62.817 0.024 25124 3217 1 5 . 1 1 77 77 PRO CB C 77 31.903 31.903 31.508 0.395 25124 3218 1 5 . 1 1 78 78 VAL N N 78 123.116 123.116 122.379 0.737 25124 3219 1 5 . 1 1 78 78 VAL HA H 78 5.093 5.093 4.363 0.730 25124 3220 1 5 . 1 1 78 78 VAL C C 78 175.776 175.776 174.721 1.055 25124 3221 1 5 . 1 1 78 78 VAL CA C 78 60.083 60.083 60.784 -0.701 25124 3222 1 5 . 1 1 78 78 VAL CB C 78 34.245 34.245 35.735 -1.490 25124 3223 1 5 . 1 1 78 78 VAL H H 78 8.369 8.369 8.112 0.257 25124 3224 1 5 . 1 1 79 79 ILE N N 79 129.166 129.166 122.795 6.371 25124 3225 1 5 . 1 1 79 79 ILE HA H 79 4.499 4.499 4.533 -0.034 25124 3226 1 5 . 1 1 79 79 ILE C C 79 174.295 174.295 175.010 -0.715 25124 3227 1 5 . 1 1 79 79 ILE CA C 79 60.030 60.030 60.197 -0.167 25124 3228 1 5 . 1 1 79 79 ILE CB C 79 40.222 40.222 41.511 -1.289 25124 3229 1 5 . 1 1 79 79 ILE H H 79 9.436 9.436 8.085 1.351 25124 3230 1 5 . 1 1 80 80 ILE N N 80 128.234 128.234 125.871 2.363 25124 3231 1 5 . 1 1 80 80 ILE HA H 80 5.253 5.253 4.377 0.876 25124 3232 1 5 . 1 1 80 80 ILE C C 80 173.449 173.449 174.291 -0.842 25124 3233 1 5 . 1 1 80 80 ILE CA C 80 56.265 56.265 59.741 -3.476 25124 3234 1 5 . 1 1 80 80 ILE CB C 80 38.176 38.176 37.085 1.091 25124 3235 1 5 . 1 1 80 80 ILE H H 80 7.920 7.920 8.252 -0.332 25124 3236 1 5 . 1 1 81 81 MET N N 81 124.079 124.079 129.043 -4.964 25124 3237 1 5 . 1 1 81 81 MET HA H 81 5.489 5.489 4.619 0.870 25124 3238 1 5 . 1 1 81 81 MET C C 81 173.820 173.820 173.857 -0.037 25124 3239 1 5 . 1 1 81 81 MET CA C 81 52.889 52.889 54.269 -1.380 25124 3240 1 5 . 1 1 81 81 MET CB C 81 36.663 36.663 34.583 2.080 25124 3241 1 5 . 1 1 81 81 MET H H 81 9.028 9.028 7.963 1.065 25124 3242 1 5 . 1 1 82 82 THR N N 82 108.434 108.434 119.222 -10.788 25124 3243 1 5 . 1 1 82 82 THR HA H 82 5.134 5.134 4.494 0.640 25124 3244 1 5 . 1 1 82 82 THR C C 82 172.550 172.550 172.549 0.001 25124 3245 1 5 . 1 1 82 82 THR CA C 82 60.642 60.642 61.361 -0.719 25124 3246 1 5 . 1 1 82 82 THR CB C 82 68.843 68.843 70.866 -2.023 25124 3247 1 5 . 1 1 82 82 THR H H 82 7.098 7.098 8.085 -0.987 25124 3248 1 5 . 1 1 83 83 ALA N N 83 128.991 128.991 124.863 4.128 25124 3249 1 5 . 1 1 83 83 ALA HA H 83 4.678 4.678 4.765 -0.087 25124 3250 1 5 . 1 1 83 83 ALA C C 83 177.812 177.812 177.943 -0.131 25124 3251 1 5 . 1 1 83 83 ALA CA C 83 52.457 52.457 50.991 1.466 25124 3252 1 5 . 1 1 83 83 ALA CB C 83 19.396 19.396 20.437 -1.041 25124 3253 1 5 . 1 1 83 83 ALA H H 83 8.590 8.590 8.298 0.292 25124 3254 1 5 . 1 1 84 84 HIS N N 84 121.904 121.904 115.582 6.322 25124 3255 1 5 . 1 1 84 84 HIS HA H 84 4.576 4.576 4.289 0.287 25124 3256 1 5 . 1 1 84 84 HIS C C 84 175.512 175.512 175.727 -0.215 25124 3257 1 5 . 1 1 84 84 HIS CA C 84 56.674 56.674 57.723 -1.049 25124 3258 1 5 . 1 1 84 84 HIS CB C 84 29.589 29.589 29.581 0.008 25124 3259 1 5 . 1 1 84 84 HIS H H 84 8.865 8.865 8.884 -0.019 25124 3260 1 5 . 1 1 85 85 SER N N 85 114.679 114.679 115.946 -1.267 25124 3261 1 5 . 1 1 85 85 SER HA H 85 4.303 4.303 3.951 0.352 25124 3262 1 5 . 1 1 85 85 SER C C 85 174.560 174.560 174.231 0.329 25124 3263 1 5 . 1 1 85 85 SER CA C 85 58.970 58.970 59.981 -1.011 25124 3264 1 5 . 1 1 85 85 SER CB C 85 62.829 62.829 62.906 -0.077 25124 3265 1 5 . 1 1 85 85 SER H H 85 8.016 8.016 7.773 0.243 25124 3266 1 5 . 1 1 86 86 ASP N N 86 122.325 122.325 123.573 -1.248 25124 3267 1 5 . 1 1 86 86 ASP HA H 86 4.761 4.761 4.297 0.464 25124 3268 1 5 . 1 1 86 86 ASP C C 86 176.094 176.094 177.210 -1.116 25124 3269 1 5 . 1 1 86 86 ASP CA C 86 53.627 53.627 55.517 -1.889 25124 3270 1 5 . 1 1 86 86 ASP CB C 86 40.942 40.942 40.517 0.425 25124 3271 1 5 . 1 1 86 86 ASP H H 86 8.054 8.054 8.560 -0.506 25124 3272 1 5 . 1 1 87 87 LEU N N 87 122.041 122.041 120.285 1.756 25124 3273 1 5 . 1 1 87 87 LEU HA H 87 4.069 4.069 4.057 0.012 25124 3274 1 5 . 1 1 87 87 LEU C C 87 177.892 177.892 177.595 0.297 25124 3275 1 5 . 1 1 87 87 LEU CA C 87 57.182 57.182 57.398 -0.216 25124 3276 1 5 . 1 1 87 87 LEU CB C 87 42.015 42.015 41.817 0.198 25124 3277 1 5 . 1 1 87 87 LEU H H 87 8.005 8.005 7.897 0.108 25124 3278 1 5 . 1 1 88 88 ASP N N 88 118.050 118.050 120.383 -2.333 25124 3279 1 5 . 1 1 88 88 ASP HA H 88 4.370 4.370 4.264 0.106 25124 3280 1 5 . 1 1 88 88 ASP C C 88 178.103 178.103 178.014 0.089 25124 3281 1 5 . 1 1 88 88 ASP CA C 88 56.342 56.342 57.687 -1.345 25124 3282 1 5 . 1 1 88 88 ASP CB C 88 40.280 40.280 40.056 0.224 25124 3283 1 5 . 1 1 88 88 ASP H H 88 8.243 8.243 8.566 -0.323 25124 3284 1 5 . 1 1 89 89 ALA N N 89 122.780 122.780 121.713 1.067 25124 3285 1 5 . 1 1 89 89 ALA HA H 89 4.038 4.038 4.115 -0.077 25124 3286 1 5 . 1 1 89 89 ALA C C 89 178.526 178.526 178.579 -0.053 25124 3287 1 5 . 1 1 89 89 ALA CA C 89 54.655 54.655 54.272 0.383 25124 3288 1 5 . 1 1 89 89 ALA CB C 89 18.809 18.809 18.310 0.499 25124 3289 1 5 . 1 1 89 89 ALA H H 89 7.890 7.890 7.774 0.116 25124 3290 1 5 . 1 1 90 90 ALA N N 90 120.040 120.040 120.493 -0.453 25124 3291 1 5 . 1 1 90 90 ALA HA H 90 3.254 3.254 3.769 -0.515 25124 3292 1 5 . 1 1 90 90 ALA C C 90 178.976 178.976 178.943 0.033 25124 3293 1 5 . 1 1 90 90 ALA CA C 90 55.050 55.050 54.465 0.585 25124 3294 1 5 . 1 1 90 90 ALA CB C 90 17.725 17.725 18.161 -0.436 25124 3295 1 5 . 1 1 90 90 ALA H H 90 7.513 7.513 7.776 -0.263 25124 3296 1 5 . 1 1 91 91 VAL N N 91 116.635 116.635 117.729 -1.094 25124 3297 1 5 . 1 1 91 91 VAL HA H 91 3.637 3.637 3.833 -0.196 25124 3298 1 5 . 1 1 91 91 VAL C C 91 178.632 178.632 177.441 1.191 25124 3299 1 5 . 1 1 91 91 VAL CA C 91 65.971 65.971 65.456 0.515 25124 3300 1 5 . 1 1 91 91 VAL CB C 91 31.623 31.623 31.732 -0.109 25124 3301 1 5 . 1 1 91 91 VAL H H 91 7.877 7.877 7.287 0.590 25124 3302 1 5 . 1 1 92 92 SER N N 92 115.439 115.439 116.386 -0.947 25124 3303 1 5 . 1 1 92 92 SER HA H 92 4.215 4.215 3.998 0.217 25124 3304 1 5 . 1 1 92 92 SER C C 92 175.961 175.961 176.633 -0.672 25124 3305 1 5 . 1 1 92 92 SER CA C 92 61.401 61.401 61.623 -0.222 25124 3306 1 5 . 1 1 92 92 SER CB C 92 62.966 62.966 63.057 -0.091 25124 3307 1 5 . 1 1 92 92 SER H H 92 7.912 7.912 7.562 0.350 25124 3308 1 5 . 1 1 93 93 ALA N N 93 122.647 122.647 124.010 -1.363 25124 3309 1 5 . 1 1 93 93 ALA HA H 93 3.786 3.786 3.968 -0.182 25124 3310 1 5 . 1 1 93 93 ALA C C 93 179.293 179.293 179.678 -0.385 25124 3311 1 5 . 1 1 93 93 ALA CA C 93 55.172 55.172 54.755 0.417 25124 3312 1 5 . 1 1 93 93 ALA CB C 93 17.161 17.161 17.786 -0.625 25124 3313 1 5 . 1 1 93 93 ALA H H 93 8.199 8.199 8.116 0.083 25124 3314 1 5 . 1 1 94 94 TYR N N 94 117.796 117.796 118.500 -0.704 25124 3315 1 5 . 1 1 94 94 TYR HA H 94 4.283 4.283 4.122 0.161 25124 3316 1 5 . 1 1 94 94 TYR C C 94 179.954 179.954 178.506 1.448 25124 3317 1 5 . 1 1 94 94 TYR CA C 94 61.216 61.216 60.337 0.879 25124 3318 1 5 . 1 1 94 94 TYR CB C 94 37.716 37.716 37.596 0.120 25124 3319 1 5 . 1 1 94 94 TYR H H 94 8.065 8.065 7.451 0.614 25124 3320 1 5 . 1 1 95 95 GLN N N 95 120.057 120.057 116.602 3.455 25124 3321 1 5 . 1 1 95 95 GLN HA H 95 4.005 4.005 4.066 -0.061 25124 3322 1 5 . 1 1 95 95 GLN C C 95 177.680 177.680 178.211 -0.531 25124 3323 1 5 . 1 1 95 95 GLN CA C 95 58.471 58.471 58.000 0.471 25124 3324 1 5 . 1 1 95 95 GLN CB C 95 28.334 28.334 28.567 -0.233 25124 3325 1 5 . 1 1 95 95 GLN H H 95 8.513 8.513 7.612 0.901 25124 3326 1 5 . 1 1 96 96 GLN N N 96 115.323 115.323 117.232 -1.909 25124 3327 1 5 . 1 1 96 96 GLN HA H 96 4.321 4.321 4.297 0.024 25124 3328 1 5 . 1 1 96 96 GLN C C 96 175.538 175.538 176.525 -0.987 25124 3329 1 5 . 1 1 96 96 GLN CA C 96 55.379 55.379 56.193 -0.813 25124 3330 1 5 . 1 1 96 96 GLN CB C 96 28.915 28.915 29.706 -0.791 25124 3331 1 5 . 1 1 96 96 GLN H H 96 7.774 7.774 7.761 0.013 25124 3332 1 5 . 1 1 97 97 GLY N N 97 104.173 104.173 105.673 -1.500 25124 3333 1 5 . 1 1 97 97 GLY C C 97 175.168 175.168 173.983 1.185 25124 3334 1 5 . 1 1 97 97 GLY CA C 97 45.491 45.491 44.697 0.794 25124 3335 1 5 . 1 1 97 97 GLY H H 97 7.576 7.576 7.660 -0.084 25124 3336 1 5 . 1 1 98 98 ALA N N 98 123.484 123.484 121.554 1.930 25124 3337 1 5 . 1 1 98 98 ALA HA H 98 4.266 4.266 4.306 -0.040 25124 3338 1 5 . 1 1 98 98 ALA C C 98 176.067 176.067 176.580 -0.513 25124 3339 1 5 . 1 1 98 98 ALA CA C 98 53.008 53.008 52.554 0.454 25124 3340 1 5 . 1 1 98 98 ALA CB C 98 18.556 18.556 19.950 -1.394 25124 3341 1 5 . 1 1 98 98 ALA H H 98 8.358 8.358 7.771 0.587 25124 3342 1 5 . 1 1 99 99 PHE N N 99 123.551 123.551 120.974 2.577 25124 3343 1 5 . 1 1 99 99 PHE HA H 99 4.259 4.259 4.634 -0.375 25124 3344 1 5 . 1 1 99 99 PHE C C 99 175.432 175.432 175.509 -0.077 25124 3345 1 5 . 1 1 99 99 PHE CA C 99 60.274 60.274 59.904 0.370 25124 3346 1 5 . 1 1 99 99 PHE CB C 99 40.375 40.375 41.257 -0.882 25124 3347 1 5 . 1 1 99 99 PHE H H 99 9.477 9.477 8.313 1.164 25124 3348 1 5 . 1 1 100 100 ASP N N 100 110.678 110.678 114.644 -3.966 25124 3349 1 5 . 1 1 100 100 ASP HA H 100 4.547 4.547 5.018 -0.471 25124 3350 1 5 . 1 1 100 100 ASP C C 100 173.053 173.053 173.787 -0.734 25124 3351 1 5 . 1 1 100 100 ASP CA C 100 52.527 52.527 54.069 -1.542 25124 3352 1 5 . 1 1 100 100 ASP CB C 100 44.789 44.789 43.772 1.017 25124 3353 1 5 . 1 1 100 100 ASP H H 100 7.683 7.683 8.193 -0.510 25124 3354 1 5 . 1 1 101 101 TYR N N 101 122.174 122.174 121.668 0.506 25124 3355 1 5 . 1 1 101 101 TYR HA H 101 5.425 5.425 5.173 0.252 25124 3356 1 5 . 1 1 101 101 TYR C C 101 172.550 172.550 174.492 -1.942 25124 3357 1 5 . 1 1 101 101 TYR CA C 101 55.865 55.865 56.650 -0.785 25124 3358 1 5 . 1 1 101 101 TYR CB C 101 41.760 41.760 39.341 2.419 25124 3359 1 5 . 1 1 101 101 TYR H H 101 9.874 9.874 8.728 1.146 25124 3360 1 5 . 1 1 102 102 LEU N N 102 129.337 129.337 130.743 -1.406 25124 3361 1 5 . 1 1 102 102 LEU HA H 102 4.677 4.677 4.605 0.072 25124 3362 1 5 . 1 1 102 102 LEU CA C 102 50.418 50.418 50.513 -0.095 25124 3363 1 5 . 1 1 102 102 LEU CB C 102 45.066 45.066 42.340 2.726 25124 3364 1 5 . 1 1 102 102 LEU H H 102 8.974 8.974 7.730 1.244 25124 3365 1 5 . 1 1 103 103 PRO HA H 103 4.552 4.552 4.315 0.237 25124 3366 1 5 . 1 1 103 103 PRO C C 103 176.067 176.067 175.443 0.624 25124 3367 1 5 . 1 1 103 103 PRO CA C 103 61.951 61.951 62.346 -0.395 25124 3368 1 5 . 1 1 103 103 PRO CB C 103 31.829 31.829 32.541 -0.712 25124 3369 1 5 . 1 1 104 104 LYS N N 104 118.403 118.403 116.276 2.127 25124 3370 1 5 . 1 1 104 104 LYS HA H 104 4.459 4.459 5.028 -0.569 25124 3371 1 5 . 1 1 104 104 LYS CA C 104 53.204 53.204 53.492 -0.288 25124 3372 1 5 . 1 1 104 104 LYS CB C 104 34.500 34.500 32.177 2.323 25124 3373 1 5 . 1 1 104 104 LYS H H 104 8.013 8.013 8.458 -0.445 25124 3374 1 5 . 1 1 105 105 PRO HA H 105 4.258 4.258 4.625 -0.367 25124 3375 1 5 . 1 1 105 105 PRO C C 105 174.930 174.930 175.842 -0.912 25124 3376 1 5 . 1 1 105 105 PRO CA C 105 62.213 62.213 63.281 -1.067 25124 3377 1 5 . 1 1 105 105 PRO CB C 105 34.151 34.151 32.011 2.140 25124 3378 1 5 . 1 1 106 106 PHE N N 106 116.796 116.796 118.083 -1.287 25124 3379 1 5 . 1 1 106 106 PHE HA H 106 5.169 5.169 4.704 0.465 25124 3380 1 5 . 1 1 106 106 PHE C C 106 175.194 175.194 173.841 1.353 25124 3381 1 5 . 1 1 106 106 PHE CA C 106 53.244 53.244 55.372 -2.128 25124 3382 1 5 . 1 1 106 106 PHE CB C 106 40.477 40.477 40.709 -0.231 25124 3383 1 5 . 1 1 106 106 PHE H H 106 7.399 7.399 7.440 -0.041 25124 3384 1 5 . 1 1 107 107 ASP N N 107 122.212 122.212 123.243 -1.031 25124 3385 1 5 . 1 1 107 107 ASP HA H 107 4.823 4.823 4.838 -0.015 25124 3386 1 5 . 1 1 107 107 ASP C C 107 177.812 177.812 177.066 0.746 25124 3387 1 5 . 1 1 107 107 ASP CA C 107 53.392 53.392 53.736 -0.344 25124 3388 1 5 . 1 1 107 107 ASP CB C 107 42.455 42.455 41.603 0.852 25124 3389 1 5 . 1 1 107 107 ASP H H 107 9.047 9.047 8.590 0.457 25124 3390 1 5 . 1 1 108 108 ILE N N 108 127.963 127.963 122.357 5.606 25124 3391 1 5 . 1 1 108 108 ILE HA H 108 3.949 3.949 3.821 0.128 25124 3392 1 5 . 1 1 108 108 ILE C C 108 176.226 176.226 176.732 -0.506 25124 3393 1 5 . 1 1 108 108 ILE CA C 108 63.105 63.105 64.123 -1.018 25124 3394 1 5 . 1 1 108 108 ILE CB C 108 37.665 37.665 37.484 0.181 25124 3395 1 5 . 1 1 108 108 ILE H H 108 8.898 8.898 8.346 0.552 25124 3396 1 5 . 1 1 109 109 ASP N N 109 119.804 119.804 121.145 -1.341 25124 3397 1 5 . 1 1 109 109 ASP HA H 109 4.393 4.393 4.304 0.089 25124 3398 1 5 . 1 1 109 109 ASP C C 109 179.848 179.848 178.513 1.335 25124 3399 1 5 . 1 1 109 109 ASP CA C 109 57.483 57.483 58.397 -0.914 25124 3400 1 5 . 1 1 109 109 ASP CB C 109 39.986 39.986 40.510 -0.524 25124 3401 1 5 . 1 1 109 109 ASP H H 109 8.098 8.098 8.508 -0.410 25124 3402 1 5 . 1 1 110 110 GLU N N 110 121.667 121.667 118.522 3.145 25124 3403 1 5 . 1 1 110 110 GLU HA H 110 4.085 4.085 4.356 -0.271 25124 3404 1 5 . 1 1 110 110 GLU C C 110 178.976 178.976 178.195 0.781 25124 3405 1 5 . 1 1 110 110 GLU CA C 110 58.790 58.790 58.298 0.492 25124 3406 1 5 . 1 1 110 110 GLU CB C 110 29.330 29.330 29.656 -0.326 25124 3407 1 5 . 1 1 110 110 GLU H H 110 8.059 8.059 8.371 -0.312 25124 3408 1 5 . 1 1 111 111 ALA N N 111 122.208 122.208 123.505 -1.297 25124 3409 1 5 . 1 1 111 111 ALA HA H 111 3.758 3.758 4.184 -0.426 25124 3410 1 5 . 1 1 111 111 ALA C C 111 178.605 178.605 179.548 -0.943 25124 3411 1 5 . 1 1 111 111 ALA CA C 111 55.320 55.320 55.202 0.118 25124 3412 1 5 . 1 1 111 111 ALA CB C 111 18.174 18.174 18.397 -0.223 25124 3413 1 5 . 1 1 111 111 ALA H H 111 7.903 7.903 7.481 0.422 25124 3414 1 5 . 1 1 112 112 VAL N N 112 116.429 116.429 117.740 -1.311 25124 3415 1 5 . 1 1 112 112 VAL HA H 112 3.194 3.194 3.628 -0.434 25124 3416 1 5 . 1 1 112 112 VAL C C 112 177.230 177.230 178.075 -0.845 25124 3417 1 5 . 1 1 112 112 VAL CA C 112 67.154 67.154 67.134 0.020 25124 3418 1 5 . 1 1 112 112 VAL CB C 112 31.538 31.538 31.268 0.270 25124 3419 1 5 . 1 1 112 112 VAL H H 112 8.032 8.032 8.337 -0.305 25124 3420 1 5 . 1 1 113 113 ALA N N 113 120.198 120.198 120.703 -0.505 25124 3421 1 5 . 1 1 113 113 ALA HA H 113 4.159 4.159 4.268 -0.109 25124 3422 1 5 . 1 1 113 113 ALA C C 113 180.589 180.589 179.369 1.220 25124 3423 1 5 . 1 1 113 113 ALA CA C 113 54.902 54.902 54.352 0.550 25124 3424 1 5 . 1 1 113 113 ALA CB C 113 17.980 17.980 18.750 -0.770 25124 3425 1 5 . 1 1 113 113 ALA H H 113 7.723 7.723 7.570 0.153 25124 3426 1 5 . 1 1 114 114 LEU N N 114 120.742 120.742 120.278 0.464 25124 3427 1 5 . 1 1 114 114 LEU HA H 114 4.102 4.102 4.226 -0.124 25124 3428 1 5 . 1 1 114 114 LEU C C 114 178.605 178.605 178.315 0.290 25124 3429 1 5 . 1 1 114 114 LEU CA C 114 58.181 58.181 57.342 0.839 25124 3430 1 5 . 1 1 114 114 LEU CB C 114 42.032 42.032 42.105 -0.073 25124 3431 1 5 . 1 1 114 114 LEU H H 114 7.928 7.928 7.775 0.153 25124 3432 1 5 . 1 1 115 115 VAL N N 115 119.478 119.478 119.399 0.079 25124 3433 1 5 . 1 1 115 115 VAL HA H 115 3.250 3.250 3.601 -0.351 25124 3434 1 5 . 1 1 115 115 VAL C C 115 177.548 177.548 178.135 -0.587 25124 3435 1 5 . 1 1 115 115 VAL CA C 115 67.168 67.168 66.082 1.086 25124 3436 1 5 . 1 1 115 115 VAL CB C 115 30.760 30.760 30.955 -0.195 25124 3437 1 5 . 1 1 115 115 VAL H H 115 7.846 7.846 8.261 -0.415 25124 3438 1 5 . 1 1 116 116 GLU N N 116 117.570 117.570 117.714 -0.144 25124 3439 1 5 . 1 1 116 116 GLU HA H 116 3.809 3.809 4.149 -0.340 25124 3440 1 5 . 1 1 116 116 GLU C C 116 179.557 179.557 178.937 0.620 25124 3441 1 5 . 1 1 116 116 GLU CA C 116 59.974 59.974 58.560 1.414 25124 3442 1 5 . 1 1 116 116 GLU CB C 116 29.084 29.084 29.023 0.062 25124 3443 1 5 . 1 1 116 116 GLU H H 116 8.462 8.462 8.008 0.454 25124 3444 1 5 . 1 1 117 117 ARG N N 117 120.263 120.263 120.142 0.121 25124 3445 1 5 . 1 1 117 117 ARG HA H 117 4.109 4.109 4.070 0.039 25124 3446 1 5 . 1 1 117 117 ARG C C 117 178.500 178.500 178.359 0.141 25124 3447 1 5 . 1 1 117 117 ARG CA C 117 59.411 59.411 59.629 -0.218 25124 3448 1 5 . 1 1 117 117 ARG CB C 117 30.414 30.414 30.251 0.163 25124 3449 1 5 . 1 1 117 117 ARG H H 117 8.090 8.090 7.674 0.416 25124 3450 1 5 . 1 1 118 118 ALA N N 118 122.157 122.157 119.764 2.393 25124 3451 1 5 . 1 1 118 118 ALA HA H 118 3.467 3.467 4.374 -0.907 25124 3452 1 5 . 1 1 118 118 ALA C C 118 178.632 178.632 179.946 -1.314 25124 3453 1 5 . 1 1 118 118 ALA CA C 118 54.739 54.739 54.404 0.335 25124 3454 1 5 . 1 1 118 118 ALA CB C 118 18.280 18.280 18.194 0.087 25124 3455 1 5 . 1 1 118 118 ALA H H 118 8.005 8.005 7.188 0.817 25124 3456 1 5 . 1 1 119 119 ILE N N 119 115.429 115.429 119.258 -3.829 25124 3457 1 5 . 1 1 119 119 ILE HA H 119 3.706 3.706 3.790 -0.084 25124 3458 1 5 . 1 1 119 119 ILE C C 119 177.442 177.442 177.497 -0.055 25124 3459 1 5 . 1 1 119 119 ILE CA C 119 63.910 63.910 64.692 -0.782 25124 3460 1 5 . 1 1 119 119 ILE CB C 119 37.939 37.939 37.644 0.295 25124 3461 1 5 . 1 1 119 119 ILE H H 119 7.788 7.788 7.493 0.295 25124 3462 1 5 . 1 1 120 120 SER N N 120 114.902 114.902 114.664 0.238 25124 3463 1 5 . 1 1 120 120 SER HA H 120 4.285 4.285 4.040 0.244 25124 3464 1 5 . 1 1 120 120 SER C C 120 175.142 175.142 176.463 -1.321 25124 3465 1 5 . 1 1 120 120 SER CA C 120 59.871 59.871 61.298 -1.427 25124 3466 1 5 . 1 1 120 120 SER CB C 120 63.522 63.522 63.387 0.135 25124 3467 1 5 . 1 1 120 120 SER H H 120 7.881 7.881 8.361 -0.480 25124 3468 1 5 . 1 1 121 121 HIS N N 121 119.927 119.927 122.083 -2.156 25124 3469 1 5 . 1 1 121 121 HIS HA H 121 4.439 4.439 4.255 0.184 25124 3470 1 5 . 1 1 121 121 HIS C C 121 174.957 174.957 175.888 -0.931 25124 3471 1 5 . 1 1 121 121 HIS CA C 121 57.362 57.362 58.584 -1.222 25124 3472 1 5 . 1 1 121 121 HIS CB C 121 29.496 29.496 30.204 -0.708 25124 3473 1 5 . 1 1 121 121 HIS H H 121 7.960 7.960 7.925 0.035 25124 3474 1 5 . 1 1 122 122 TYR N N 122 118.745 118.745 118.495 0.250 25124 3475 1 5 . 1 1 122 122 TYR HA H 122 4.455 4.455 4.615 -0.160 25124 3476 1 5 . 1 1 122 122 TYR C C 122 175.353 175.353 175.481 -0.128 25124 3477 1 5 . 1 1 122 122 TYR CA C 122 58.528 58.528 56.782 1.746 25124 3478 1 5 . 1 1 122 122 TYR CB C 122 38.726 38.726 36.753 1.973 25124 3479 1 5 . 1 1 122 122 TYR H H 122 7.776 7.776 7.410 0.366 25124 3480 1 5 . 1 1 123 123 GLN N N 123 121.424 121.424 120.458 0.966 25124 3481 1 5 . 1 1 123 123 GLN HA H 123 4.294 4.294 4.039 0.255 25124 3482 1 5 . 1 1 123 123 GLN C C 123 174.560 174.560 176.056 -1.496 25124 3483 1 5 . 1 1 123 123 GLN CA C 123 55.658 55.658 56.301 -0.643 25124 3484 1 5 . 1 1 123 123 GLN CB C 123 29.877 29.877 29.561 0.316 25124 3485 1 5 . 1 1 123 123 GLN H H 123 7.904 7.904 7.651 0.253 25124 3486 1 6 . 1 1 2 2 GLN HA H 2 4.453 4.453 4.721 -0.268 25124 3487 1 6 . 1 1 2 2 GLN C C 2 174.930 174.930 173.796 1.134 25124 3488 1 6 . 1 1 2 2 GLN CA C 2 55.627 55.627 55.386 0.241 25124 3489 1 6 . 1 1 2 2 GLN CB C 2 29.312 29.312 30.852 -1.540 25124 3490 1 6 . 1 1 3 3 ARG N N 3 121.349 121.349 121.387 -0.038 25124 3491 1 6 . 1 1 3 3 ARG HA H 3 4.390 4.390 4.415 -0.025 25124 3492 1 6 . 1 1 3 3 ARG C C 3 175.723 175.723 173.843 1.880 25124 3493 1 6 . 1 1 3 3 ARG CA C 3 56.041 56.041 56.161 -0.120 25124 3494 1 6 . 1 1 3 3 ARG CB C 3 31.395 31.395 32.604 -1.209 25124 3495 1 6 . 1 1 3 3 ARG H H 3 8.451 8.451 8.636 -0.185 25124 3496 1 6 . 1 1 4 4 GLY N N 4 107.889 107.889 112.374 -4.485 25124 3497 1 6 . 1 1 4 4 GLY C C 4 171.122 171.122 172.238 -1.116 25124 3498 1 6 . 1 1 4 4 GLY CA C 4 45.333 45.333 44.885 0.448 25124 3499 1 6 . 1 1 4 4 GLY H H 4 8.037 8.037 8.375 -0.338 25124 3500 1 6 . 1 1 5 5 ILE N N 5 122.674 122.674 120.802 1.872 25124 3501 1 6 . 1 1 5 5 ILE HA H 5 4.731 4.731 3.935 0.796 25124 3502 1 6 . 1 1 5 5 ILE C C 5 175.459 175.459 174.710 0.749 25124 3503 1 6 . 1 1 5 5 ILE CA C 5 60.614 60.614 62.441 -1.827 25124 3504 1 6 . 1 1 5 5 ILE CB C 5 39.535 39.535 37.927 1.608 25124 3505 1 6 . 1 1 5 5 ILE H H 5 9.605 9.605 8.424 1.181 25124 3506 1 6 . 1 1 6 6 VAL N N 6 127.532 127.532 128.161 -0.629 25124 3507 1 6 . 1 1 6 6 VAL HA H 6 4.892 4.892 4.374 0.518 25124 3508 1 6 . 1 1 6 6 VAL C C 6 174.110 174.110 174.571 -0.461 25124 3509 1 6 . 1 1 6 6 VAL CA C 6 59.255 59.255 60.924 -1.669 25124 3510 1 6 . 1 1 6 6 VAL CB C 6 34.530 34.530 32.121 2.409 25124 3511 1 6 . 1 1 6 6 VAL H H 6 9.135 9.135 8.071 1.064 25124 3512 1 6 . 1 1 7 7 TRP N N 7 127.409 127.409 128.668 -1.259 25124 3513 1 6 . 1 1 7 7 TRP HA H 7 6.447 6.447 4.859 1.588 25124 3514 1 6 . 1 1 7 7 TRP C C 7 175.089 175.089 174.774 0.315 25124 3515 1 6 . 1 1 7 7 TRP CA C 7 52.797 52.797 54.558 -1.761 25124 3516 1 6 . 1 1 7 7 TRP CB C 7 33.255 33.255 30.214 3.041 25124 3517 1 6 . 1 1 7 7 TRP H H 7 8.544 8.544 8.117 0.427 25124 3518 1 6 . 1 1 8 8 VAL N N 8 122.270 122.270 124.698 -2.428 25124 3519 1 6 . 1 1 8 8 VAL HA H 8 5.135 5.135 4.458 0.677 25124 3520 1 6 . 1 1 8 8 VAL C C 8 173.820 173.820 174.219 -0.399 25124 3521 1 6 . 1 1 8 8 VAL CA C 8 60.457 60.457 61.708 -1.251 25124 3522 1 6 . 1 1 8 8 VAL CB C 8 35.893 35.893 33.589 2.304 25124 3523 1 6 . 1 1 8 8 VAL H H 8 8.643 8.643 8.179 0.464 25124 3524 1 6 . 1 1 9 9 VAL N N 9 126.806 126.806 128.964 -2.158 25124 3525 1 6 . 1 1 9 9 VAL HA H 9 5.192 5.192 4.399 0.793 25124 3526 1 6 . 1 1 9 9 VAL C C 9 172.550 172.550 174.163 -1.613 25124 3527 1 6 . 1 1 9 9 VAL CA C 9 58.384 58.384 61.130 -2.747 25124 3528 1 6 . 1 1 9 9 VAL CB C 9 34.135 34.135 32.856 1.279 25124 3529 1 6 . 1 1 9 9 VAL H H 9 9.113 9.113 8.587 0.526 25124 3530 1 6 . 1 1 10 10 ASP N N 10 125.011 125.011 125.934 -0.923 25124 3531 1 6 . 1 1 10 10 ASP HA H 10 4.554 4.554 4.713 -0.159 25124 3532 1 6 . 1 1 10 10 ASP C C 10 174.877 174.877 174.129 0.748 25124 3533 1 6 . 1 1 10 10 ASP CA C 10 55.066 55.066 53.042 2.024 25124 3534 1 6 . 1 1 10 10 ASP CB C 10 44.131 44.131 43.417 0.714 25124 3535 1 6 . 1 1 10 10 ASP H H 10 7.881 7.881 8.123 -0.242 25124 3536 1 6 . 1 1 11 11 ASP N N 11 124.048 124.048 120.593 3.455 25124 3537 1 6 . 1 1 11 11 ASP HA H 11 4.613 4.613 4.865 -0.252 25124 3538 1 6 . 1 1 11 11 ASP C C 11 175.089 175.089 174.439 0.650 25124 3539 1 6 . 1 1 11 11 ASP CA C 11 55.346 55.346 53.532 1.814 25124 3540 1 6 . 1 1 11 11 ASP CB C 11 39.583 39.583 40.140 -0.557 25124 3541 1 6 . 1 1 11 11 ASP H H 11 9.166 9.166 8.580 0.586 25124 3542 1 6 . 1 1 12 12 ASP N N 12 125.165 125.165 122.568 2.597 25124 3543 1 6 . 1 1 12 12 ASP HA H 12 4.757 4.757 4.798 -0.041 25124 3544 1 6 . 1 1 12 12 ASP C C 12 176.993 176.993 176.297 0.696 25124 3545 1 6 . 1 1 12 12 ASP CA C 12 53.112 53.112 54.528 -1.416 25124 3546 1 6 . 1 1 12 12 ASP CB C 12 41.072 41.072 43.488 -2.416 25124 3547 1 6 . 1 1 12 12 ASP H H 12 10.290 10.290 7.679 2.611 25124 3548 1 6 . 1 1 13 13 SER N N 13 123.818 123.818 120.465 3.353 25124 3549 1 6 . 1 1 13 13 SER HA H 13 3.719 3.719 4.102 -0.383 25124 3550 1 6 . 1 1 13 13 SER C C 13 176.146 176.146 175.772 0.374 25124 3551 1 6 . 1 1 13 13 SER CA C 13 61.341 61.341 61.081 0.260 25124 3552 1 6 . 1 1 13 13 SER CB C 13 62.638 62.638 63.288 -0.650 25124 3553 1 6 . 1 1 13 13 SER H H 13 8.993 8.993 8.813 0.180 25124 3554 1 6 . 1 1 14 14 SER N N 14 118.714 118.714 118.515 0.199 25124 3555 1 6 . 1 1 14 14 SER HA H 14 4.322 4.322 4.374 -0.052 25124 3556 1 6 . 1 1 14 14 SER C C 14 176.411 176.411 175.982 0.429 25124 3557 1 6 . 1 1 14 14 SER CA C 14 61.717 61.717 61.535 0.182 25124 3558 1 6 . 1 1 14 14 SER CB C 14 62.554 62.554 63.032 -0.478 25124 3559 1 6 . 1 1 14 14 SER H H 14 8.499 8.499 8.133 0.366 25124 3560 1 6 . 1 1 15 15 ILE N N 15 122.822 122.822 119.315 3.507 25124 3561 1 6 . 1 1 15 15 ILE HA H 15 3.972 3.972 3.710 0.262 25124 3562 1 6 . 1 1 15 15 ILE C C 15 177.786 177.786 178.312 -0.526 25124 3563 1 6 . 1 1 15 15 ILE CA C 15 60.784 60.784 63.455 -2.671 25124 3564 1 6 . 1 1 15 15 ILE CB C 15 36.016 36.016 36.501 -0.485 25124 3565 1 6 . 1 1 15 15 ILE H H 15 7.011 7.011 8.020 -1.009 25124 3566 1 6 . 1 1 16 16 ARG N N 16 116.580 116.580 118.601 -2.021 25124 3567 1 6 . 1 1 16 16 ARG HA H 16 3.711 3.711 4.160 -0.449 25124 3568 1 6 . 1 1 16 16 ARG C C 16 177.336 177.336 178.744 -1.408 25124 3569 1 6 . 1 1 16 16 ARG CA C 16 61.632 61.632 59.415 2.217 25124 3570 1 6 . 1 1 16 16 ARG CB C 16 30.520 30.520 30.066 0.455 25124 3571 1 6 . 1 1 16 16 ARG H H 16 7.370 7.370 7.846 -0.476 25124 3572 1 6 . 1 1 17 17 TRP N N 17 116.893 116.893 122.738 -5.845 25124 3573 1 6 . 1 1 17 17 TRP HA H 17 4.481 4.481 4.392 0.089 25124 3574 1 6 . 1 1 17 17 TRP C C 17 178.394 178.394 177.715 0.679 25124 3575 1 6 . 1 1 17 17 TRP CA C 17 60.482 60.482 61.500 -1.018 25124 3576 1 6 . 1 1 17 17 TRP CB C 17 29.372 29.372 29.519 -0.147 25124 3577 1 6 . 1 1 17 17 TRP H H 17 8.020 8.020 8.239 -0.219 25124 3578 1 6 . 1 1 18 18 VAL N N 18 116.799 116.799 117.372 -0.573 25124 3579 1 6 . 1 1 18 18 VAL HA H 18 3.662 3.662 2.731 0.931 25124 3580 1 6 . 1 1 18 18 VAL C C 18 179.161 179.161 177.832 1.329 25124 3581 1 6 . 1 1 18 18 VAL CA C 18 65.858 65.858 65.371 0.487 25124 3582 1 6 . 1 1 18 18 VAL CB C 18 31.792 31.792 30.311 1.481 25124 3583 1 6 . 1 1 18 18 VAL H H 18 8.085 8.085 8.310 -0.225 25124 3584 1 6 . 1 1 19 19 LEU N N 19 119.595 119.595 120.653 -1.058 25124 3585 1 6 . 1 1 19 19 LEU HA H 19 4.083 4.083 3.885 0.198 25124 3586 1 6 . 1 1 19 19 LEU C C 19 177.759 177.759 178.645 -0.886 25124 3587 1 6 . 1 1 19 19 LEU CA C 19 57.971 57.971 57.872 0.099 25124 3588 1 6 . 1 1 19 19 LEU CB C 19 41.863 41.863 41.474 0.389 25124 3589 1 6 . 1 1 19 19 LEU H H 19 8.035 8.035 7.396 0.639 25124 3590 1 6 . 1 1 20 20 GLU N N 20 120.318 120.318 119.599 0.719 25124 3591 1 6 . 1 1 20 20 GLU HA H 20 4.007 4.007 3.804 0.203 25124 3592 1 6 . 1 1 20 20 GLU C C 20 178.500 178.500 179.109 -0.609 25124 3593 1 6 . 1 1 20 20 GLU CA C 20 60.567 60.567 59.828 0.739 25124 3594 1 6 . 1 1 20 20 GLU CB C 20 29.073 29.073 29.457 -0.384 25124 3595 1 6 . 1 1 20 20 GLU H H 20 8.417 8.417 7.731 0.686 25124 3596 1 6 . 1 1 21 21 ARG N N 21 115.981 115.981 118.119 -2.138 25124 3597 1 6 . 1 1 21 21 ARG HA H 21 3.898 3.898 3.920 -0.022 25124 3598 1 6 . 1 1 21 21 ARG C C 21 179.769 179.769 177.920 1.849 25124 3599 1 6 . 1 1 21 21 ARG CA C 21 58.491 58.491 58.739 -0.247 25124 3600 1 6 . 1 1 21 21 ARG CB C 21 29.966 29.966 29.884 0.082 25124 3601 1 6 . 1 1 21 21 ARG H H 21 7.579 7.579 7.910 -0.331 25124 3602 1 6 . 1 1 22 22 ALA N N 22 122.267 122.267 121.703 0.564 25124 3603 1 6 . 1 1 22 22 ALA HA H 22 4.110 4.110 4.089 0.021 25124 3604 1 6 . 1 1 22 22 ALA C C 22 180.456 180.456 179.142 1.314 25124 3605 1 6 . 1 1 22 22 ALA CA C 22 54.643 54.643 54.562 0.081 25124 3606 1 6 . 1 1 22 22 ALA CB C 22 19.225 19.225 18.993 0.232 25124 3607 1 6 . 1 1 22 22 ALA H H 22 7.933 7.933 7.587 0.346 25124 3608 1 6 . 1 1 23 23 LEU N N 23 118.139 118.139 119.746 -1.607 25124 3609 1 6 . 1 1 23 23 LEU HA H 23 4.005 4.005 3.869 0.136 25124 3610 1 6 . 1 1 23 23 LEU C C 23 178.843 178.843 179.420 -0.577 25124 3611 1 6 . 1 1 23 23 LEU CA C 23 57.765 57.765 57.855 -0.090 25124 3612 1 6 . 1 1 23 23 LEU CB C 23 39.919 39.919 41.421 -1.502 25124 3613 1 6 . 1 1 23 23 LEU H H 23 8.855 8.855 8.595 0.260 25124 3614 1 6 . 1 1 24 24 ALA N N 24 122.164 122.164 119.762 2.402 25124 3615 1 6 . 1 1 24 24 ALA HA H 24 4.665 4.665 4.043 0.622 25124 3616 1 6 . 1 1 24 24 ALA C C 24 183.206 183.206 179.498 3.708 25124 3617 1 6 . 1 1 24 24 ALA CA C 24 54.812 54.812 54.474 0.338 25124 3618 1 6 . 1 1 24 24 ALA CB C 24 17.820 17.820 18.328 -0.508 25124 3619 1 6 . 1 1 24 24 ALA H H 24 8.238 8.238 7.953 0.285 25124 3620 1 6 . 1 1 25 25 GLY N N 25 106.903 106.903 105.388 1.515 25124 3621 1 6 . 1 1 25 25 GLY C C 25 174.375 174.375 175.226 -0.851 25124 3622 1 6 . 1 1 25 25 GLY CA C 25 46.550 46.550 45.617 0.933 25124 3623 1 6 . 1 1 25 25 GLY H H 25 7.907 7.907 7.703 0.204 25124 3624 1 6 . 1 1 26 26 ALA N N 26 121.832 121.832 122.770 -0.938 25124 3625 1 6 . 1 1 26 26 ALA HA H 26 4.505 4.505 4.662 -0.157 25124 3626 1 6 . 1 1 26 26 ALA CA C 26 51.585 51.585 51.296 0.289 25124 3627 1 6 . 1 1 26 26 ALA CB C 26 18.799 18.799 19.109 -0.310 25124 3628 1 6 . 1 1 26 26 ALA H H 26 7.316 7.316 7.778 -0.462 25124 3629 1 6 . 1 1 27 27 GLY N N 27 106.146 106.146 106.863 -0.717 25124 3630 1 6 . 1 1 27 27 GLY C C 27 174.057 174.057 174.418 -0.361 25124 3631 1 6 . 1 1 27 27 GLY CA C 27 45.333 45.333 45.063 0.270 25124 3632 1 6 . 1 1 27 27 GLY H H 27 7.868 7.868 7.894 -0.026 25124 3633 1 6 . 1 1 28 28 LEU N N 28 120.273 120.273 121.643 -1.370 25124 3634 1 6 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.203 0.372 25124 3635 1 6 . 1 1 28 28 LEU C C 28 175.988 175.988 177.203 -1.215 25124 3636 1 6 . 1 1 28 28 LEU CA C 28 53.881 53.881 54.776 -0.895 25124 3637 1 6 . 1 1 28 28 LEU CB C 28 42.540 42.540 41.825 0.715 25124 3638 1 6 . 1 1 28 28 LEU H H 28 7.659 7.659 7.540 0.119 25124 3639 1 6 . 1 1 29 29 THR N N 29 118.173 118.173 118.692 -0.519 25124 3640 1 6 . 1 1 29 29 THR HA H 29 4.346 4.346 4.188 0.158 25124 3641 1 6 . 1 1 29 29 THR C C 29 173.344 173.344 173.786 -0.442 25124 3642 1 6 . 1 1 29 29 THR CA C 29 62.598 62.598 63.894 -1.296 25124 3643 1 6 . 1 1 29 29 THR CB C 29 69.423 69.423 69.310 0.113 25124 3644 1 6 . 1 1 29 29 THR H H 29 8.562 8.562 8.274 0.288 25124 3645 1 6 . 1 1 30 30 CYS N N 30 128.450 128.450 126.995 1.455 25124 3646 1 6 . 1 1 30 30 CYS HA H 30 6.012 6.012 4.717 1.295 25124 3647 1 6 . 1 1 30 30 CYS C C 30 173.978 173.978 174.093 -0.115 25124 3648 1 6 . 1 1 30 30 CYS CA C 30 56.424 56.424 57.793 -1.369 25124 3649 1 6 . 1 1 30 30 CYS CB C 30 29.615 29.615 29.087 0.528 25124 3650 1 6 . 1 1 30 30 CYS H H 30 9.035 9.035 8.603 0.432 25124 3651 1 6 . 1 1 31 31 THR N N 31 126.377 126.377 123.684 2.693 25124 3652 1 6 . 1 1 31 31 THR HA H 31 4.442 4.442 4.545 -0.103 25124 3653 1 6 . 1 1 31 31 THR C C 31 172.683 172.683 172.443 0.240 25124 3654 1 6 . 1 1 31 31 THR CA C 31 61.956 61.956 61.535 0.421 25124 3655 1 6 . 1 1 31 31 THR CB C 31 70.624 70.624 71.999 -1.375 25124 3656 1 6 . 1 1 31 31 THR H H 31 8.510 8.510 8.371 0.139 25124 3657 1 6 . 1 1 32 32 THR N N 32 115.988 115.988 113.365 2.623 25124 3658 1 6 . 1 1 32 32 THR HA H 32 5.454 5.454 4.806 0.648 25124 3659 1 6 . 1 1 32 32 THR C C 32 172.259 172.259 172.111 0.148 25124 3660 1 6 . 1 1 32 32 THR CA C 32 59.101 59.101 60.353 -1.252 25124 3661 1 6 . 1 1 32 32 THR CB C 32 71.173 71.173 71.316 -0.143 25124 3662 1 6 . 1 1 32 32 THR H H 32 8.301 8.301 7.613 0.688 25124 3663 1 6 . 1 1 33 33 PHE N N 33 117.690 117.690 121.601 -3.911 25124 3664 1 6 . 1 1 33 33 PHE HA H 33 4.723 4.723 4.679 0.044 25124 3665 1 6 . 1 1 33 33 PHE C C 33 174.507 174.507 174.954 -0.447 25124 3666 1 6 . 1 1 33 33 PHE CA C 33 56.504 56.504 58.026 -1.522 25124 3667 1 6 . 1 1 33 33 PHE CB C 33 43.589 43.589 40.662 2.927 25124 3668 1 6 . 1 1 33 33 PHE H H 33 8.834 8.834 8.713 0.121 25124 3669 1 6 . 1 1 34 34 GLU N N 34 118.296 118.296 115.350 2.946 25124 3670 1 6 . 1 1 34 34 GLU HA H 34 4.451 4.451 4.475 -0.024 25124 3671 1 6 . 1 1 34 34 GLU C C 34 174.957 174.957 174.095 0.862 25124 3672 1 6 . 1 1 34 34 GLU CA C 34 56.661 56.661 56.726 -0.065 25124 3673 1 6 . 1 1 34 34 GLU CB C 34 31.792 31.792 31.071 0.721 25124 3674 1 6 . 1 1 34 34 GLU H H 34 9.096 9.096 8.238 0.858 25124 3675 1 6 . 1 1 35 35 ASN N N 35 108.486 108.486 114.812 -6.326 25124 3676 1 6 . 1 1 35 35 ASN HA H 35 4.960 4.960 5.024 -0.064 25124 3677 1 6 . 1 1 35 35 ASN C C 35 175.353 175.353 176.620 -1.267 25124 3678 1 6 . 1 1 35 35 ASN CA C 35 52.364 52.364 51.876 0.488 25124 3679 1 6 . 1 1 35 35 ASN CB C 35 40.932 40.932 41.484 -0.552 25124 3680 1 6 . 1 1 35 35 ASN H H 35 7.286 7.286 7.816 -0.530 25124 3681 1 6 . 1 1 36 36 GLY N N 36 105.329 105.329 107.996 -2.667 25124 3682 1 6 . 1 1 36 36 GLY C C 36 174.586 174.586 175.758 -1.172 25124 3683 1 6 . 1 1 36 36 GLY CA C 36 47.533 47.533 47.312 0.221 25124 3684 1 6 . 1 1 36 36 GLY H H 36 9.369 9.369 8.981 0.388 25124 3685 1 6 . 1 1 37 37 ASN N N 37 120.396 120.396 118.892 1.504 25124 3686 1 6 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.300 0.062 25124 3687 1 6 . 1 1 37 37 ASN C C 37 178.791 178.791 177.527 1.264 25124 3688 1 6 . 1 1 37 37 ASN CA C 37 56.843 56.843 56.234 0.609 25124 3689 1 6 . 1 1 37 37 ASN CB C 37 37.716 37.716 38.026 -0.310 25124 3690 1 6 . 1 1 37 37 ASN H H 37 8.440 8.440 8.471 -0.031 25124 3691 1 6 . 1 1 38 38 GLU N N 38 119.334 119.334 119.475 -0.141 25124 3692 1 6 . 1 1 38 38 GLU HA H 38 4.058 4.058 3.886 0.172 25124 3693 1 6 . 1 1 38 38 GLU C C 38 179.372 179.372 178.817 0.555 25124 3694 1 6 . 1 1 38 38 GLU CA C 38 58.790 58.790 58.957 -0.167 25124 3695 1 6 . 1 1 38 38 GLU CB C 38 30.692 30.692 29.476 1.216 25124 3696 1 6 . 1 1 38 38 GLU H H 38 8.063 8.063 7.702 0.361 25124 3697 1 6 . 1 1 39 39 VAL N N 39 119.047 119.047 119.911 -0.864 25124 3698 1 6 . 1 1 39 39 VAL HA H 39 2.599 2.599 2.858 -0.259 25124 3699 1 6 . 1 1 39 39 VAL C C 39 176.807 176.807 178.075 -1.268 25124 3700 1 6 . 1 1 39 39 VAL CA C 39 65.222 65.222 65.528 -0.306 25124 3701 1 6 . 1 1 39 39 VAL CB C 39 31.078 31.078 31.008 0.070 25124 3702 1 6 . 1 1 39 39 VAL H H 39 6.844 6.844 7.274 -0.430 25124 3703 1 6 . 1 1 40 40 LEU N N 40 118.385 118.385 121.285 -2.900 25124 3704 1 6 . 1 1 40 40 LEU HA H 40 3.929 3.929 3.928 0.001 25124 3705 1 6 . 1 1 40 40 LEU C C 40 179.584 179.584 178.481 1.103 25124 3706 1 6 . 1 1 40 40 LEU CA C 40 57.943 57.943 58.190 -0.247 25124 3707 1 6 . 1 1 40 40 LEU CB C 40 40.932 40.932 40.106 0.826 25124 3708 1 6 . 1 1 40 40 LEU H H 40 7.715 7.715 8.111 -0.396 25124 3709 1 6 . 1 1 41 41 ALA N N 41 120.091 120.091 120.079 0.012 25124 3710 1 6 . 1 1 41 41 ALA HA H 41 4.158 4.158 3.838 0.320 25124 3711 1 6 . 1 1 41 41 ALA C C 41 180.562 180.562 178.951 1.611 25124 3712 1 6 . 1 1 41 41 ALA CA C 41 54.717 54.717 54.832 -0.115 25124 3713 1 6 . 1 1 41 41 ALA CB C 41 17.853 17.853 17.953 -0.100 25124 3714 1 6 . 1 1 41 41 ALA H H 41 7.671 7.671 7.691 -0.020 25124 3715 1 6 . 1 1 42 42 ALA N N 42 122.650 122.650 120.631 2.019 25124 3716 1 6 . 1 1 42 42 ALA HA H 42 4.221 4.221 4.216 0.005 25124 3717 1 6 . 1 1 42 42 ALA C C 42 180.166 180.166 179.631 0.535 25124 3718 1 6 . 1 1 42 42 ALA CA C 42 54.974 54.974 54.092 0.882 25124 3719 1 6 . 1 1 42 42 ALA CB C 42 19.488 19.488 18.090 1.398 25124 3720 1 6 . 1 1 42 42 ALA H H 42 7.573 7.573 7.069 0.504 25124 3721 1 6 . 1 1 43 43 LEU N N 43 119.321 119.321 120.745 -1.424 25124 3722 1 6 . 1 1 43 43 LEU HA H 43 5.260 5.260 4.604 0.656 25124 3723 1 6 . 1 1 43 43 LEU C C 43 177.389 177.389 179.473 -2.084 25124 3724 1 6 . 1 1 43 43 LEU CA C 43 55.446 55.446 57.916 -2.470 25124 3725 1 6 . 1 1 43 43 LEU CB C 43 42.879 42.879 42.168 0.711 25124 3726 1 6 . 1 1 43 43 LEU H H 43 8.289 8.289 8.401 -0.112 25124 3727 1 6 . 1 1 44 44 ALA N N 44 118.995 118.995 118.234 0.761 25124 3728 1 6 . 1 1 44 44 ALA HA H 44 4.232 4.232 3.963 0.269 25124 3729 1 6 . 1 1 44 44 ALA C C 44 178.738 178.738 179.636 -0.898 25124 3730 1 6 . 1 1 44 44 ALA CA C 44 54.353 54.353 54.656 -0.303 25124 3731 1 6 . 1 1 44 44 ALA CB C 44 18.674 18.674 18.499 0.175 25124 3732 1 6 . 1 1 44 44 ALA H H 44 7.307 7.307 7.993 -0.686 25124 3733 1 6 . 1 1 45 45 SER N N 45 108.530 108.530 112.517 -3.987 25124 3734 1 6 . 1 1 45 45 SER HA H 45 4.761 4.761 4.399 0.362 25124 3735 1 6 . 1 1 45 45 SER C C 45 173.344 173.344 175.339 -1.995 25124 3736 1 6 . 1 1 45 45 SER CA C 45 58.682 58.682 60.613 -1.931 25124 3737 1 6 . 1 1 45 45 SER CB C 45 65.446 65.446 63.990 1.456 25124 3738 1 6 . 1 1 45 45 SER H H 45 7.772 7.772 7.975 -0.203 25124 3739 1 6 . 1 1 46 46 LYS N N 46 122.965 122.965 117.980 4.985 25124 3740 1 6 . 1 1 46 46 LYS HA H 46 4.608 4.608 4.647 -0.039 25124 3741 1 6 . 1 1 46 46 LYS C C 46 172.815 172.815 174.052 -1.237 25124 3742 1 6 . 1 1 46 46 LYS CA C 46 55.601 55.601 55.275 0.326 25124 3743 1 6 . 1 1 46 46 LYS CB C 46 36.399 36.399 36.515 -0.116 25124 3744 1 6 . 1 1 46 46 LYS H H 46 8.096 8.096 8.543 -0.447 25124 3745 1 6 . 1 1 47 47 THR N N 47 111.524 111.524 113.108 -1.584 25124 3746 1 6 . 1 1 47 47 THR HA H 47 4.307 4.307 4.447 -0.140 25124 3747 1 6 . 1 1 47 47 THR CA C 47 57.896 57.896 57.966 -0.070 25124 3748 1 6 . 1 1 47 47 THR CB C 47 70.570 70.570 69.278 1.292 25124 3749 1 6 . 1 1 47 47 THR H H 47 7.708 7.708 8.102 -0.394 25124 3750 1 6 . 1 1 48 48 PRO HA H 48 3.944 3.944 3.969 -0.025 25124 3751 1 6 . 1 1 48 48 PRO C C 48 173.079 173.079 175.936 -2.857 25124 3752 1 6 . 1 1 48 48 PRO CA C 48 60.922 60.922 62.173 -1.251 25124 3753 1 6 . 1 1 48 48 PRO CB C 48 30.353 30.353 32.000 -1.647 25124 3754 1 6 . 1 1 49 49 ASP N N 49 115.001 115.001 118.859 -3.858 25124 3755 1 6 . 1 1 49 49 ASP HA H 49 4.460 4.460 4.577 -0.117 25124 3756 1 6 . 1 1 49 49 ASP C C 49 175.591 175.591 175.538 0.053 25124 3757 1 6 . 1 1 49 49 ASP CA C 49 56.504 56.504 55.214 1.290 25124 3758 1 6 . 1 1 49 49 ASP CB C 49 42.625 42.625 42.674 -0.049 25124 3759 1 6 . 1 1 49 49 ASP H H 49 8.535 8.535 8.079 0.456 25124 3760 1 6 . 1 1 50 50 VAL N N 50 111.832 111.832 115.051 -3.219 25124 3761 1 6 . 1 1 50 50 VAL HA H 50 4.316 4.316 4.368 -0.052 25124 3762 1 6 . 1 1 50 50 VAL C C 50 171.572 171.572 173.267 -1.695 25124 3763 1 6 . 1 1 50 50 VAL CA C 50 60.398 60.398 61.804 -1.406 25124 3764 1 6 . 1 1 50 50 VAL CB C 50 34.650 34.650 34.384 0.266 25124 3765 1 6 . 1 1 50 50 VAL H H 50 7.194 7.194 7.116 0.078 25124 3766 1 6 . 1 1 51 51 LEU N N 51 127.785 127.785 127.466 0.319 25124 3767 1 6 . 1 1 51 51 LEU HA H 51 5.376 5.376 5.468 -0.092 25124 3768 1 6 . 1 1 51 51 LEU C C 51 173.264 173.264 174.890 -1.626 25124 3769 1 6 . 1 1 51 51 LEU CA C 51 53.137 53.137 52.770 0.367 25124 3770 1 6 . 1 1 51 51 LEU CB C 51 46.680 46.680 46.432 0.248 25124 3771 1 6 . 1 1 51 51 LEU H H 51 8.049 8.049 8.325 -0.276 25124 3772 1 6 . 1 1 52 52 LEU N N 52 128.943 128.943 125.565 3.378 25124 3773 1 6 . 1 1 52 52 LEU HA H 52 5.312 5.312 4.957 0.355 25124 3774 1 6 . 1 1 52 52 LEU C C 52 174.692 174.692 176.932 -2.240 25124 3775 1 6 . 1 1 52 52 LEU CA C 52 54.313 54.313 53.668 0.645 25124 3776 1 6 . 1 1 52 52 LEU CB C 52 43.961 43.961 40.496 3.465 25124 3777 1 6 . 1 1 52 52 LEU H H 52 9.278 9.278 8.113 1.165 25124 3778 1 6 . 1 1 53 53 SER N N 53 116.717 116.717 118.198 -1.481 25124 3779 1 6 . 1 1 53 53 SER HA H 53 5.395 5.395 4.250 1.145 25124 3780 1 6 . 1 1 53 53 SER C C 53 173.608 173.608 173.291 0.317 25124 3781 1 6 . 1 1 53 53 SER CA C 53 56.226 56.226 59.571 -3.345 25124 3782 1 6 . 1 1 53 53 SER CB C 53 65.753 65.753 64.725 1.028 25124 3783 1 6 . 1 1 53 53 SER H H 53 9.256 9.256 7.808 1.448 25124 3784 1 6 . 1 1 54 54 ASP N N 54 127.909 127.909 125.983 1.926 25124 3785 1 6 . 1 1 54 54 ASP HA H 54 5.622 5.622 5.452 0.170 25124 3786 1 6 . 1 1 54 54 ASP C C 54 175.723 175.723 175.662 0.061 25124 3787 1 6 . 1 1 54 54 ASP CA C 54 53.268 53.268 51.893 1.375 25124 3788 1 6 . 1 1 54 54 ASP CB C 54 44.386 44.386 42.724 1.661 25124 3789 1 6 . 1 1 54 54 ASP H H 54 8.219 8.219 8.550 -0.331 25124 3790 1 6 . 1 1 55 55 ILE N N 55 117.015 117.015 118.882 -1.867 25124 3791 1 6 . 1 1 55 55 ILE HA H 55 4.116 4.116 4.531 -0.415 25124 3792 1 6 . 1 1 55 55 ILE C C 55 176.913 176.913 174.837 2.076 25124 3793 1 6 . 1 1 55 55 ILE CA C 55 65.290 65.290 59.668 5.622 25124 3794 1 6 . 1 1 55 55 ILE CB C 55 38.487 38.487 37.100 1.387 25124 3795 1 6 . 1 1 55 55 ILE H H 55 7.812 7.812 8.073 -0.261 25124 3796 1 6 . 1 1 56 56 ARG N N 56 117.365 117.365 122.081 -4.716 25124 3797 1 6 . 1 1 56 56 ARG HA H 56 4.379 4.379 4.436 -0.057 25124 3798 1 6 . 1 1 56 56 ARG C C 56 172.788 172.788 174.044 -1.256 25124 3799 1 6 . 1 1 56 56 ARG CA C 56 57.034 57.034 56.003 1.031 25124 3800 1 6 . 1 1 56 56 ARG CB C 56 27.600 27.600 30.209 -2.608 25124 3801 1 6 . 1 1 56 56 ARG H H 56 8.991 8.991 7.990 1.001 25124 3802 1 6 . 1 1 57 57 MET N N 57 129.539 129.539 119.199 10.340 25124 3803 1 6 . 1 1 57 57 MET HA H 57 4.767 4.767 5.048 -0.281 25124 3804 1 6 . 1 1 57 57 MET CA C 57 53.641 53.641 53.000 0.641 25124 3805 1 6 . 1 1 57 57 MET CB C 57 36.484 36.484 33.589 2.896 25124 3806 1 6 . 1 1 57 57 MET H H 57 7.501 7.501 7.881 -0.380 25124 3807 1 6 . 1 1 58 58 PRO HA H 58 4.379 4.379 4.412 -0.033 25124 3808 1 6 . 1 1 58 58 PRO C C 58 177.495 177.495 178.057 -0.562 25124 3809 1 6 . 1 1 58 58 PRO CA C 58 63.104 63.104 63.817 -0.713 25124 3810 1 6 . 1 1 58 58 PRO CB C 58 31.922 31.922 32.176 -0.254 25124 3811 1 6 . 1 1 59 59 GLY N N 59 112.312 112.312 107.521 4.791 25124 3812 1 6 . 1 1 59 59 GLY C C 59 173.793 173.793 174.353 -0.560 25124 3813 1 6 . 1 1 59 59 GLY CA C 59 46.430 46.430 46.274 0.156 25124 3814 1 6 . 1 1 59 59 GLY H H 59 8.656 8.656 8.509 0.147 25124 3815 1 6 . 1 1 60 60 MET N N 60 124.343 124.343 118.757 5.586 25124 3816 1 6 . 1 1 60 60 MET HA H 60 4.344 4.344 4.587 -0.243 25124 3817 1 6 . 1 1 60 60 MET C C 60 174.190 174.190 174.990 -0.800 25124 3818 1 6 . 1 1 60 60 MET CA C 60 55.871 55.871 55.648 0.223 25124 3819 1 6 . 1 1 60 60 MET CB C 60 34.955 34.955 34.575 0.380 25124 3820 1 6 . 1 1 60 60 MET H H 60 7.778 7.778 8.146 -0.367 25124 3821 1 6 . 1 1 61 61 ASP N N 61 124.993 124.993 114.784 10.209 25124 3822 1 6 . 1 1 61 61 ASP HA H 61 4.870 4.870 4.725 0.145 25124 3823 1 6 . 1 1 61 61 ASP C C 61 176.966 176.966 175.112 1.854 25124 3824 1 6 . 1 1 61 61 ASP CA C 61 53.490 53.490 53.819 -0.329 25124 3825 1 6 . 1 1 61 61 ASP CB C 61 42.347 42.347 41.502 0.845 25124 3826 1 6 . 1 1 61 61 ASP H H 61 8.378 8.378 7.778 0.600 25124 3827 1 6 . 1 1 62 62 GLY N N 62 105.163 105.163 105.224 -0.061 25124 3828 1 6 . 1 1 62 62 GLY C C 62 175.935 175.935 175.735 0.200 25124 3829 1 6 . 1 1 62 62 GLY CA C 62 46.755 46.755 45.203 1.552 25124 3830 1 6 . 1 1 62 62 GLY H H 62 10.153 10.153 8.639 1.514 25124 3831 1 6 . 1 1 63 63 LEU N N 63 120.509 120.509 122.154 -1.645 25124 3832 1 6 . 1 1 63 63 LEU HA H 63 4.293 4.293 4.005 0.288 25124 3833 1 6 . 1 1 63 63 LEU C C 63 179.293 179.293 178.287 1.006 25124 3834 1 6 . 1 1 63 63 LEU CA C 63 57.148 57.148 57.528 -0.380 25124 3835 1 6 . 1 1 63 63 LEU CB C 63 40.053 40.053 41.779 -1.726 25124 3836 1 6 . 1 1 63 63 LEU H H 63 8.119 8.119 8.010 0.109 25124 3837 1 6 . 1 1 64 64 ALA N N 64 126.234 126.234 122.067 4.167 25124 3838 1 6 . 1 1 64 64 ALA HA H 64 4.112 4.112 4.069 0.043 25124 3839 1 6 . 1 1 64 64 ALA C C 64 181.223 181.223 179.249 1.974 25124 3840 1 6 . 1 1 64 64 ALA CA C 64 54.802 54.802 54.921 -0.119 25124 3841 1 6 . 1 1 64 64 ALA CB C 64 18.133 18.133 18.169 -0.036 25124 3842 1 6 . 1 1 64 64 ALA H H 64 8.303 8.303 7.697 0.606 25124 3843 1 6 . 1 1 65 65 LEU N N 65 120.067 120.067 117.968 2.099 25124 3844 1 6 . 1 1 65 65 LEU HA H 65 4.044 4.044 4.259 -0.215 25124 3845 1 6 . 1 1 65 65 LEU C C 65 177.548 177.548 178.333 -0.785 25124 3846 1 6 . 1 1 65 65 LEU CA C 65 58.197 58.197 56.957 1.240 25124 3847 1 6 . 1 1 65 65 LEU CB C 65 41.727 41.727 42.574 -0.847 25124 3848 1 6 . 1 1 65 65 LEU H H 65 8.398 8.398 7.922 0.476 25124 3849 1 6 . 1 1 66 66 LEU N N 66 120.890 120.890 120.220 0.670 25124 3850 1 6 . 1 1 66 66 LEU HA H 66 3.848 3.848 4.159 -0.311 25124 3851 1 6 . 1 1 66 66 LEU C C 66 177.230 177.230 178.217 -0.987 25124 3852 1 6 . 1 1 66 66 LEU CA C 66 58.736 58.736 57.226 1.510 25124 3853 1 6 . 1 1 66 66 LEU CB C 66 41.803 41.803 41.864 -0.061 25124 3854 1 6 . 1 1 66 66 LEU H H 66 8.203 8.203 8.079 0.124 25124 3855 1 6 . 1 1 67 67 LYS N N 67 116.919 116.919 118.972 -2.053 25124 3856 1 6 . 1 1 67 67 LYS HA H 67 4.004 4.004 4.077 -0.073 25124 3857 1 6 . 1 1 67 67 LYS C C 67 179.452 179.452 178.891 0.561 25124 3858 1 6 . 1 1 67 67 LYS CA C 67 59.733 59.733 58.640 1.093 25124 3859 1 6 . 1 1 67 67 LYS CB C 67 32.415 32.415 32.193 0.222 25124 3860 1 6 . 1 1 67 67 LYS H H 67 7.667 7.667 8.092 -0.425 25124 3861 1 6 . 1 1 68 68 GLN N N 68 116.851 116.851 118.310 -1.459 25124 3862 1 6 . 1 1 68 68 GLN HA H 68 4.046 4.046 4.116 -0.070 25124 3863 1 6 . 1 1 68 68 GLN C C 68 179.319 179.319 178.201 1.118 25124 3864 1 6 . 1 1 68 68 GLN CA C 68 58.820 58.820 58.707 0.113 25124 3865 1 6 . 1 1 68 68 GLN CB C 68 28.660 28.660 29.018 -0.358 25124 3866 1 6 . 1 1 68 68 GLN H H 68 7.677 7.677 7.738 -0.061 25124 3867 1 6 . 1 1 69 69 ILE N N 69 120.670 120.670 115.447 5.223 25124 3868 1 6 . 1 1 69 69 ILE HA H 69 3.564 3.564 3.337 0.227 25124 3869 1 6 . 1 1 69 69 ILE C C 69 177.786 177.786 177.326 0.460 25124 3870 1 6 . 1 1 69 69 ILE CA C 69 65.381 65.381 64.097 1.283 25124 3871 1 6 . 1 1 69 69 ILE CB C 69 37.186 37.186 37.517 -0.331 25124 3872 1 6 . 1 1 69 69 ILE H H 69 8.918 8.918 7.399 1.519 25124 3873 1 6 . 1 1 70 70 LYS N N 70 118.002 118.002 117.989 0.013 25124 3874 1 6 . 1 1 70 70 LYS HA H 70 3.936 3.936 4.160 -0.224 25124 3875 1 6 . 1 1 70 70 LYS C C 70 177.944 177.944 177.974 -0.030 25124 3876 1 6 . 1 1 70 70 LYS CA C 70 57.351 57.351 58.280 -0.929 25124 3877 1 6 . 1 1 70 70 LYS CB C 70 31.440 31.440 32.337 -0.897 25124 3878 1 6 . 1 1 70 70 LYS H H 70 8.592 8.592 7.415 1.177 25124 3879 1 6 . 1 1 71 71 GLN N N 71 114.891 114.891 117.451 -2.560 25124 3880 1 6 . 1 1 71 71 GLN HA H 71 4.063 4.063 4.240 -0.177 25124 3881 1 6 . 1 1 71 71 GLN C C 71 177.019 177.019 177.363 -0.344 25124 3882 1 6 . 1 1 71 71 GLN CA C 71 58.007 58.007 57.439 0.568 25124 3883 1 6 . 1 1 71 71 GLN CB C 71 29.168 29.168 29.357 -0.189 25124 3884 1 6 . 1 1 71 71 GLN H H 71 7.266 7.266 7.570 -0.304 25124 3885 1 6 . 1 1 72 72 ARG N N 72 116.364 116.364 119.063 -2.699 25124 3886 1 6 . 1 1 72 72 ARG HA H 72 4.130 4.130 4.347 -0.217 25124 3887 1 6 . 1 1 72 72 ARG C C 72 175.803 175.803 175.891 -0.088 25124 3888 1 6 . 1 1 72 72 ARG CA C 72 57.174 57.174 57.004 0.170 25124 3889 1 6 . 1 1 72 72 ARG CB C 72 32.638 32.638 32.353 0.285 25124 3890 1 6 . 1 1 72 72 ARG H H 72 7.254 7.254 8.149 -0.895 25124 3891 1 6 . 1 1 73 73 HIS N N 73 116.981 116.981 113.951 3.030 25124 3892 1 6 . 1 1 73 73 HIS HA H 73 4.994 4.994 4.940 0.054 25124 3893 1 6 . 1 1 73 73 HIS CA C 73 53.252 53.252 52.845 0.407 25124 3894 1 6 . 1 1 73 73 HIS CB C 73 31.026 31.026 28.934 2.091 25124 3895 1 6 . 1 1 73 73 HIS H H 73 8.828 8.828 7.607 1.221 25124 3896 1 6 . 1 1 74 74 PRO HA H 74 4.435 4.435 4.282 0.153 25124 3897 1 6 . 1 1 74 74 PRO C C 74 178.156 178.156 176.866 1.290 25124 3898 1 6 . 1 1 74 74 PRO CA C 74 65.284 65.284 64.269 1.016 25124 3899 1 6 . 1 1 74 74 PRO CB C 74 32.130 32.130 31.994 0.136 25124 3900 1 6 . 1 1 75 75 MET N N 75 114.676 114.676 116.665 -1.989 25124 3901 1 6 . 1 1 75 75 MET HA H 75 4.587 4.587 4.388 0.199 25124 3902 1 6 . 1 1 75 75 MET C C 75 176.067 176.067 175.207 0.860 25124 3903 1 6 . 1 1 75 75 MET CA C 75 54.304 54.304 56.216 -1.912 25124 3904 1 6 . 1 1 75 75 MET CB C 75 31.623 31.623 33.065 -1.442 25124 3905 1 6 . 1 1 75 75 MET H H 75 8.648 8.648 7.813 0.835 25124 3906 1 6 . 1 1 76 76 LEU N N 76 125.720 125.720 121.282 4.438 25124 3907 1 6 . 1 1 76 76 LEU HA H 76 4.293 4.293 4.430 -0.137 25124 3908 1 6 . 1 1 76 76 LEU CA C 76 53.472 53.472 51.496 1.976 25124 3909 1 6 . 1 1 76 76 LEU CB C 76 43.540 43.540 42.715 0.825 25124 3910 1 6 . 1 1 76 76 LEU H H 76 7.342 7.342 7.332 0.010 25124 3911 1 6 . 1 1 77 77 PRO HA H 77 4.440 4.440 4.487 -0.047 25124 3912 1 6 . 1 1 77 77 PRO C C 77 175.062 175.062 175.734 -0.672 25124 3913 1 6 . 1 1 77 77 PRO CA C 77 62.841 62.841 62.642 0.199 25124 3914 1 6 . 1 1 77 77 PRO CB C 77 31.903 31.903 32.245 -0.342 25124 3915 1 6 . 1 1 78 78 VAL N N 78 123.116 123.116 122.547 0.569 25124 3916 1 6 . 1 1 78 78 VAL HA H 78 5.093 5.093 4.728 0.365 25124 3917 1 6 . 1 1 78 78 VAL C C 78 175.776 175.776 174.831 0.945 25124 3918 1 6 . 1 1 78 78 VAL CA C 78 60.083 60.083 60.395 -0.312 25124 3919 1 6 . 1 1 78 78 VAL CB C 78 34.245 34.245 35.467 -1.222 25124 3920 1 6 . 1 1 78 78 VAL H H 78 8.369 8.369 8.065 0.304 25124 3921 1 6 . 1 1 79 79 ILE N N 79 129.166 129.166 123.063 6.103 25124 3922 1 6 . 1 1 79 79 ILE HA H 79 4.499 4.499 4.505 -0.006 25124 3923 1 6 . 1 1 79 79 ILE C C 79 174.295 174.295 174.892 -0.597 25124 3924 1 6 . 1 1 79 79 ILE CA C 79 60.030 60.030 60.107 -0.077 25124 3925 1 6 . 1 1 79 79 ILE CB C 79 40.222 40.222 41.038 -0.815 25124 3926 1 6 . 1 1 79 79 ILE H H 79 9.436 9.436 8.130 1.306 25124 3927 1 6 . 1 1 80 80 ILE N N 80 128.234 128.234 124.314 3.920 25124 3928 1 6 . 1 1 80 80 ILE HA H 80 5.253 5.253 4.428 0.825 25124 3929 1 6 . 1 1 80 80 ILE C C 80 173.449 173.449 174.362 -0.913 25124 3930 1 6 . 1 1 80 80 ILE CA C 80 56.265 56.265 59.654 -3.389 25124 3931 1 6 . 1 1 80 80 ILE CB C 80 38.176 38.176 38.319 -0.143 25124 3932 1 6 . 1 1 80 80 ILE H H 80 7.920 7.920 8.198 -0.278 25124 3933 1 6 . 1 1 81 81 MET N N 81 124.079 124.079 128.428 -4.349 25124 3934 1 6 . 1 1 81 81 MET HA H 81 5.489 5.489 4.758 0.731 25124 3935 1 6 . 1 1 81 81 MET C C 81 173.820 173.820 173.823 -0.003 25124 3936 1 6 . 1 1 81 81 MET CA C 81 52.889 52.889 54.352 -1.463 25124 3937 1 6 . 1 1 81 81 MET CB C 81 36.663 36.663 35.085 1.578 25124 3938 1 6 . 1 1 81 81 MET H H 81 9.028 9.028 8.815 0.213 25124 3939 1 6 . 1 1 82 82 THR N N 82 108.434 108.434 120.052 -11.618 25124 3940 1 6 . 1 1 82 82 THR HA H 82 5.134 5.134 4.527 0.607 25124 3941 1 6 . 1 1 82 82 THR C C 82 172.550 172.550 172.152 0.398 25124 3942 1 6 . 1 1 82 82 THR CA C 82 60.642 60.642 61.303 -0.661 25124 3943 1 6 . 1 1 82 82 THR CB C 82 68.843 68.843 70.399 -1.556 25124 3944 1 6 . 1 1 82 82 THR H H 82 7.098 7.098 8.209 -1.111 25124 3945 1 6 . 1 1 83 83 ALA N N 83 128.991 128.991 122.132 6.859 25124 3946 1 6 . 1 1 83 83 ALA HA H 83 4.678 4.678 4.722 -0.044 25124 3947 1 6 . 1 1 83 83 ALA C C 83 177.812 177.812 178.069 -0.257 25124 3948 1 6 . 1 1 83 83 ALA CA C 83 52.457 52.457 50.495 1.962 25124 3949 1 6 . 1 1 83 83 ALA CB C 83 19.396 19.396 20.171 -0.775 25124 3950 1 6 . 1 1 83 83 ALA H H 83 8.590 8.590 8.181 0.409 25124 3951 1 6 . 1 1 84 84 HIS N N 84 121.904 121.904 114.267 7.637 25124 3952 1 6 . 1 1 84 84 HIS HA H 84 4.576 4.576 4.321 0.255 25124 3953 1 6 . 1 1 84 84 HIS C C 84 175.512 175.512 176.050 -0.538 25124 3954 1 6 . 1 1 84 84 HIS CA C 84 56.674 56.674 57.914 -1.240 25124 3955 1 6 . 1 1 84 84 HIS CB C 84 29.589 29.589 29.625 -0.036 25124 3956 1 6 . 1 1 84 84 HIS H H 84 8.865 8.865 8.128 0.737 25124 3957 1 6 . 1 1 85 85 SER N N 85 114.679 114.679 116.755 -2.076 25124 3958 1 6 . 1 1 85 85 SER HA H 85 4.303 4.303 4.451 -0.148 25124 3959 1 6 . 1 1 85 85 SER C C 85 174.560 174.560 173.840 0.720 25124 3960 1 6 . 1 1 85 85 SER CA C 85 58.970 58.970 59.247 -0.277 25124 3961 1 6 . 1 1 85 85 SER CB C 85 62.829 62.829 63.543 -0.714 25124 3962 1 6 . 1 1 85 85 SER H H 85 8.016 8.016 7.806 0.210 25124 3963 1 6 . 1 1 86 86 ASP N N 86 122.325 122.325 121.230 1.095 25124 3964 1 6 . 1 1 86 86 ASP HA H 86 4.761 4.761 4.364 0.397 25124 3965 1 6 . 1 1 86 86 ASP C C 86 176.094 176.094 176.997 -0.903 25124 3966 1 6 . 1 1 86 86 ASP CA C 86 53.627 53.627 56.009 -2.382 25124 3967 1 6 . 1 1 86 86 ASP CB C 86 40.942 40.942 40.343 0.599 25124 3968 1 6 . 1 1 86 86 ASP H H 86 8.054 8.054 8.858 -0.804 25124 3969 1 6 . 1 1 87 87 LEU N N 87 122.041 122.041 119.644 2.397 25124 3970 1 6 . 1 1 87 87 LEU HA H 87 4.069 4.069 4.020 0.049 25124 3971 1 6 . 1 1 87 87 LEU C C 87 177.892 177.892 177.442 0.450 25124 3972 1 6 . 1 1 87 87 LEU CA C 87 57.182 57.182 57.240 -0.058 25124 3973 1 6 . 1 1 87 87 LEU CB C 87 42.015 42.015 41.802 0.213 25124 3974 1 6 . 1 1 87 87 LEU H H 87 8.005 8.005 7.493 0.512 25124 3975 1 6 . 1 1 88 88 ASP N N 88 118.050 118.050 120.009 -1.959 25124 3976 1 6 . 1 1 88 88 ASP HA H 88 4.370 4.370 4.265 0.105 25124 3977 1 6 . 1 1 88 88 ASP C C 88 178.103 178.103 177.560 0.543 25124 3978 1 6 . 1 1 88 88 ASP CA C 88 56.342 56.342 57.329 -0.987 25124 3979 1 6 . 1 1 88 88 ASP CB C 88 40.280 40.280 40.020 0.260 25124 3980 1 6 . 1 1 88 88 ASP H H 88 8.243 8.243 8.543 -0.300 25124 3981 1 6 . 1 1 89 89 ALA N N 89 122.780 122.780 121.104 1.676 25124 3982 1 6 . 1 1 89 89 ALA HA H 89 4.038 4.038 4.120 -0.082 25124 3983 1 6 . 1 1 89 89 ALA C C 89 178.526 178.526 179.138 -0.612 25124 3984 1 6 . 1 1 89 89 ALA CA C 89 54.655 54.655 54.261 0.393 25124 3985 1 6 . 1 1 89 89 ALA CB C 89 18.809 18.809 18.392 0.417 25124 3986 1 6 . 1 1 89 89 ALA H H 89 7.890 7.890 7.722 0.168 25124 3987 1 6 . 1 1 90 90 ALA N N 90 120.040 120.040 121.291 -1.251 25124 3988 1 6 . 1 1 90 90 ALA HA H 90 3.254 3.254 3.774 -0.520 25124 3989 1 6 . 1 1 90 90 ALA C C 90 178.976 178.976 179.319 -0.343 25124 3990 1 6 . 1 1 90 90 ALA CA C 90 55.050 55.050 54.910 0.140 25124 3991 1 6 . 1 1 90 90 ALA CB C 90 17.725 17.725 17.886 -0.161 25124 3992 1 6 . 1 1 90 90 ALA H H 90 7.513 7.513 8.048 -0.535 25124 3993 1 6 . 1 1 91 91 VAL N N 91 116.635 116.635 117.829 -1.194 25124 3994 1 6 . 1 1 91 91 VAL HA H 91 3.637 3.637 3.706 -0.069 25124 3995 1 6 . 1 1 91 91 VAL C C 91 178.632 178.632 177.962 0.670 25124 3996 1 6 . 1 1 91 91 VAL CA C 91 65.971 65.971 66.304 -0.333 25124 3997 1 6 . 1 1 91 91 VAL CB C 91 31.623 31.623 31.500 0.123 25124 3998 1 6 . 1 1 91 91 VAL H H 91 7.877 7.877 7.442 0.435 25124 3999 1 6 . 1 1 92 92 SER N N 92 115.439 115.439 114.544 0.895 25124 4000 1 6 . 1 1 92 92 SER HA H 92 4.215 4.215 4.067 0.148 25124 4001 1 6 . 1 1 92 92 SER C C 92 175.961 175.961 176.312 -0.351 25124 4002 1 6 . 1 1 92 92 SER CA C 92 61.401 61.401 61.315 0.086 25124 4003 1 6 . 1 1 92 92 SER CB C 92 62.966 62.966 63.010 -0.044 25124 4004 1 6 . 1 1 92 92 SER H H 92 7.912 7.912 7.732 0.180 25124 4005 1 6 . 1 1 93 93 ALA N N 93 122.647 122.647 124.405 -1.758 25124 4006 1 6 . 1 1 93 93 ALA HA H 93 3.786 3.786 4.025 -0.239 25124 4007 1 6 . 1 1 93 93 ALA C C 93 179.293 179.293 179.989 -0.696 25124 4008 1 6 . 1 1 93 93 ALA CA C 93 55.172 55.172 54.846 0.326 25124 4009 1 6 . 1 1 93 93 ALA CB C 93 17.161 17.161 17.789 -0.628 25124 4010 1 6 . 1 1 93 93 ALA H H 93 8.199 8.199 7.867 0.332 25124 4011 1 6 . 1 1 94 94 TYR N N 94 117.796 117.796 118.522 -0.726 25124 4012 1 6 . 1 1 94 94 TYR HA H 94 4.283 4.283 4.144 0.139 25124 4013 1 6 . 1 1 94 94 TYR C C 94 179.954 179.954 178.577 1.377 25124 4014 1 6 . 1 1 94 94 TYR CA C 94 61.216 61.216 61.111 0.104 25124 4015 1 6 . 1 1 94 94 TYR CB C 94 37.716 37.716 37.654 0.062 25124 4016 1 6 . 1 1 94 94 TYR H H 94 8.065 8.065 7.484 0.581 25124 4017 1 6 . 1 1 95 95 GLN N N 95 120.057 120.057 116.168 3.889 25124 4018 1 6 . 1 1 95 95 GLN HA H 95 4.005 4.005 4.120 -0.115 25124 4019 1 6 . 1 1 95 95 GLN C C 95 177.680 177.680 177.835 -0.155 25124 4020 1 6 . 1 1 95 95 GLN CA C 95 58.471 58.471 57.980 0.491 25124 4021 1 6 . 1 1 95 95 GLN CB C 95 28.334 28.334 28.588 -0.254 25124 4022 1 6 . 1 1 95 95 GLN H H 95 8.513 8.513 7.712 0.801 25124 4023 1 6 . 1 1 96 96 GLN N N 96 115.323 115.323 116.777 -1.454 25124 4024 1 6 . 1 1 96 96 GLN HA H 96 4.321 4.321 4.328 -0.007 25124 4025 1 6 . 1 1 96 96 GLN C C 96 175.538 175.538 176.509 -0.971 25124 4026 1 6 . 1 1 96 96 GLN CA C 96 55.379 55.379 55.952 -0.573 25124 4027 1 6 . 1 1 96 96 GLN CB C 96 28.915 28.915 29.822 -0.907 25124 4028 1 6 . 1 1 96 96 GLN H H 96 7.774 7.774 7.704 0.070 25124 4029 1 6 . 1 1 97 97 GLY N N 97 104.173 104.173 105.737 -1.564 25124 4030 1 6 . 1 1 97 97 GLY C C 97 175.168 175.168 173.763 1.405 25124 4031 1 6 . 1 1 97 97 GLY CA C 97 45.491 45.491 44.808 0.683 25124 4032 1 6 . 1 1 97 97 GLY H H 97 7.576 7.576 7.824 -0.248 25124 4033 1 6 . 1 1 98 98 ALA N N 98 123.484 123.484 121.691 1.793 25124 4034 1 6 . 1 1 98 98 ALA HA H 98 4.266 4.266 4.407 -0.141 25124 4035 1 6 . 1 1 98 98 ALA C C 98 176.067 176.067 176.450 -0.383 25124 4036 1 6 . 1 1 98 98 ALA CA C 98 53.008 53.008 52.484 0.524 25124 4037 1 6 . 1 1 98 98 ALA CB C 98 18.556 18.556 19.771 -1.215 25124 4038 1 6 . 1 1 98 98 ALA H H 98 8.358 8.358 7.746 0.612 25124 4039 1 6 . 1 1 99 99 PHE N N 99 123.551 123.551 120.855 2.696 25124 4040 1 6 . 1 1 99 99 PHE HA H 99 4.259 4.259 4.775 -0.516 25124 4041 1 6 . 1 1 99 99 PHE C C 99 175.432 175.432 175.502 -0.070 25124 4042 1 6 . 1 1 99 99 PHE CA C 99 60.274 60.274 59.369 0.905 25124 4043 1 6 . 1 1 99 99 PHE CB C 99 40.375 40.375 41.128 -0.753 25124 4044 1 6 . 1 1 99 99 PHE H H 99 9.477 9.477 8.335 1.142 25124 4045 1 6 . 1 1 100 100 ASP N N 100 110.678 110.678 115.134 -4.456 25124 4046 1 6 . 1 1 100 100 ASP HA H 100 4.547 4.547 4.829 -0.282 25124 4047 1 6 . 1 1 100 100 ASP C C 100 173.053 173.053 173.549 -0.496 25124 4048 1 6 . 1 1 100 100 ASP CA C 100 52.527 52.527 53.661 -1.134 25124 4049 1 6 . 1 1 100 100 ASP CB C 100 44.789 44.789 44.235 0.554 25124 4050 1 6 . 1 1 100 100 ASP H H 100 7.683 7.683 8.139 -0.456 25124 4051 1 6 . 1 1 101 101 TYR N N 101 122.174 122.174 121.566 0.608 25124 4052 1 6 . 1 1 101 101 TYR HA H 101 5.425 5.425 5.243 0.182 25124 4053 1 6 . 1 1 101 101 TYR C C 101 172.550 172.550 174.445 -1.895 25124 4054 1 6 . 1 1 101 101 TYR CA C 101 55.865 55.865 56.422 -0.557 25124 4055 1 6 . 1 1 101 101 TYR CB C 101 41.760 41.760 39.358 2.402 25124 4056 1 6 . 1 1 101 101 TYR H H 101 9.874 9.874 8.670 1.204 25124 4057 1 6 . 1 1 102 102 LEU N N 102 129.337 129.337 129.631 -0.294 25124 4058 1 6 . 1 1 102 102 LEU HA H 102 4.677 4.677 4.662 0.015 25124 4059 1 6 . 1 1 102 102 LEU CA C 102 50.418 50.418 50.697 -0.279 25124 4060 1 6 . 1 1 102 102 LEU CB C 102 45.066 45.066 43.612 1.454 25124 4061 1 6 . 1 1 102 102 LEU H H 102 8.974 8.974 8.000 0.974 25124 4062 1 6 . 1 1 103 103 PRO HA H 103 4.552 4.552 4.430 0.122 25124 4063 1 6 . 1 1 103 103 PRO C C 103 176.067 176.067 175.565 0.502 25124 4064 1 6 . 1 1 103 103 PRO CA C 103 61.951 61.951 62.242 -0.291 25124 4065 1 6 . 1 1 103 103 PRO CB C 103 31.829 31.829 32.221 -0.392 25124 4066 1 6 . 1 1 104 104 LYS N N 104 118.403 118.403 120.020 -1.617 25124 4067 1 6 . 1 1 104 104 LYS HA H 104 4.459 4.459 4.936 -0.477 25124 4068 1 6 . 1 1 104 104 LYS CA C 104 53.204 53.204 53.193 0.011 25124 4069 1 6 . 1 1 104 104 LYS CB C 104 34.500 34.500 32.005 2.495 25124 4070 1 6 . 1 1 104 104 LYS H H 104 8.013 8.013 8.187 -0.174 25124 4071 1 6 . 1 1 105 105 PRO HA H 105 4.258 4.258 4.420 -0.162 25124 4072 1 6 . 1 1 105 105 PRO C C 105 174.930 174.930 175.905 -0.975 25124 4073 1 6 . 1 1 105 105 PRO CA C 105 62.213 62.213 63.093 -0.880 25124 4074 1 6 . 1 1 105 105 PRO CB C 105 34.151 34.151 31.796 2.355 25124 4075 1 6 . 1 1 106 106 PHE N N 106 116.796 116.796 120.472 -3.676 25124 4076 1 6 . 1 1 106 106 PHE HA H 106 5.169 5.169 4.742 0.427 25124 4077 1 6 . 1 1 106 106 PHE C C 106 175.194 175.194 174.731 0.463 25124 4078 1 6 . 1 1 106 106 PHE CA C 106 53.244 53.244 55.387 -2.143 25124 4079 1 6 . 1 1 106 106 PHE CB C 106 40.477 40.477 40.920 -0.443 25124 4080 1 6 . 1 1 106 106 PHE H H 106 7.399 7.399 7.367 0.032 25124 4081 1 6 . 1 1 107 107 ASP N N 107 122.212 122.212 122.739 -0.527 25124 4082 1 6 . 1 1 107 107 ASP HA H 107 4.823 4.823 4.945 -0.122 25124 4083 1 6 . 1 1 107 107 ASP C C 107 177.812 177.812 177.480 0.332 25124 4084 1 6 . 1 1 107 107 ASP CA C 107 53.392 53.392 53.462 -0.071 25124 4085 1 6 . 1 1 107 107 ASP CB C 107 42.455 42.455 41.375 1.080 25124 4086 1 6 . 1 1 107 107 ASP H H 107 9.047 9.047 8.616 0.431 25124 4087 1 6 . 1 1 108 108 ILE N N 108 127.963 127.963 122.494 5.469 25124 4088 1 6 . 1 1 108 108 ILE HA H 108 3.949 3.949 3.927 0.022 25124 4089 1 6 . 1 1 108 108 ILE C C 108 176.226 176.226 177.076 -0.850 25124 4090 1 6 . 1 1 108 108 ILE CA C 108 63.105 63.105 64.207 -1.102 25124 4091 1 6 . 1 1 108 108 ILE CB C 108 37.665 37.665 37.189 0.476 25124 4092 1 6 . 1 1 108 108 ILE H H 108 8.898 8.898 8.525 0.373 25124 4093 1 6 . 1 1 109 109 ASP N N 109 119.804 119.804 120.664 -0.860 25124 4094 1 6 . 1 1 109 109 ASP HA H 109 4.393 4.393 4.348 0.045 25124 4095 1 6 . 1 1 109 109 ASP C C 109 179.848 179.848 178.775 1.073 25124 4096 1 6 . 1 1 109 109 ASP CA C 109 57.483 57.483 57.915 -0.432 25124 4097 1 6 . 1 1 109 109 ASP CB C 109 39.986 39.986 40.419 -0.432 25124 4098 1 6 . 1 1 109 109 ASP H H 109 8.098 8.098 8.526 -0.428 25124 4099 1 6 . 1 1 110 110 GLU N N 110 121.667 121.667 118.664 3.003 25124 4100 1 6 . 1 1 110 110 GLU HA H 110 4.085 4.085 4.332 -0.247 25124 4101 1 6 . 1 1 110 110 GLU C C 110 178.976 178.976 178.054 0.922 25124 4102 1 6 . 1 1 110 110 GLU CA C 110 58.790 58.790 58.118 0.672 25124 4103 1 6 . 1 1 110 110 GLU CB C 110 29.330 29.330 29.802 -0.472 25124 4104 1 6 . 1 1 110 110 GLU H H 110 8.059 8.059 8.085 -0.026 25124 4105 1 6 . 1 1 111 111 ALA N N 111 122.208 122.208 123.079 -0.871 25124 4106 1 6 . 1 1 111 111 ALA HA H 111 3.758 3.758 4.195 -0.437 25124 4107 1 6 . 1 1 111 111 ALA C C 111 178.605 178.605 179.431 -0.826 25124 4108 1 6 . 1 1 111 111 ALA CA C 111 55.320 55.320 54.986 0.334 25124 4109 1 6 . 1 1 111 111 ALA CB C 111 18.174 18.174 18.407 -0.233 25124 4110 1 6 . 1 1 111 111 ALA H H 111 7.903 7.903 7.592 0.311 25124 4111 1 6 . 1 1 112 112 VAL N N 112 116.429 116.429 118.290 -1.861 25124 4112 1 6 . 1 1 112 112 VAL HA H 112 3.194 3.194 3.622 -0.428 25124 4113 1 6 . 1 1 112 112 VAL C C 112 177.230 177.230 177.892 -0.662 25124 4114 1 6 . 1 1 112 112 VAL CA C 112 67.154 67.154 67.177 -0.022 25124 4115 1 6 . 1 1 112 112 VAL CB C 112 31.538 31.538 31.221 0.317 25124 4116 1 6 . 1 1 112 112 VAL H H 112 8.032 8.032 8.597 -0.565 25124 4117 1 6 . 1 1 113 113 ALA N N 113 120.198 120.198 120.474 -0.276 25124 4118 1 6 . 1 1 113 113 ALA HA H 113 4.159 4.159 4.257 -0.098 25124 4119 1 6 . 1 1 113 113 ALA C C 113 180.589 180.589 179.302 1.287 25124 4120 1 6 . 1 1 113 113 ALA CA C 113 54.902 54.902 54.327 0.575 25124 4121 1 6 . 1 1 113 113 ALA CB C 113 17.980 17.980 18.681 -0.701 25124 4122 1 6 . 1 1 113 113 ALA H H 113 7.723 7.723 7.847 -0.124 25124 4123 1 6 . 1 1 114 114 LEU N N 114 120.742 120.742 120.013 0.729 25124 4124 1 6 . 1 1 114 114 LEU HA H 114 4.102 4.102 4.199 -0.097 25124 4125 1 6 . 1 1 114 114 LEU C C 114 178.605 178.605 178.306 0.299 25124 4126 1 6 . 1 1 114 114 LEU CA C 114 58.181 58.181 57.228 0.953 25124 4127 1 6 . 1 1 114 114 LEU CB C 114 42.032 42.032 42.145 -0.113 25124 4128 1 6 . 1 1 114 114 LEU H H 114 7.928 7.928 7.355 0.573 25124 4129 1 6 . 1 1 115 115 VAL N N 115 119.478 119.478 119.347 0.131 25124 4130 1 6 . 1 1 115 115 VAL HA H 115 3.250 3.250 3.632 -0.382 25124 4131 1 6 . 1 1 115 115 VAL C C 115 177.548 177.548 178.232 -0.684 25124 4132 1 6 . 1 1 115 115 VAL CA C 115 67.168 67.168 65.975 1.193 25124 4133 1 6 . 1 1 115 115 VAL CB C 115 30.760 30.760 30.959 -0.199 25124 4134 1 6 . 1 1 115 115 VAL H H 115 7.846 7.846 8.235 -0.389 25124 4135 1 6 . 1 1 116 116 GLU N N 116 117.570 117.570 117.730 -0.160 25124 4136 1 6 . 1 1 116 116 GLU HA H 116 3.809 3.809 4.133 -0.324 25124 4137 1 6 . 1 1 116 116 GLU C C 116 179.557 179.557 178.822 0.735 25124 4138 1 6 . 1 1 116 116 GLU CA C 116 59.974 59.974 58.474 1.500 25124 4139 1 6 . 1 1 116 116 GLU CB C 116 29.084 29.084 29.036 0.048 25124 4140 1 6 . 1 1 116 116 GLU H H 116 8.462 8.462 7.988 0.474 25124 4141 1 6 . 1 1 117 117 ARG N N 117 120.263 120.263 119.874 0.389 25124 4142 1 6 . 1 1 117 117 ARG HA H 117 4.109 4.109 4.090 0.019 25124 4143 1 6 . 1 1 117 117 ARG C C 117 178.500 178.500 178.370 0.130 25124 4144 1 6 . 1 1 117 117 ARG CA C 117 59.411 59.411 59.590 -0.179 25124 4145 1 6 . 1 1 117 117 ARG CB C 117 30.414 30.414 30.228 0.186 25124 4146 1 6 . 1 1 117 117 ARG H H 117 8.090 8.090 7.637 0.453 25124 4147 1 6 . 1 1 118 118 ALA N N 118 122.157 122.157 119.254 2.903 25124 4148 1 6 . 1 1 118 118 ALA HA H 118 3.467 3.467 3.944 -0.477 25124 4149 1 6 . 1 1 118 118 ALA C C 118 178.632 178.632 179.087 -0.455 25124 4150 1 6 . 1 1 118 118 ALA CA C 118 54.739 54.739 53.801 0.938 25124 4151 1 6 . 1 1 118 118 ALA CB C 118 18.280 18.280 17.901 0.379 25124 4152 1 6 . 1 1 118 118 ALA H H 118 8.005 8.005 7.168 0.837 25124 4153 1 6 . 1 1 119 119 ILE N N 119 115.429 115.429 118.545 -3.116 25124 4154 1 6 . 1 1 119 119 ILE HA H 119 3.706 3.706 3.835 -0.129 25124 4155 1 6 . 1 1 119 119 ILE C C 119 177.442 177.442 178.652 -1.210 25124 4156 1 6 . 1 1 119 119 ILE CA C 119 63.910 63.910 64.300 -0.390 25124 4157 1 6 . 1 1 119 119 ILE CB C 119 37.939 37.939 37.408 0.531 25124 4158 1 6 . 1 1 119 119 ILE H H 119 7.788 7.788 7.403 0.385 25124 4159 1 6 . 1 1 120 120 SER N N 120 114.902 114.902 116.347 -1.445 25124 4160 1 6 . 1 1 120 120 SER HA H 120 4.285 4.285 4.088 0.197 25124 4161 1 6 . 1 1 120 120 SER C C 120 175.142 175.142 176.293 -1.151 25124 4162 1 6 . 1 1 120 120 SER CA C 120 59.871 59.871 61.595 -1.724 25124 4163 1 6 . 1 1 120 120 SER CB C 120 63.522 63.522 62.854 0.668 25124 4164 1 6 . 1 1 120 120 SER H H 120 7.881 7.881 8.592 -0.711 25124 4165 1 6 . 1 1 121 121 HIS N N 121 119.927 119.927 120.485 -0.558 25124 4166 1 6 . 1 1 121 121 HIS HA H 121 4.439 4.439 4.201 0.238 25124 4167 1 6 . 1 1 121 121 HIS C C 121 174.957 174.957 175.529 -0.572 25124 4168 1 6 . 1 1 121 121 HIS CA C 121 57.362 57.362 58.421 -1.059 25124 4169 1 6 . 1 1 121 121 HIS CB C 121 29.496 29.496 29.774 -0.278 25124 4170 1 6 . 1 1 121 121 HIS H H 121 7.960 7.960 7.732 0.228 25124 4171 1 6 . 1 1 122 122 TYR N N 122 118.745 118.745 117.567 1.178 25124 4172 1 6 . 1 1 122 122 TYR HA H 122 4.455 4.455 4.711 -0.256 25124 4173 1 6 . 1 1 122 122 TYR C C 122 175.353 175.353 174.852 0.501 25124 4174 1 6 . 1 1 122 122 TYR CA C 122 58.528 58.528 56.370 2.158 25124 4175 1 6 . 1 1 122 122 TYR CB C 122 38.726 38.726 37.987 0.739 25124 4176 1 6 . 1 1 122 122 TYR H H 122 7.776 7.776 7.534 0.242 25124 4177 1 6 . 1 1 123 123 GLN N N 123 121.424 121.424 121.319 0.105 25124 4178 1 6 . 1 1 123 123 GLN HA H 123 4.294 4.294 4.127 0.167 25124 4179 1 6 . 1 1 123 123 GLN C C 123 174.560 174.560 175.131 -0.571 25124 4180 1 6 . 1 1 123 123 GLN CA C 123 55.658 55.658 57.329 -1.671 25124 4181 1 6 . 1 1 123 123 GLN CB C 123 29.877 29.877 29.581 0.296 25124 4182 1 6 . 1 1 123 123 GLN H H 123 7.904 7.904 7.936 -0.032 25124 4183 1 7 . 1 1 2 2 GLN HA H 2 4.453 4.453 4.444 0.009 25124 4184 1 7 . 1 1 2 2 GLN C C 2 174.930 174.930 175.432 -0.502 25124 4185 1 7 . 1 1 2 2 GLN CA C 2 55.627 55.627 55.638 -0.011 25124 4186 1 7 . 1 1 2 2 GLN CB C 2 29.312 29.312 30.803 -1.491 25124 4187 1 7 . 1 1 3 3 ARG N N 3 121.349 121.349 117.501 3.848 25124 4188 1 7 . 1 1 3 3 ARG HA H 3 4.390 4.390 4.004 0.386 25124 4189 1 7 . 1 1 3 3 ARG C C 3 175.723 175.723 174.627 1.096 25124 4190 1 7 . 1 1 3 3 ARG CA C 3 56.041 56.041 57.054 -1.013 25124 4191 1 7 . 1 1 3 3 ARG CB C 3 31.395 31.395 30.220 1.175 25124 4192 1 7 . 1 1 3 3 ARG H H 3 8.451 8.451 7.846 0.605 25124 4193 1 7 . 1 1 4 4 GLY N N 4 107.889 107.889 107.925 -0.036 25124 4194 1 7 . 1 1 4 4 GLY C C 4 171.122 171.122 172.134 -1.012 25124 4195 1 7 . 1 1 4 4 GLY CA C 4 45.333 45.333 44.433 0.900 25124 4196 1 7 . 1 1 4 4 GLY H H 4 8.037 8.037 8.256 -0.219 25124 4197 1 7 . 1 1 5 5 ILE N N 5 122.674 122.674 120.282 2.392 25124 4198 1 7 . 1 1 5 5 ILE HA H 5 4.731 4.731 4.036 0.695 25124 4199 1 7 . 1 1 5 5 ILE C C 5 175.459 175.459 174.689 0.770 25124 4200 1 7 . 1 1 5 5 ILE CA C 5 60.614 60.614 62.020 -1.406 25124 4201 1 7 . 1 1 5 5 ILE CB C 5 39.535 39.535 38.623 0.912 25124 4202 1 7 . 1 1 5 5 ILE H H 5 9.605 9.605 8.298 1.307 25124 4203 1 7 . 1 1 6 6 VAL N N 6 127.532 127.532 125.450 2.082 25124 4204 1 7 . 1 1 6 6 VAL HA H 6 4.892 4.892 4.425 0.467 25124 4205 1 7 . 1 1 6 6 VAL C C 6 174.110 174.110 174.522 -0.412 25124 4206 1 7 . 1 1 6 6 VAL CA C 6 59.255 59.255 61.050 -1.795 25124 4207 1 7 . 1 1 6 6 VAL CB C 6 34.530 34.530 32.892 1.638 25124 4208 1 7 . 1 1 6 6 VAL H H 6 9.135 9.135 8.110 1.025 25124 4209 1 7 . 1 1 7 7 TRP N N 7 127.409 127.409 128.749 -1.340 25124 4210 1 7 . 1 1 7 7 TRP HA H 7 6.447 6.447 5.282 1.165 25124 4211 1 7 . 1 1 7 7 TRP C C 7 175.089 175.089 175.319 -0.230 25124 4212 1 7 . 1 1 7 7 TRP CA C 7 52.797 52.797 54.167 -1.370 25124 4213 1 7 . 1 1 7 7 TRP CB C 7 33.255 33.255 30.970 2.285 25124 4214 1 7 . 1 1 7 7 TRP H H 7 8.544 8.544 8.084 0.460 25124 4215 1 7 . 1 1 8 8 VAL N N 8 122.270 122.270 124.224 -1.954 25124 4216 1 7 . 1 1 8 8 VAL HA H 8 5.135 5.135 4.425 0.710 25124 4217 1 7 . 1 1 8 8 VAL C C 8 173.820 173.820 173.815 0.005 25124 4218 1 7 . 1 1 8 8 VAL CA C 8 60.457 60.457 61.465 -1.008 25124 4219 1 7 . 1 1 8 8 VAL CB C 8 35.893 35.893 34.414 1.479 25124 4220 1 7 . 1 1 8 8 VAL H H 8 8.643 8.643 8.548 0.095 25124 4221 1 7 . 1 1 9 9 VAL N N 9 126.806 126.806 128.888 -2.082 25124 4222 1 7 . 1 1 9 9 VAL HA H 9 5.192 5.192 4.387 0.805 25124 4223 1 7 . 1 1 9 9 VAL C C 9 172.550 172.550 173.968 -1.418 25124 4224 1 7 . 1 1 9 9 VAL CA C 9 58.384 58.384 60.160 -1.776 25124 4225 1 7 . 1 1 9 9 VAL CB C 9 34.135 34.135 32.038 2.097 25124 4226 1 7 . 1 1 9 9 VAL H H 9 9.113 9.113 8.392 0.721 25124 4227 1 7 . 1 1 10 10 ASP N N 10 125.011 125.011 125.615 -0.604 25124 4228 1 7 . 1 1 10 10 ASP HA H 10 4.554 4.554 4.846 -0.292 25124 4229 1 7 . 1 1 10 10 ASP C C 10 174.877 174.877 174.445 0.432 25124 4230 1 7 . 1 1 10 10 ASP CA C 10 55.066 55.066 52.779 2.288 25124 4231 1 7 . 1 1 10 10 ASP CB C 10 44.131 44.131 43.875 0.256 25124 4232 1 7 . 1 1 10 10 ASP H H 10 7.881 7.881 7.980 -0.099 25124 4233 1 7 . 1 1 11 11 ASP N N 11 124.048 124.048 120.661 3.387 25124 4234 1 7 . 1 1 11 11 ASP HA H 11 4.613 4.613 4.792 -0.179 25124 4235 1 7 . 1 1 11 11 ASP C C 11 175.089 175.089 174.819 0.270 25124 4236 1 7 . 1 1 11 11 ASP CA C 11 55.346 55.346 53.637 1.709 25124 4237 1 7 . 1 1 11 11 ASP CB C 11 39.583 39.583 40.652 -1.069 25124 4238 1 7 . 1 1 11 11 ASP H H 11 9.166 9.166 8.819 0.347 25124 4239 1 7 . 1 1 12 12 ASP N N 12 125.165 125.165 120.154 5.011 25124 4240 1 7 . 1 1 12 12 ASP HA H 12 4.757 4.757 4.796 -0.039 25124 4241 1 7 . 1 1 12 12 ASP C C 12 176.993 176.993 176.660 0.333 25124 4242 1 7 . 1 1 12 12 ASP CA C 12 53.112 53.112 53.835 -0.723 25124 4243 1 7 . 1 1 12 12 ASP CB C 12 41.072 41.072 42.081 -1.009 25124 4244 1 7 . 1 1 12 12 ASP H H 12 10.290 10.290 7.713 2.577 25124 4245 1 7 . 1 1 13 13 SER N N 13 123.818 123.818 118.729 5.089 25124 4246 1 7 . 1 1 13 13 SER HA H 13 3.719 3.719 4.087 -0.368 25124 4247 1 7 . 1 1 13 13 SER C C 13 176.146 176.146 176.003 0.143 25124 4248 1 7 . 1 1 13 13 SER CA C 13 61.341 61.341 60.835 0.506 25124 4249 1 7 . 1 1 13 13 SER CB C 13 62.638 62.638 63.163 -0.525 25124 4250 1 7 . 1 1 13 13 SER H H 13 8.993 8.993 8.740 0.253 25124 4251 1 7 . 1 1 14 14 SER N N 14 118.714 118.714 117.601 1.113 25124 4252 1 7 . 1 1 14 14 SER HA H 14 4.322 4.322 4.396 -0.074 25124 4253 1 7 . 1 1 14 14 SER C C 14 176.411 176.411 176.533 -0.122 25124 4254 1 7 . 1 1 14 14 SER CA C 14 61.717 61.717 61.553 0.164 25124 4255 1 7 . 1 1 14 14 SER CB C 14 62.554 62.554 62.976 -0.422 25124 4256 1 7 . 1 1 14 14 SER H H 14 8.499 8.499 8.498 0.001 25124 4257 1 7 . 1 1 15 15 ILE N N 15 122.822 122.822 120.097 2.725 25124 4258 1 7 . 1 1 15 15 ILE HA H 15 3.972 3.972 4.018 -0.046 25124 4259 1 7 . 1 1 15 15 ILE C C 15 177.786 177.786 177.667 0.119 25124 4260 1 7 . 1 1 15 15 ILE CA C 15 60.784 60.784 61.575 -0.791 25124 4261 1 7 . 1 1 15 15 ILE CB C 15 36.016 36.016 37.001 -0.985 25124 4262 1 7 . 1 1 15 15 ILE H H 15 7.011 7.011 7.810 -0.799 25124 4263 1 7 . 1 1 16 16 ARG N N 16 116.580 116.580 120.464 -3.884 25124 4264 1 7 . 1 1 16 16 ARG HA H 16 3.711 3.711 4.102 -0.391 25124 4265 1 7 . 1 1 16 16 ARG C C 16 177.336 177.336 178.360 -1.024 25124 4266 1 7 . 1 1 16 16 ARG CA C 16 61.632 61.632 59.780 1.852 25124 4267 1 7 . 1 1 16 16 ARG CB C 16 30.520 30.520 30.075 0.445 25124 4268 1 7 . 1 1 16 16 ARG H H 16 7.370 7.370 7.992 -0.622 25124 4269 1 7 . 1 1 17 17 TRP N N 17 116.893 116.893 122.068 -5.175 25124 4270 1 7 . 1 1 17 17 TRP HA H 17 4.481 4.481 4.339 0.142 25124 4271 1 7 . 1 1 17 17 TRP C C 17 178.394 178.394 178.154 0.240 25124 4272 1 7 . 1 1 17 17 TRP CA C 17 60.482 60.482 61.533 -1.051 25124 4273 1 7 . 1 1 17 17 TRP CB C 17 29.372 29.372 29.259 0.113 25124 4274 1 7 . 1 1 17 17 TRP H H 17 8.020 8.020 8.558 -0.538 25124 4275 1 7 . 1 1 18 18 VAL N N 18 116.799 116.799 115.767 1.032 25124 4276 1 7 . 1 1 18 18 VAL HA H 18 3.662 3.662 2.579 1.083 25124 4277 1 7 . 1 1 18 18 VAL C C 18 179.161 179.161 177.723 1.438 25124 4278 1 7 . 1 1 18 18 VAL CA C 18 65.858 65.858 65.067 0.791 25124 4279 1 7 . 1 1 18 18 VAL CB C 18 31.792 31.792 30.949 0.843 25124 4280 1 7 . 1 1 18 18 VAL H H 18 8.085 8.085 7.403 0.682 25124 4281 1 7 . 1 1 19 19 LEU N N 19 119.595 119.595 120.581 -0.986 25124 4282 1 7 . 1 1 19 19 LEU HA H 19 4.083 4.083 3.802 0.281 25124 4283 1 7 . 1 1 19 19 LEU C C 19 177.759 177.759 178.761 -1.002 25124 4284 1 7 . 1 1 19 19 LEU CA C 19 57.971 57.971 57.751 0.220 25124 4285 1 7 . 1 1 19 19 LEU CB C 19 41.863 41.863 41.573 0.290 25124 4286 1 7 . 1 1 19 19 LEU H H 19 8.035 8.035 7.235 0.800 25124 4287 1 7 . 1 1 20 20 GLU N N 20 120.318 120.318 119.283 1.035 25124 4288 1 7 . 1 1 20 20 GLU HA H 20 4.007 4.007 3.825 0.182 25124 4289 1 7 . 1 1 20 20 GLU C C 20 178.500 178.500 179.224 -0.724 25124 4290 1 7 . 1 1 20 20 GLU CA C 20 60.567 60.567 59.656 0.911 25124 4291 1 7 . 1 1 20 20 GLU CB C 20 29.073 29.073 29.453 -0.380 25124 4292 1 7 . 1 1 20 20 GLU H H 20 8.417 8.417 8.082 0.335 25124 4293 1 7 . 1 1 21 21 ARG N N 21 115.981 115.981 117.236 -1.255 25124 4294 1 7 . 1 1 21 21 ARG HA H 21 3.898 3.898 3.920 -0.022 25124 4295 1 7 . 1 1 21 21 ARG C C 21 179.769 179.769 178.049 1.720 25124 4296 1 7 . 1 1 21 21 ARG CA C 21 58.491 58.491 58.660 -0.169 25124 4297 1 7 . 1 1 21 21 ARG CB C 21 29.966 29.966 29.695 0.271 25124 4298 1 7 . 1 1 21 21 ARG H H 21 7.579 7.579 8.062 -0.483 25124 4299 1 7 . 1 1 22 22 ALA N N 22 122.267 122.267 121.793 0.474 25124 4300 1 7 . 1 1 22 22 ALA HA H 22 4.110 4.110 4.097 0.013 25124 4301 1 7 . 1 1 22 22 ALA C C 22 180.456 180.456 179.142 1.314 25124 4302 1 7 . 1 1 22 22 ALA CA C 22 54.643 54.643 54.466 0.177 25124 4303 1 7 . 1 1 22 22 ALA CB C 22 19.225 19.225 19.078 0.147 25124 4304 1 7 . 1 1 22 22 ALA H H 22 7.933 7.933 7.652 0.281 25124 4305 1 7 . 1 1 23 23 LEU N N 23 118.139 118.139 119.880 -1.741 25124 4306 1 7 . 1 1 23 23 LEU HA H 23 4.005 4.005 3.861 0.144 25124 4307 1 7 . 1 1 23 23 LEU C C 23 178.843 178.843 179.436 -0.593 25124 4308 1 7 . 1 1 23 23 LEU CA C 23 57.765 57.765 57.904 -0.139 25124 4309 1 7 . 1 1 23 23 LEU CB C 23 39.919 39.919 41.352 -1.433 25124 4310 1 7 . 1 1 23 23 LEU H H 23 8.855 8.855 8.478 0.377 25124 4311 1 7 . 1 1 24 24 ALA N N 24 122.164 122.164 119.759 2.405 25124 4312 1 7 . 1 1 24 24 ALA HA H 24 4.665 4.665 4.044 0.621 25124 4313 1 7 . 1 1 24 24 ALA C C 24 183.206 183.206 179.529 3.677 25124 4314 1 7 . 1 1 24 24 ALA CA C 24 54.812 54.812 54.499 0.313 25124 4315 1 7 . 1 1 24 24 ALA CB C 24 17.820 17.820 18.302 -0.482 25124 4316 1 7 . 1 1 24 24 ALA H H 24 8.238 8.238 8.026 0.212 25124 4317 1 7 . 1 1 25 25 GLY N N 25 106.903 106.903 105.715 1.188 25124 4318 1 7 . 1 1 25 25 GLY C C 25 174.375 174.375 175.358 -0.983 25124 4319 1 7 . 1 1 25 25 GLY CA C 25 46.550 46.550 45.630 0.920 25124 4320 1 7 . 1 1 25 25 GLY H H 25 7.907 7.907 7.755 0.152 25124 4321 1 7 . 1 1 26 26 ALA N N 26 121.832 121.832 122.947 -1.115 25124 4322 1 7 . 1 1 26 26 ALA HA H 26 4.505 4.505 4.620 -0.115 25124 4323 1 7 . 1 1 26 26 ALA CA C 26 51.585 51.585 51.356 0.229 25124 4324 1 7 . 1 1 26 26 ALA CB C 26 18.799 18.799 18.958 -0.159 25124 4325 1 7 . 1 1 26 26 ALA H H 26 7.316 7.316 7.894 -0.578 25124 4326 1 7 . 1 1 27 27 GLY N N 27 106.146 106.146 106.673 -0.527 25124 4327 1 7 . 1 1 27 27 GLY C C 27 174.057 174.057 174.706 -0.649 25124 4328 1 7 . 1 1 27 27 GLY CA C 27 45.333 45.333 45.161 0.172 25124 4329 1 7 . 1 1 27 27 GLY H H 27 7.868 7.868 7.834 0.034 25124 4330 1 7 . 1 1 28 28 LEU N N 28 120.273 120.273 120.928 -0.655 25124 4331 1 7 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.205 0.370 25124 4332 1 7 . 1 1 28 28 LEU C C 28 175.988 175.988 177.533 -1.545 25124 4333 1 7 . 1 1 28 28 LEU CA C 28 53.881 53.881 54.661 -0.780 25124 4334 1 7 . 1 1 28 28 LEU CB C 28 42.540 42.540 42.108 0.432 25124 4335 1 7 . 1 1 28 28 LEU H H 28 7.659 7.659 7.576 0.083 25124 4336 1 7 . 1 1 29 29 THR N N 29 118.173 118.173 119.003 -0.830 25124 4337 1 7 . 1 1 29 29 THR HA H 29 4.346 4.346 4.174 0.172 25124 4338 1 7 . 1 1 29 29 THR C C 29 173.344 173.344 173.545 -0.201 25124 4339 1 7 . 1 1 29 29 THR CA C 29 62.598 62.598 63.710 -1.112 25124 4340 1 7 . 1 1 29 29 THR CB C 29 69.423 69.423 69.363 0.060 25124 4341 1 7 . 1 1 29 29 THR H H 29 8.562 8.562 8.184 0.378 25124 4342 1 7 . 1 1 30 30 CYS N N 30 128.450 128.450 127.293 1.157 25124 4343 1 7 . 1 1 30 30 CYS HA H 30 6.012 6.012 4.757 1.255 25124 4344 1 7 . 1 1 30 30 CYS C C 30 173.978 173.978 173.937 0.041 25124 4345 1 7 . 1 1 30 30 CYS CA C 30 56.424 56.424 57.647 -1.223 25124 4346 1 7 . 1 1 30 30 CYS CB C 30 29.615 29.615 28.610 1.005 25124 4347 1 7 . 1 1 30 30 CYS H H 30 9.035 9.035 8.616 0.419 25124 4348 1 7 . 1 1 31 31 THR N N 31 126.377 126.377 124.811 1.566 25124 4349 1 7 . 1 1 31 31 THR HA H 31 4.442 4.442 4.601 -0.159 25124 4350 1 7 . 1 1 31 31 THR C C 31 172.683 172.683 172.566 0.117 25124 4351 1 7 . 1 1 31 31 THR CA C 31 61.956 61.956 61.658 0.298 25124 4352 1 7 . 1 1 31 31 THR CB C 31 70.624 70.624 71.855 -1.231 25124 4353 1 7 . 1 1 31 31 THR H H 31 8.510 8.510 8.517 -0.007 25124 4354 1 7 . 1 1 32 32 THR N N 32 115.988 115.988 112.800 3.188 25124 4355 1 7 . 1 1 32 32 THR HA H 32 5.454 5.454 4.803 0.651 25124 4356 1 7 . 1 1 32 32 THR C C 32 172.259 172.259 171.877 0.382 25124 4357 1 7 . 1 1 32 32 THR CA C 32 59.101 59.101 59.794 -0.693 25124 4358 1 7 . 1 1 32 32 THR CB C 32 71.173 71.173 71.156 0.017 25124 4359 1 7 . 1 1 32 32 THR H H 32 8.301 8.301 7.715 0.586 25124 4360 1 7 . 1 1 33 33 PHE N N 33 117.690 117.690 119.281 -1.591 25124 4361 1 7 . 1 1 33 33 PHE HA H 33 4.723 4.723 4.629 0.094 25124 4362 1 7 . 1 1 33 33 PHE C C 33 174.507 174.507 175.384 -0.877 25124 4363 1 7 . 1 1 33 33 PHE CA C 33 56.504 56.504 58.873 -2.369 25124 4364 1 7 . 1 1 33 33 PHE CB C 33 43.589 43.589 40.127 3.462 25124 4365 1 7 . 1 1 33 33 PHE H H 33 8.834 8.834 8.608 0.226 25124 4366 1 7 . 1 1 34 34 GLU N N 34 118.296 118.296 115.663 2.633 25124 4367 1 7 . 1 1 34 34 GLU HA H 34 4.451 4.451 4.505 -0.054 25124 4368 1 7 . 1 1 34 34 GLU C C 34 174.957 174.957 174.024 0.933 25124 4369 1 7 . 1 1 34 34 GLU CA C 34 56.661 56.661 57.117 -0.457 25124 4370 1 7 . 1 1 34 34 GLU CB C 34 31.792 31.792 31.936 -0.144 25124 4371 1 7 . 1 1 34 34 GLU H H 34 9.096 9.096 8.595 0.501 25124 4372 1 7 . 1 1 35 35 ASN N N 35 108.486 108.486 113.948 -5.462 25124 4373 1 7 . 1 1 35 35 ASN HA H 35 4.960 4.960 4.975 -0.015 25124 4374 1 7 . 1 1 35 35 ASN C C 35 175.353 175.353 176.704 -1.351 25124 4375 1 7 . 1 1 35 35 ASN CA C 35 52.364 52.364 51.388 0.976 25124 4376 1 7 . 1 1 35 35 ASN CB C 35 40.932 40.932 40.509 0.423 25124 4377 1 7 . 1 1 35 35 ASN H H 35 7.286 7.286 7.749 -0.463 25124 4378 1 7 . 1 1 36 36 GLY N N 36 105.329 105.329 107.564 -2.235 25124 4379 1 7 . 1 1 36 36 GLY C C 36 174.586 174.586 175.660 -1.074 25124 4380 1 7 . 1 1 36 36 GLY CA C 36 47.533 47.533 47.226 0.307 25124 4381 1 7 . 1 1 36 36 GLY H H 36 9.369 9.369 8.753 0.616 25124 4382 1 7 . 1 1 37 37 ASN N N 37 120.396 120.396 118.966 1.430 25124 4383 1 7 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.277 0.085 25124 4384 1 7 . 1 1 37 37 ASN C C 37 178.791 178.791 177.334 1.457 25124 4385 1 7 . 1 1 37 37 ASN CA C 37 56.843 56.843 55.769 1.074 25124 4386 1 7 . 1 1 37 37 ASN CB C 37 37.716 37.716 37.988 -0.272 25124 4387 1 7 . 1 1 37 37 ASN H H 37 8.440 8.440 8.300 0.140 25124 4388 1 7 . 1 1 38 38 GLU N N 38 119.334 119.334 119.145 0.189 25124 4389 1 7 . 1 1 38 38 GLU HA H 38 4.058 4.058 3.828 0.230 25124 4390 1 7 . 1 1 38 38 GLU C C 38 179.372 179.372 178.765 0.607 25124 4391 1 7 . 1 1 38 38 GLU CA C 38 58.790 58.790 59.169 -0.379 25124 4392 1 7 . 1 1 38 38 GLU CB C 38 30.692 30.692 29.513 1.179 25124 4393 1 7 . 1 1 38 38 GLU H H 38 8.063 8.063 8.040 0.023 25124 4394 1 7 . 1 1 39 39 VAL N N 39 119.047 119.047 119.930 -0.883 25124 4395 1 7 . 1 1 39 39 VAL HA H 39 2.599 2.599 2.877 -0.278 25124 4396 1 7 . 1 1 39 39 VAL C C 39 176.807 176.807 177.958 -1.151 25124 4397 1 7 . 1 1 39 39 VAL CA C 39 65.222 65.222 65.521 -0.299 25124 4398 1 7 . 1 1 39 39 VAL CB C 39 31.078 31.078 31.059 0.019 25124 4399 1 7 . 1 1 39 39 VAL H H 39 6.844 6.844 7.195 -0.351 25124 4400 1 7 . 1 1 40 40 LEU N N 40 118.385 118.385 120.990 -2.605 25124 4401 1 7 . 1 1 40 40 LEU HA H 40 3.929 3.929 3.863 0.066 25124 4402 1 7 . 1 1 40 40 LEU C C 40 179.584 179.584 178.143 1.441 25124 4403 1 7 . 1 1 40 40 LEU CA C 40 57.943 57.943 58.038 -0.095 25124 4404 1 7 . 1 1 40 40 LEU CB C 40 40.932 40.932 40.300 0.632 25124 4405 1 7 . 1 1 40 40 LEU H H 40 7.715 7.715 8.081 -0.366 25124 4406 1 7 . 1 1 41 41 ALA N N 41 120.091 120.091 120.024 0.067 25124 4407 1 7 . 1 1 41 41 ALA HA H 41 4.158 4.158 3.810 0.348 25124 4408 1 7 . 1 1 41 41 ALA C C 41 180.562 180.562 178.405 2.157 25124 4409 1 7 . 1 1 41 41 ALA CA C 41 54.717 54.717 54.882 -0.165 25124 4410 1 7 . 1 1 41 41 ALA CB C 41 17.853 17.853 17.984 -0.131 25124 4411 1 7 . 1 1 41 41 ALA H H 41 7.671 7.671 7.663 0.008 25124 4412 1 7 . 1 1 42 42 ALA N N 42 122.650 122.650 119.849 2.801 25124 4413 1 7 . 1 1 42 42 ALA HA H 42 4.221 4.221 4.233 -0.012 25124 4414 1 7 . 1 1 42 42 ALA C C 42 180.166 180.166 179.824 0.342 25124 4415 1 7 . 1 1 42 42 ALA CA C 42 54.974 54.974 54.207 0.767 25124 4416 1 7 . 1 1 42 42 ALA CB C 42 19.488 19.488 18.041 1.447 25124 4417 1 7 . 1 1 42 42 ALA H H 42 7.573 7.573 7.021 0.552 25124 4418 1 7 . 1 1 43 43 LEU N N 43 119.321 119.321 120.188 -0.867 25124 4419 1 7 . 1 1 43 43 LEU HA H 43 5.260 5.260 4.680 0.580 25124 4420 1 7 . 1 1 43 43 LEU C C 43 177.389 177.389 179.004 -1.615 25124 4421 1 7 . 1 1 43 43 LEU CA C 43 55.446 55.446 57.839 -2.393 25124 4422 1 7 . 1 1 43 43 LEU CB C 43 42.879 42.879 42.218 0.661 25124 4423 1 7 . 1 1 43 43 LEU H H 43 8.289 8.289 8.340 -0.051 25124 4424 1 7 . 1 1 44 44 ALA N N 44 118.995 118.995 119.206 -0.211 25124 4425 1 7 . 1 1 44 44 ALA HA H 44 4.232 4.232 4.173 0.059 25124 4426 1 7 . 1 1 44 44 ALA C C 44 178.738 178.738 178.410 0.328 25124 4427 1 7 . 1 1 44 44 ALA CA C 44 54.353 54.353 54.521 -0.168 25124 4428 1 7 . 1 1 44 44 ALA CB C 44 18.674 18.674 19.057 -0.383 25124 4429 1 7 . 1 1 44 44 ALA H H 44 7.307 7.307 7.988 -0.681 25124 4430 1 7 . 1 1 45 45 SER N N 45 108.530 108.530 111.600 -3.070 25124 4431 1 7 . 1 1 45 45 SER HA H 45 4.761 4.761 4.509 0.252 25124 4432 1 7 . 1 1 45 45 SER C C 45 173.344 173.344 175.052 -1.708 25124 4433 1 7 . 1 1 45 45 SER CA C 45 58.682 58.682 60.521 -1.839 25124 4434 1 7 . 1 1 45 45 SER CB C 45 65.446 65.446 64.150 1.296 25124 4435 1 7 . 1 1 45 45 SER H H 45 7.772 7.772 7.484 0.288 25124 4436 1 7 . 1 1 46 46 LYS N N 46 122.965 122.965 118.660 4.305 25124 4437 1 7 . 1 1 46 46 LYS HA H 46 4.608 4.608 4.605 0.003 25124 4438 1 7 . 1 1 46 46 LYS C C 46 172.815 172.815 173.662 -0.847 25124 4439 1 7 . 1 1 46 46 LYS CA C 46 55.601 55.601 55.365 0.236 25124 4440 1 7 . 1 1 46 46 LYS CB C 46 36.399 36.399 36.233 0.166 25124 4441 1 7 . 1 1 46 46 LYS H H 46 8.096 8.096 8.476 -0.380 25124 4442 1 7 . 1 1 47 47 THR N N 47 111.524 111.524 112.800 -1.276 25124 4443 1 7 . 1 1 47 47 THR HA H 47 4.307 4.307 4.418 -0.111 25124 4444 1 7 . 1 1 47 47 THR CA C 47 57.896 57.896 58.085 -0.189 25124 4445 1 7 . 1 1 47 47 THR CB C 47 70.570 70.570 69.759 0.811 25124 4446 1 7 . 1 1 47 47 THR H H 47 7.708 7.708 8.087 -0.379 25124 4447 1 7 . 1 1 48 48 PRO HA H 48 3.944 3.944 4.022 -0.078 25124 4448 1 7 . 1 1 48 48 PRO C C 48 173.079 173.079 175.960 -2.881 25124 4449 1 7 . 1 1 48 48 PRO CA C 48 60.922 60.922 62.005 -1.083 25124 4450 1 7 . 1 1 48 48 PRO CB C 48 30.353 30.353 32.073 -1.720 25124 4451 1 7 . 1 1 49 49 ASP N N 49 115.001 115.001 118.957 -3.956 25124 4452 1 7 . 1 1 49 49 ASP HA H 49 4.460 4.460 4.395 0.065 25124 4453 1 7 . 1 1 49 49 ASP C C 49 175.591 175.591 175.557 0.034 25124 4454 1 7 . 1 1 49 49 ASP CA C 49 56.504 56.504 55.668 0.836 25124 4455 1 7 . 1 1 49 49 ASP CB C 49 42.625 42.625 41.738 0.887 25124 4456 1 7 . 1 1 49 49 ASP H H 49 8.535 8.535 8.223 0.312 25124 4457 1 7 . 1 1 50 50 VAL N N 50 111.832 111.832 114.155 -2.323 25124 4458 1 7 . 1 1 50 50 VAL HA H 50 4.316 4.316 4.279 0.037 25124 4459 1 7 . 1 1 50 50 VAL C C 50 171.572 171.572 173.229 -1.657 25124 4460 1 7 . 1 1 50 50 VAL CA C 50 60.398 60.398 61.893 -1.495 25124 4461 1 7 . 1 1 50 50 VAL CB C 50 34.650 34.650 34.408 0.242 25124 4462 1 7 . 1 1 50 50 VAL H H 50 7.194 7.194 7.208 -0.014 25124 4463 1 7 . 1 1 51 51 LEU N N 51 127.785 127.785 128.278 -0.493 25124 4464 1 7 . 1 1 51 51 LEU HA H 51 5.376 5.376 5.540 -0.164 25124 4465 1 7 . 1 1 51 51 LEU C C 51 173.264 173.264 174.815 -1.551 25124 4466 1 7 . 1 1 51 51 LEU CA C 51 53.137 53.137 53.190 -0.053 25124 4467 1 7 . 1 1 51 51 LEU CB C 51 46.680 46.680 46.115 0.565 25124 4468 1 7 . 1 1 51 51 LEU H H 51 8.049 8.049 8.444 -0.395 25124 4469 1 7 . 1 1 52 52 LEU N N 52 128.943 128.943 126.288 2.655 25124 4470 1 7 . 1 1 52 52 LEU HA H 52 5.312 5.312 5.112 0.200 25124 4471 1 7 . 1 1 52 52 LEU C C 52 174.692 174.692 176.826 -2.134 25124 4472 1 7 . 1 1 52 52 LEU CA C 52 54.313 54.313 53.616 0.697 25124 4473 1 7 . 1 1 52 52 LEU CB C 52 43.961 43.961 40.973 2.988 25124 4474 1 7 . 1 1 52 52 LEU H H 52 9.278 9.278 8.062 1.216 25124 4475 1 7 . 1 1 53 53 SER N N 53 116.717 116.717 117.407 -0.690 25124 4476 1 7 . 1 1 53 53 SER HA H 53 5.395 5.395 4.310 1.085 25124 4477 1 7 . 1 1 53 53 SER C C 53 173.608 173.608 173.254 0.354 25124 4478 1 7 . 1 1 53 53 SER CA C 53 56.226 56.226 60.013 -3.787 25124 4479 1 7 . 1 1 53 53 SER CB C 53 65.753 65.753 64.431 1.322 25124 4480 1 7 . 1 1 53 53 SER H H 53 9.256 9.256 7.896 1.360 25124 4481 1 7 . 1 1 54 54 ASP N N 54 127.909 127.909 118.437 9.472 25124 4482 1 7 . 1 1 54 54 ASP HA H 54 5.622 5.622 5.143 0.479 25124 4483 1 7 . 1 1 54 54 ASP C C 54 175.723 175.723 175.287 0.436 25124 4484 1 7 . 1 1 54 54 ASP CA C 54 53.268 53.268 52.782 0.486 25124 4485 1 7 . 1 1 54 54 ASP CB C 54 44.386 44.386 43.878 0.508 25124 4486 1 7 . 1 1 54 54 ASP H H 54 8.219 8.219 8.544 -0.325 25124 4487 1 7 . 1 1 55 55 ILE N N 55 117.015 117.015 117.115 -0.100 25124 4488 1 7 . 1 1 55 55 ILE HA H 55 4.116 4.116 4.539 -0.423 25124 4489 1 7 . 1 1 55 55 ILE C C 55 176.913 176.913 174.587 2.326 25124 4490 1 7 . 1 1 55 55 ILE CA C 55 65.290 65.290 60.263 5.027 25124 4491 1 7 . 1 1 55 55 ILE CB C 55 38.487 38.487 36.937 1.550 25124 4492 1 7 . 1 1 55 55 ILE H H 55 7.812 7.812 8.517 -0.705 25124 4493 1 7 . 1 1 56 56 ARG N N 56 117.365 117.365 121.308 -3.943 25124 4494 1 7 . 1 1 56 56 ARG HA H 56 4.379 4.379 4.444 -0.064 25124 4495 1 7 . 1 1 56 56 ARG C C 56 172.788 172.788 173.671 -0.883 25124 4496 1 7 . 1 1 56 56 ARG CA C 56 57.034 57.034 56.431 0.604 25124 4497 1 7 . 1 1 56 56 ARG CB C 56 27.600 27.600 29.716 -2.116 25124 4498 1 7 . 1 1 56 56 ARG H H 56 8.991 8.991 8.038 0.953 25124 4499 1 7 . 1 1 57 57 MET N N 57 129.539 129.539 118.001 11.538 25124 4500 1 7 . 1 1 57 57 MET HA H 57 4.767 4.767 5.055 -0.288 25124 4501 1 7 . 1 1 57 57 MET CA C 57 53.641 53.641 53.031 0.610 25124 4502 1 7 . 1 1 57 57 MET CB C 57 36.484 36.484 34.370 2.114 25124 4503 1 7 . 1 1 57 57 MET H H 57 7.501 7.501 7.700 -0.199 25124 4504 1 7 . 1 1 58 58 PRO HA H 58 4.379 4.379 4.561 -0.182 25124 4505 1 7 . 1 1 58 58 PRO C C 58 177.495 177.495 175.583 1.912 25124 4506 1 7 . 1 1 58 58 PRO CA C 58 63.104 63.104 63.529 -0.425 25124 4507 1 7 . 1 1 58 58 PRO CB C 58 31.922 31.922 29.944 1.978 25124 4508 1 7 . 1 1 59 59 GLY N N 59 112.312 112.312 110.240 2.072 25124 4509 1 7 . 1 1 59 59 GLY C C 59 173.793 173.793 173.172 0.621 25124 4510 1 7 . 1 1 59 59 GLY CA C 59 46.430 46.430 45.728 0.702 25124 4511 1 7 . 1 1 59 59 GLY H H 59 8.656 8.656 8.678 -0.022 25124 4512 1 7 . 1 1 60 60 MET N N 60 124.343 124.343 119.163 5.180 25124 4513 1 7 . 1 1 60 60 MET HA H 60 4.344 4.344 4.666 -0.322 25124 4514 1 7 . 1 1 60 60 MET C C 60 174.190 174.190 174.152 0.038 25124 4515 1 7 . 1 1 60 60 MET CA C 60 55.871 55.871 55.808 0.063 25124 4516 1 7 . 1 1 60 60 MET CB C 60 34.955 34.955 33.989 0.966 25124 4517 1 7 . 1 1 60 60 MET H H 60 7.778 7.778 8.338 -0.560 25124 4518 1 7 . 1 1 61 61 ASP N N 61 124.993 124.993 115.039 9.954 25124 4519 1 7 . 1 1 61 61 ASP HA H 61 4.870 4.870 4.724 0.146 25124 4520 1 7 . 1 1 61 61 ASP C C 61 176.966 176.966 174.996 1.970 25124 4521 1 7 . 1 1 61 61 ASP CA C 61 53.490 53.490 53.560 -0.070 25124 4522 1 7 . 1 1 61 61 ASP CB C 61 42.347 42.347 41.455 0.892 25124 4523 1 7 . 1 1 61 61 ASP H H 61 8.378 8.378 7.833 0.545 25124 4524 1 7 . 1 1 62 62 GLY N N 62 105.163 105.163 104.930 0.233 25124 4525 1 7 . 1 1 62 62 GLY C C 62 175.935 175.935 175.770 0.165 25124 4526 1 7 . 1 1 62 62 GLY CA C 62 46.755 46.755 45.028 1.727 25124 4527 1 7 . 1 1 62 62 GLY H H 62 10.153 10.153 8.266 1.887 25124 4528 1 7 . 1 1 63 63 LEU N N 63 120.509 120.509 122.244 -1.735 25124 4529 1 7 . 1 1 63 63 LEU HA H 63 4.293 4.293 4.149 0.144 25124 4530 1 7 . 1 1 63 63 LEU C C 63 179.293 179.293 178.531 0.762 25124 4531 1 7 . 1 1 63 63 LEU CA C 63 57.148 57.148 57.234 -0.086 25124 4532 1 7 . 1 1 63 63 LEU CB C 63 40.053 40.053 41.784 -1.731 25124 4533 1 7 . 1 1 63 63 LEU H H 63 8.119 8.119 8.102 0.017 25124 4534 1 7 . 1 1 64 64 ALA N N 64 126.234 126.234 122.164 4.070 25124 4535 1 7 . 1 1 64 64 ALA HA H 64 4.112 4.112 4.076 0.036 25124 4536 1 7 . 1 1 64 64 ALA C C 64 181.223 181.223 178.974 2.249 25124 4537 1 7 . 1 1 64 64 ALA CA C 64 54.802 54.802 54.847 -0.045 25124 4538 1 7 . 1 1 64 64 ALA CB C 64 18.133 18.133 18.119 0.014 25124 4539 1 7 . 1 1 64 64 ALA H H 64 8.303 8.303 7.645 0.658 25124 4540 1 7 . 1 1 65 65 LEU N N 65 120.067 120.067 118.133 1.934 25124 4541 1 7 . 1 1 65 65 LEU HA H 65 4.044 4.044 4.249 -0.205 25124 4542 1 7 . 1 1 65 65 LEU C C 65 177.548 177.548 178.311 -0.763 25124 4543 1 7 . 1 1 65 65 LEU CA C 65 58.197 58.197 57.254 0.943 25124 4544 1 7 . 1 1 65 65 LEU CB C 65 41.727 41.727 42.591 -0.864 25124 4545 1 7 . 1 1 65 65 LEU H H 65 8.398 8.398 7.800 0.598 25124 4546 1 7 . 1 1 66 66 LEU N N 66 120.890 120.890 120.031 0.859 25124 4547 1 7 . 1 1 66 66 LEU HA H 66 3.848 3.848 4.152 -0.304 25124 4548 1 7 . 1 1 66 66 LEU C C 66 177.230 177.230 178.222 -0.992 25124 4549 1 7 . 1 1 66 66 LEU CA C 66 58.736 58.736 57.239 1.497 25124 4550 1 7 . 1 1 66 66 LEU CB C 66 41.803 41.803 41.902 -0.099 25124 4551 1 7 . 1 1 66 66 LEU H H 66 8.203 8.203 7.974 0.229 25124 4552 1 7 . 1 1 67 67 LYS N N 67 116.919 116.919 119.112 -2.193 25124 4553 1 7 . 1 1 67 67 LYS HA H 67 4.004 4.004 4.036 -0.032 25124 4554 1 7 . 1 1 67 67 LYS C C 67 179.452 179.452 178.705 0.747 25124 4555 1 7 . 1 1 67 67 LYS CA C 67 59.733 59.733 59.117 0.616 25124 4556 1 7 . 1 1 67 67 LYS CB C 67 32.415 32.415 32.232 0.183 25124 4557 1 7 . 1 1 67 67 LYS H H 67 7.667 7.667 8.082 -0.415 25124 4558 1 7 . 1 1 68 68 GLN N N 68 116.851 116.851 118.332 -1.481 25124 4559 1 7 . 1 1 68 68 GLN HA H 68 4.046 4.046 4.094 -0.048 25124 4560 1 7 . 1 1 68 68 GLN C C 68 179.319 179.319 178.173 1.146 25124 4561 1 7 . 1 1 68 68 GLN CA C 68 58.820 58.820 58.715 0.105 25124 4562 1 7 . 1 1 68 68 GLN CB C 68 28.660 28.660 29.123 -0.464 25124 4563 1 7 . 1 1 68 68 GLN H H 68 7.677 7.677 7.471 0.206 25124 4564 1 7 . 1 1 69 69 ILE N N 69 120.670 120.670 115.785 4.885 25124 4565 1 7 . 1 1 69 69 ILE HA H 69 3.564 3.564 3.896 -0.332 25124 4566 1 7 . 1 1 69 69 ILE C C 69 177.786 177.786 177.786 0.000 25124 4567 1 7 . 1 1 69 69 ILE CA C 69 65.381 65.381 64.204 1.177 25124 4568 1 7 . 1 1 69 69 ILE CB C 69 37.186 37.186 37.768 -0.582 25124 4569 1 7 . 1 1 69 69 ILE H H 69 8.918 8.918 7.507 1.411 25124 4570 1 7 . 1 1 70 70 LYS N N 70 118.002 118.002 117.350 0.652 25124 4571 1 7 . 1 1 70 70 LYS HA H 70 3.936 3.936 4.217 -0.281 25124 4572 1 7 . 1 1 70 70 LYS C C 70 177.944 177.944 178.011 -0.067 25124 4573 1 7 . 1 1 70 70 LYS CA C 70 57.351 57.351 58.072 -0.721 25124 4574 1 7 . 1 1 70 70 LYS CB C 70 31.440 31.440 32.134 -0.694 25124 4575 1 7 . 1 1 70 70 LYS H H 70 8.592 8.592 7.603 0.989 25124 4576 1 7 . 1 1 71 71 GLN N N 71 114.891 114.891 117.397 -2.506 25124 4577 1 7 . 1 1 71 71 GLN HA H 71 4.063 4.063 4.189 -0.126 25124 4578 1 7 . 1 1 71 71 GLN C C 71 177.019 177.019 176.909 0.110 25124 4579 1 7 . 1 1 71 71 GLN CA C 71 58.007 58.007 57.361 0.646 25124 4580 1 7 . 1 1 71 71 GLN CB C 71 29.168 29.168 29.316 -0.148 25124 4581 1 7 . 1 1 71 71 GLN H H 71 7.266 7.266 7.546 -0.280 25124 4582 1 7 . 1 1 72 72 ARG N N 72 116.364 116.364 119.264 -2.900 25124 4583 1 7 . 1 1 72 72 ARG HA H 72 4.130 4.130 4.187 -0.057 25124 4584 1 7 . 1 1 72 72 ARG C C 72 175.803 175.803 175.908 -0.105 25124 4585 1 7 . 1 1 72 72 ARG CA C 72 57.174 57.174 57.417 -0.243 25124 4586 1 7 . 1 1 72 72 ARG CB C 72 32.638 32.638 31.981 0.657 25124 4587 1 7 . 1 1 72 72 ARG H H 72 7.254 7.254 8.176 -0.922 25124 4588 1 7 . 1 1 73 73 HIS N N 73 116.981 116.981 113.554 3.427 25124 4589 1 7 . 1 1 73 73 HIS HA H 73 4.994 4.994 4.970 0.024 25124 4590 1 7 . 1 1 73 73 HIS CA C 73 53.252 53.252 53.215 0.037 25124 4591 1 7 . 1 1 73 73 HIS CB C 73 31.026 31.026 30.396 0.629 25124 4592 1 7 . 1 1 73 73 HIS H H 73 8.828 8.828 7.457 1.371 25124 4593 1 7 . 1 1 74 74 PRO HA H 74 4.435 4.435 4.455 -0.020 25124 4594 1 7 . 1 1 74 74 PRO C C 74 178.156 178.156 176.948 1.208 25124 4595 1 7 . 1 1 74 74 PRO CA C 74 65.284 65.284 64.282 1.002 25124 4596 1 7 . 1 1 74 74 PRO CB C 74 32.130 32.130 31.799 0.331 25124 4597 1 7 . 1 1 75 75 MET N N 75 114.676 114.676 116.578 -1.902 25124 4598 1 7 . 1 1 75 75 MET HA H 75 4.587 4.587 4.332 0.255 25124 4599 1 7 . 1 1 75 75 MET C C 75 176.067 176.067 176.082 -0.015 25124 4600 1 7 . 1 1 75 75 MET CA C 75 54.304 54.304 55.992 -1.688 25124 4601 1 7 . 1 1 75 75 MET CB C 75 31.623 31.623 32.899 -1.276 25124 4602 1 7 . 1 1 75 75 MET H H 75 8.648 8.648 7.915 0.733 25124 4603 1 7 . 1 1 76 76 LEU N N 76 125.720 125.720 117.294 8.426 25124 4604 1 7 . 1 1 76 76 LEU HA H 76 4.293 4.293 4.598 -0.305 25124 4605 1 7 . 1 1 76 76 LEU CA C 76 53.472 53.472 51.944 1.528 25124 4606 1 7 . 1 1 76 76 LEU CB C 76 43.540 43.540 42.038 1.502 25124 4607 1 7 . 1 1 76 76 LEU H H 76 7.342 7.342 7.419 -0.077 25124 4608 1 7 . 1 1 77 77 PRO HA H 77 4.440 4.440 4.460 -0.020 25124 4609 1 7 . 1 1 77 77 PRO C C 77 175.062 175.062 175.506 -0.444 25124 4610 1 7 . 1 1 77 77 PRO CA C 77 62.841 62.841 62.623 0.218 25124 4611 1 7 . 1 1 77 77 PRO CB C 77 31.903 31.903 32.249 -0.346 25124 4612 1 7 . 1 1 78 78 VAL N N 78 123.116 123.116 119.694 3.422 25124 4613 1 7 . 1 1 78 78 VAL HA H 78 5.093 5.093 4.325 0.768 25124 4614 1 7 . 1 1 78 78 VAL C C 78 175.776 175.776 174.415 1.361 25124 4615 1 7 . 1 1 78 78 VAL CA C 78 60.083 60.083 61.494 -1.411 25124 4616 1 7 . 1 1 78 78 VAL CB C 78 34.245 34.245 35.727 -1.482 25124 4617 1 7 . 1 1 78 78 VAL H H 78 8.369 8.369 8.394 -0.025 25124 4618 1 7 . 1 1 79 79 ILE N N 79 129.166 129.166 122.775 6.391 25124 4619 1 7 . 1 1 79 79 ILE HA H 79 4.499 4.499 4.641 -0.142 25124 4620 1 7 . 1 1 79 79 ILE C C 79 174.295 174.295 175.172 -0.877 25124 4621 1 7 . 1 1 79 79 ILE CA C 79 60.030 60.030 59.922 0.108 25124 4622 1 7 . 1 1 79 79 ILE CB C 79 40.222 40.222 41.383 -1.161 25124 4623 1 7 . 1 1 79 79 ILE H H 79 9.436 9.436 7.909 1.527 25124 4624 1 7 . 1 1 80 80 ILE N N 80 128.234 128.234 125.884 2.350 25124 4625 1 7 . 1 1 80 80 ILE HA H 80 5.253 5.253 4.468 0.785 25124 4626 1 7 . 1 1 80 80 ILE C C 80 173.449 173.449 174.081 -0.632 25124 4627 1 7 . 1 1 80 80 ILE CA C 80 56.265 56.265 59.930 -3.665 25124 4628 1 7 . 1 1 80 80 ILE CB C 80 38.176 38.176 38.047 0.129 25124 4629 1 7 . 1 1 80 80 ILE H H 80 7.920 7.920 8.270 -0.350 25124 4630 1 7 . 1 1 81 81 MET N N 81 124.079 124.079 128.077 -3.998 25124 4631 1 7 . 1 1 81 81 MET HA H 81 5.489 5.489 4.696 0.793 25124 4632 1 7 . 1 1 81 81 MET C C 81 173.820 173.820 173.862 -0.042 25124 4633 1 7 . 1 1 81 81 MET CA C 81 52.889 52.889 54.701 -1.812 25124 4634 1 7 . 1 1 81 81 MET CB C 81 36.663 36.663 34.868 1.795 25124 4635 1 7 . 1 1 81 81 MET H H 81 9.028 9.028 8.190 0.838 25124 4636 1 7 . 1 1 82 82 THR N N 82 108.434 108.434 118.700 -10.266 25124 4637 1 7 . 1 1 82 82 THR HA H 82 5.134 5.134 4.546 0.588 25124 4638 1 7 . 1 1 82 82 THR C C 82 172.550 172.550 172.113 0.437 25124 4639 1 7 . 1 1 82 82 THR CA C 82 60.642 60.642 61.096 -0.454 25124 4640 1 7 . 1 1 82 82 THR CB C 82 68.843 68.843 70.635 -1.792 25124 4641 1 7 . 1 1 82 82 THR H H 82 7.098 7.098 8.138 -1.040 25124 4642 1 7 . 1 1 83 83 ALA N N 83 128.991 128.991 122.431 6.560 25124 4643 1 7 . 1 1 83 83 ALA HA H 83 4.678 4.678 4.819 -0.141 25124 4644 1 7 . 1 1 83 83 ALA C C 83 177.812 177.812 177.815 -0.003 25124 4645 1 7 . 1 1 83 83 ALA CA C 83 52.457 52.457 51.063 1.394 25124 4646 1 7 . 1 1 83 83 ALA CB C 83 19.396 19.396 20.511 -1.115 25124 4647 1 7 . 1 1 83 83 ALA H H 83 8.590 8.590 8.412 0.178 25124 4648 1 7 . 1 1 84 84 HIS N N 84 121.904 121.904 115.361 6.543 25124 4649 1 7 . 1 1 84 84 HIS HA H 84 4.576 4.576 4.394 0.182 25124 4650 1 7 . 1 1 84 84 HIS C C 84 175.512 175.512 177.259 -1.747 25124 4651 1 7 . 1 1 84 84 HIS CA C 84 56.674 56.674 57.573 -0.899 25124 4652 1 7 . 1 1 84 84 HIS CB C 84 29.589 29.589 29.763 -0.174 25124 4653 1 7 . 1 1 84 84 HIS H H 84 8.865 8.865 8.882 -0.017 25124 4654 1 7 . 1 1 85 85 SER N N 85 114.679 114.679 115.662 -0.983 25124 4655 1 7 . 1 1 85 85 SER HA H 85 4.303 4.303 3.883 0.420 25124 4656 1 7 . 1 1 85 85 SER C C 85 174.560 174.560 174.726 -0.166 25124 4657 1 7 . 1 1 85 85 SER CA C 85 58.970 58.970 60.269 -1.299 25124 4658 1 7 . 1 1 85 85 SER CB C 85 62.829 62.829 63.061 -0.232 25124 4659 1 7 . 1 1 85 85 SER H H 85 8.016 8.016 8.310 -0.294 25124 4660 1 7 . 1 1 86 86 ASP N N 86 122.325 122.325 119.075 3.250 25124 4661 1 7 . 1 1 86 86 ASP HA H 86 4.761 4.761 4.771 -0.010 25124 4662 1 7 . 1 1 86 86 ASP C C 86 176.094 176.094 175.474 0.620 25124 4663 1 7 . 1 1 86 86 ASP CA C 86 53.627 53.627 53.978 -0.351 25124 4664 1 7 . 1 1 86 86 ASP CB C 86 40.942 40.942 41.070 -0.128 25124 4665 1 7 . 1 1 86 86 ASP H H 86 8.054 8.054 7.599 0.455 25124 4666 1 7 . 1 1 87 87 LEU N N 87 122.041 122.041 123.228 -1.187 25124 4667 1 7 . 1 1 87 87 LEU HA H 87 4.069 4.069 4.130 -0.061 25124 4668 1 7 . 1 1 87 87 LEU C C 87 177.892 177.892 177.381 0.511 25124 4669 1 7 . 1 1 87 87 LEU CA C 87 57.182 57.182 56.532 0.650 25124 4670 1 7 . 1 1 87 87 LEU CB C 87 42.015 42.015 42.453 -0.438 25124 4671 1 7 . 1 1 87 87 LEU H H 87 8.005 8.005 7.591 0.414 25124 4672 1 7 . 1 1 88 88 ASP N N 88 118.050 118.050 119.826 -1.776 25124 4673 1 7 . 1 1 88 88 ASP HA H 88 4.370 4.370 4.270 0.100 25124 4674 1 7 . 1 1 88 88 ASP C C 88 178.103 178.103 177.059 1.044 25124 4675 1 7 . 1 1 88 88 ASP CA C 88 56.342 56.342 57.283 -0.941 25124 4676 1 7 . 1 1 88 88 ASP CB C 88 40.280 40.280 40.514 -0.234 25124 4677 1 7 . 1 1 88 88 ASP H H 88 8.243 8.243 8.596 -0.353 25124 4678 1 7 . 1 1 89 89 ALA N N 89 122.780 122.780 120.828 1.952 25124 4679 1 7 . 1 1 89 89 ALA HA H 89 4.038 4.038 4.137 -0.099 25124 4680 1 7 . 1 1 89 89 ALA C C 89 178.526 178.526 179.081 -0.555 25124 4681 1 7 . 1 1 89 89 ALA CA C 89 54.655 54.655 54.019 0.636 25124 4682 1 7 . 1 1 89 89 ALA CB C 89 18.809 18.809 18.359 0.450 25124 4683 1 7 . 1 1 89 89 ALA H H 89 7.890 7.890 7.389 0.501 25124 4684 1 7 . 1 1 90 90 ALA N N 90 120.040 120.040 121.194 -1.154 25124 4685 1 7 . 1 1 90 90 ALA HA H 90 3.254 3.254 3.706 -0.452 25124 4686 1 7 . 1 1 90 90 ALA C C 90 178.976 178.976 179.407 -0.431 25124 4687 1 7 . 1 1 90 90 ALA CA C 90 55.050 55.050 54.807 0.243 25124 4688 1 7 . 1 1 90 90 ALA CB C 90 17.725 17.725 18.031 -0.306 25124 4689 1 7 . 1 1 90 90 ALA H H 90 7.513 7.513 7.835 -0.322 25124 4690 1 7 . 1 1 91 91 VAL N N 91 116.635 116.635 117.249 -0.614 25124 4691 1 7 . 1 1 91 91 VAL HA H 91 3.637 3.637 3.927 -0.290 25124 4692 1 7 . 1 1 91 91 VAL C C 91 178.632 178.632 177.981 0.651 25124 4693 1 7 . 1 1 91 91 VAL CA C 91 65.971 65.971 65.281 0.690 25124 4694 1 7 . 1 1 91 91 VAL CB C 91 31.623 31.623 31.419 0.204 25124 4695 1 7 . 1 1 91 91 VAL H H 91 7.877 7.877 7.327 0.550 25124 4696 1 7 . 1 1 92 92 SER N N 92 115.439 115.439 115.466 -0.027 25124 4697 1 7 . 1 1 92 92 SER HA H 92 4.215 4.215 4.084 0.131 25124 4698 1 7 . 1 1 92 92 SER C C 92 175.961 175.961 176.394 -0.433 25124 4699 1 7 . 1 1 92 92 SER CA C 92 61.401 61.401 61.593 -0.192 25124 4700 1 7 . 1 1 92 92 SER CB C 92 62.966 62.966 62.911 0.055 25124 4701 1 7 . 1 1 92 92 SER H H 92 7.912 7.912 7.629 0.283 25124 4702 1 7 . 1 1 93 93 ALA N N 93 122.647 122.647 123.269 -0.622 25124 4703 1 7 . 1 1 93 93 ALA HA H 93 3.786 3.786 4.057 -0.271 25124 4704 1 7 . 1 1 93 93 ALA C C 93 179.293 179.293 179.722 -0.429 25124 4705 1 7 . 1 1 93 93 ALA CA C 93 55.172 55.172 54.884 0.288 25124 4706 1 7 . 1 1 93 93 ALA CB C 93 17.161 17.161 17.983 -0.822 25124 4707 1 7 . 1 1 93 93 ALA H H 93 8.199 8.199 8.097 0.102 25124 4708 1 7 . 1 1 94 94 TYR N N 94 117.796 117.796 117.274 0.522 25124 4709 1 7 . 1 1 94 94 TYR HA H 94 4.283 4.283 4.271 0.012 25124 4710 1 7 . 1 1 94 94 TYR C C 94 179.954 179.954 178.051 1.903 25124 4711 1 7 . 1 1 94 94 TYR CA C 94 61.216 61.216 60.058 1.158 25124 4712 1 7 . 1 1 94 94 TYR CB C 94 37.716 37.716 37.345 0.371 25124 4713 1 7 . 1 1 94 94 TYR H H 94 8.065 8.065 7.505 0.560 25124 4714 1 7 . 1 1 95 95 GLN N N 95 120.057 120.057 116.944 3.113 25124 4715 1 7 . 1 1 95 95 GLN HA H 95 4.005 4.005 4.134 -0.129 25124 4716 1 7 . 1 1 95 95 GLN C C 95 177.680 177.680 177.798 -0.118 25124 4717 1 7 . 1 1 95 95 GLN CA C 95 58.471 58.471 58.171 0.300 25124 4718 1 7 . 1 1 95 95 GLN CB C 95 28.334 28.334 27.831 0.503 25124 4719 1 7 . 1 1 95 95 GLN H H 95 8.513 8.513 7.584 0.929 25124 4720 1 7 . 1 1 96 96 GLN N N 96 115.323 115.323 117.177 -1.854 25124 4721 1 7 . 1 1 96 96 GLN HA H 96 4.321 4.321 4.262 0.059 25124 4722 1 7 . 1 1 96 96 GLN C C 96 175.538 175.538 176.859 -1.321 25124 4723 1 7 . 1 1 96 96 GLN CA C 96 55.379 55.379 56.514 -1.135 25124 4724 1 7 . 1 1 96 96 GLN CB C 96 28.915 28.915 29.709 -0.794 25124 4725 1 7 . 1 1 96 96 GLN H H 96 7.774 7.774 7.676 0.098 25124 4726 1 7 . 1 1 97 97 GLY N N 97 104.173 104.173 107.734 -3.561 25124 4727 1 7 . 1 1 97 97 GLY C C 97 175.168 175.168 173.645 1.523 25124 4728 1 7 . 1 1 97 97 GLY CA C 97 45.491 45.491 44.546 0.945 25124 4729 1 7 . 1 1 97 97 GLY H H 97 7.576 7.576 7.564 0.012 25124 4730 1 7 . 1 1 98 98 ALA N N 98 123.484 123.484 121.544 1.940 25124 4731 1 7 . 1 1 98 98 ALA HA H 98 4.266 4.266 4.412 -0.146 25124 4732 1 7 . 1 1 98 98 ALA C C 98 176.067 176.067 176.656 -0.589 25124 4733 1 7 . 1 1 98 98 ALA CA C 98 53.008 53.008 52.297 0.711 25124 4734 1 7 . 1 1 98 98 ALA CB C 98 18.556 18.556 19.875 -1.319 25124 4735 1 7 . 1 1 98 98 ALA H H 98 8.358 8.358 7.650 0.708 25124 4736 1 7 . 1 1 99 99 PHE N N 99 123.551 123.551 120.519 3.032 25124 4737 1 7 . 1 1 99 99 PHE HA H 99 4.259 4.259 4.737 -0.478 25124 4738 1 7 . 1 1 99 99 PHE C C 99 175.432 175.432 175.727 -0.295 25124 4739 1 7 . 1 1 99 99 PHE CA C 99 60.274 60.274 60.049 0.225 25124 4740 1 7 . 1 1 99 99 PHE CB C 99 40.375 40.375 41.305 -0.930 25124 4741 1 7 . 1 1 99 99 PHE H H 99 9.477 9.477 8.259 1.218 25124 4742 1 7 . 1 1 100 100 ASP N N 100 110.678 110.678 114.325 -3.647 25124 4743 1 7 . 1 1 100 100 ASP HA H 100 4.547 4.547 4.989 -0.442 25124 4744 1 7 . 1 1 100 100 ASP C C 100 173.053 173.053 173.820 -0.767 25124 4745 1 7 . 1 1 100 100 ASP CA C 100 52.527 52.527 54.026 -1.499 25124 4746 1 7 . 1 1 100 100 ASP CB C 100 44.789 44.789 43.466 1.323 25124 4747 1 7 . 1 1 100 100 ASP H H 100 7.683 7.683 8.096 -0.413 25124 4748 1 7 . 1 1 101 101 TYR N N 101 122.174 122.174 121.594 0.580 25124 4749 1 7 . 1 1 101 101 TYR HA H 101 5.425 5.425 5.179 0.246 25124 4750 1 7 . 1 1 101 101 TYR C C 101 172.550 172.550 174.371 -1.821 25124 4751 1 7 . 1 1 101 101 TYR CA C 101 55.865 55.865 56.347 -0.482 25124 4752 1 7 . 1 1 101 101 TYR CB C 101 41.760 41.760 39.456 2.304 25124 4753 1 7 . 1 1 101 101 TYR H H 101 9.874 9.874 8.677 1.197 25124 4754 1 7 . 1 1 102 102 LEU N N 102 129.337 129.337 129.972 -0.635 25124 4755 1 7 . 1 1 102 102 LEU HA H 102 4.677 4.677 4.631 0.046 25124 4756 1 7 . 1 1 102 102 LEU CA C 102 50.418 50.418 50.663 -0.245 25124 4757 1 7 . 1 1 102 102 LEU CB C 102 45.066 45.066 43.570 1.496 25124 4758 1 7 . 1 1 102 102 LEU H H 102 8.974 8.974 7.942 1.032 25124 4759 1 7 . 1 1 103 103 PRO HA H 103 4.552 4.552 4.418 0.134 25124 4760 1 7 . 1 1 103 103 PRO C C 103 176.067 176.067 175.803 0.264 25124 4761 1 7 . 1 1 103 103 PRO CA C 103 61.951 61.951 62.218 -0.267 25124 4762 1 7 . 1 1 103 103 PRO CB C 103 31.829 31.829 32.304 -0.475 25124 4763 1 7 . 1 1 104 104 LYS N N 104 118.403 118.403 119.783 -1.380 25124 4764 1 7 . 1 1 104 104 LYS HA H 104 4.459 4.459 5.035 -0.576 25124 4765 1 7 . 1 1 104 104 LYS CA C 104 53.204 53.204 53.363 -0.159 25124 4766 1 7 . 1 1 104 104 LYS CB C 104 34.500 34.500 32.055 2.445 25124 4767 1 7 . 1 1 104 104 LYS H H 104 8.013 8.013 8.183 -0.170 25124 4768 1 7 . 1 1 105 105 PRO HA H 105 4.258 4.258 4.536 -0.278 25124 4769 1 7 . 1 1 105 105 PRO C C 105 174.930 174.930 175.998 -1.068 25124 4770 1 7 . 1 1 105 105 PRO CA C 105 62.213 62.213 63.123 -0.910 25124 4771 1 7 . 1 1 105 105 PRO CB C 105 34.151 34.151 31.948 2.203 25124 4772 1 7 . 1 1 106 106 PHE N N 106 116.796 116.796 119.811 -3.015 25124 4773 1 7 . 1 1 106 106 PHE HA H 106 5.169 5.169 4.759 0.410 25124 4774 1 7 . 1 1 106 106 PHE C C 106 175.194 175.194 174.359 0.835 25124 4775 1 7 . 1 1 106 106 PHE CA C 106 53.244 53.244 55.476 -2.232 25124 4776 1 7 . 1 1 106 106 PHE CB C 106 40.477 40.477 41.024 -0.547 25124 4777 1 7 . 1 1 106 106 PHE H H 106 7.399 7.399 7.631 -0.232 25124 4778 1 7 . 1 1 107 107 ASP N N 107 122.212 122.212 122.785 -0.573 25124 4779 1 7 . 1 1 107 107 ASP HA H 107 4.823 4.823 4.834 -0.011 25124 4780 1 7 . 1 1 107 107 ASP C C 107 177.812 177.812 177.463 0.349 25124 4781 1 7 . 1 1 107 107 ASP CA C 107 53.392 53.392 53.549 -0.157 25124 4782 1 7 . 1 1 107 107 ASP CB C 107 42.455 42.455 41.269 1.186 25124 4783 1 7 . 1 1 107 107 ASP H H 107 9.047 9.047 8.588 0.459 25124 4784 1 7 . 1 1 108 108 ILE N N 108 127.963 127.963 122.102 5.861 25124 4785 1 7 . 1 1 108 108 ILE HA H 108 3.949 3.949 3.944 0.005 25124 4786 1 7 . 1 1 108 108 ILE C C 108 176.226 176.226 177.019 -0.793 25124 4787 1 7 . 1 1 108 108 ILE CA C 108 63.105 63.105 63.984 -0.879 25124 4788 1 7 . 1 1 108 108 ILE CB C 108 37.665 37.665 37.117 0.548 25124 4789 1 7 . 1 1 108 108 ILE H H 108 8.898 8.898 8.491 0.407 25124 4790 1 7 . 1 1 109 109 ASP N N 109 119.804 119.804 120.544 -0.740 25124 4791 1 7 . 1 1 109 109 ASP HA H 109 4.393 4.393 4.335 0.058 25124 4792 1 7 . 1 1 109 109 ASP C C 109 179.848 179.848 179.026 0.822 25124 4793 1 7 . 1 1 109 109 ASP CA C 109 57.483 57.483 58.196 -0.713 25124 4794 1 7 . 1 1 109 109 ASP CB C 109 39.986 39.986 40.334 -0.348 25124 4795 1 7 . 1 1 109 109 ASP H H 109 8.098 8.098 8.556 -0.458 25124 4796 1 7 . 1 1 110 110 GLU N N 110 121.667 121.667 118.647 3.020 25124 4797 1 7 . 1 1 110 110 GLU HA H 110 4.085 4.085 4.310 -0.225 25124 4798 1 7 . 1 1 110 110 GLU C C 110 178.976 178.976 178.430 0.546 25124 4799 1 7 . 1 1 110 110 GLU CA C 110 58.790 58.790 58.014 0.776 25124 4800 1 7 . 1 1 110 110 GLU CB C 110 29.330 29.330 30.172 -0.842 25124 4801 1 7 . 1 1 110 110 GLU H H 110 8.059 8.059 8.069 -0.010 25124 4802 1 7 . 1 1 111 111 ALA N N 111 122.208 122.208 123.524 -1.316 25124 4803 1 7 . 1 1 111 111 ALA HA H 111 3.758 3.758 4.161 -0.403 25124 4804 1 7 . 1 1 111 111 ALA C C 111 178.605 178.605 179.712 -1.107 25124 4805 1 7 . 1 1 111 111 ALA CA C 111 55.320 55.320 55.240 0.080 25124 4806 1 7 . 1 1 111 111 ALA CB C 111 18.174 18.174 18.546 -0.372 25124 4807 1 7 . 1 1 111 111 ALA H H 111 7.903 7.903 7.613 0.290 25124 4808 1 7 . 1 1 112 112 VAL N N 112 116.429 116.429 118.608 -2.179 25124 4809 1 7 . 1 1 112 112 VAL HA H 112 3.194 3.194 3.645 -0.451 25124 4810 1 7 . 1 1 112 112 VAL C C 112 177.230 177.230 177.890 -0.660 25124 4811 1 7 . 1 1 112 112 VAL CA C 112 67.154 67.154 66.222 0.932 25124 4812 1 7 . 1 1 112 112 VAL CB C 112 31.538 31.538 30.970 0.568 25124 4813 1 7 . 1 1 112 112 VAL H H 112 8.032 8.032 8.616 -0.584 25124 4814 1 7 . 1 1 113 113 ALA N N 113 120.198 120.198 119.832 0.366 25124 4815 1 7 . 1 1 113 113 ALA HA H 113 4.159 4.159 4.220 -0.061 25124 4816 1 7 . 1 1 113 113 ALA C C 113 180.589 180.589 179.051 1.538 25124 4817 1 7 . 1 1 113 113 ALA CA C 113 54.902 54.902 54.231 0.671 25124 4818 1 7 . 1 1 113 113 ALA CB C 113 17.980 17.980 18.757 -0.777 25124 4819 1 7 . 1 1 113 113 ALA H H 113 7.723 7.723 7.865 -0.142 25124 4820 1 7 . 1 1 114 114 LEU N N 114 120.742 120.742 120.078 0.664 25124 4821 1 7 . 1 1 114 114 LEU HA H 114 4.102 4.102 4.303 -0.201 25124 4822 1 7 . 1 1 114 114 LEU C C 114 178.605 178.605 178.252 0.353 25124 4823 1 7 . 1 1 114 114 LEU CA C 114 58.181 58.181 57.243 0.938 25124 4824 1 7 . 1 1 114 114 LEU CB C 114 42.032 42.032 42.176 -0.144 25124 4825 1 7 . 1 1 114 114 LEU H H 114 7.928 7.928 7.442 0.486 25124 4826 1 7 . 1 1 115 115 VAL N N 115 119.478 119.478 118.533 0.945 25124 4827 1 7 . 1 1 115 115 VAL HA H 115 3.250 3.250 3.588 -0.338 25124 4828 1 7 . 1 1 115 115 VAL C C 115 177.548 177.548 178.277 -0.729 25124 4829 1 7 . 1 1 115 115 VAL CA C 115 67.168 67.168 66.996 0.172 25124 4830 1 7 . 1 1 115 115 VAL CB C 115 30.760 30.760 31.326 -0.566 25124 4831 1 7 . 1 1 115 115 VAL H H 115 7.846 7.846 8.353 -0.507 25124 4832 1 7 . 1 1 116 116 GLU N N 116 117.570 117.570 117.309 0.261 25124 4833 1 7 . 1 1 116 116 GLU HA H 116 3.809 3.809 4.171 -0.362 25124 4834 1 7 . 1 1 116 116 GLU C C 116 179.557 179.557 178.755 0.802 25124 4835 1 7 . 1 1 116 116 GLU CA C 116 59.974 59.974 58.204 1.770 25124 4836 1 7 . 1 1 116 116 GLU CB C 116 29.084 29.084 29.198 -0.114 25124 4837 1 7 . 1 1 116 116 GLU H H 116 8.462 8.462 8.011 0.451 25124 4838 1 7 . 1 1 117 117 ARG N N 117 120.263 120.263 120.041 0.222 25124 4839 1 7 . 1 1 117 117 ARG HA H 117 4.109 4.109 4.116 -0.007 25124 4840 1 7 . 1 1 117 117 ARG C C 117 178.500 178.500 178.512 -0.012 25124 4841 1 7 . 1 1 117 117 ARG CA C 117 59.411 59.411 59.616 -0.205 25124 4842 1 7 . 1 1 117 117 ARG CB C 117 30.414 30.414 30.223 0.191 25124 4843 1 7 . 1 1 117 117 ARG H H 117 8.090 8.090 7.667 0.423 25124 4844 1 7 . 1 1 118 118 ALA N N 118 122.157 122.157 119.069 3.088 25124 4845 1 7 . 1 1 118 118 ALA HA H 118 3.467 3.467 4.153 -0.686 25124 4846 1 7 . 1 1 118 118 ALA C C 118 178.632 178.632 178.956 -0.324 25124 4847 1 7 . 1 1 118 118 ALA CA C 118 54.739 54.739 53.831 0.908 25124 4848 1 7 . 1 1 118 118 ALA CB C 118 18.280 18.280 17.910 0.370 25124 4849 1 7 . 1 1 118 118 ALA H H 118 8.005 8.005 7.321 0.684 25124 4850 1 7 . 1 1 119 119 ILE N N 119 115.429 115.429 119.099 -3.670 25124 4851 1 7 . 1 1 119 119 ILE HA H 119 3.706 3.706 3.783 -0.077 25124 4852 1 7 . 1 1 119 119 ILE C C 119 177.442 177.442 178.455 -1.013 25124 4853 1 7 . 1 1 119 119 ILE CA C 119 63.910 63.910 64.886 -0.976 25124 4854 1 7 . 1 1 119 119 ILE CB C 119 37.939 37.939 37.818 0.121 25124 4855 1 7 . 1 1 119 119 ILE H H 119 7.788 7.788 7.328 0.460 25124 4856 1 7 . 1 1 120 120 SER N N 120 114.902 114.902 116.121 -1.219 25124 4857 1 7 . 1 1 120 120 SER HA H 120 4.285 4.285 4.303 -0.018 25124 4858 1 7 . 1 1 120 120 SER C C 120 175.142 175.142 176.091 -0.949 25124 4859 1 7 . 1 1 120 120 SER CA C 120 59.871 59.871 61.370 -1.499 25124 4860 1 7 . 1 1 120 120 SER CB C 120 63.522 63.522 62.985 0.537 25124 4861 1 7 . 1 1 120 120 SER H H 120 7.881 7.881 8.553 -0.672 25124 4862 1 7 . 1 1 121 121 HIS N N 121 119.927 119.927 118.203 1.724 25124 4863 1 7 . 1 1 121 121 HIS HA H 121 4.439 4.439 4.178 0.261 25124 4864 1 7 . 1 1 121 121 HIS C C 121 174.957 174.957 175.955 -0.998 25124 4865 1 7 . 1 1 121 121 HIS CA C 121 57.362 57.362 58.798 -1.436 25124 4866 1 7 . 1 1 121 121 HIS CB C 121 29.496 29.496 29.863 -0.367 25124 4867 1 7 . 1 1 121 121 HIS H H 121 7.960 7.960 8.056 -0.096 25124 4868 1 7 . 1 1 122 122 TYR N N 122 118.745 118.745 116.244 2.501 25124 4869 1 7 . 1 1 122 122 TYR HA H 122 4.455 4.455 4.632 -0.177 25124 4870 1 7 . 1 1 122 122 TYR C C 122 175.353 175.353 176.363 -1.010 25124 4871 1 7 . 1 1 122 122 TYR CA C 122 58.528 58.528 59.006 -0.478 25124 4872 1 7 . 1 1 122 122 TYR CB C 122 38.726 38.726 39.350 -0.624 25124 4873 1 7 . 1 1 122 122 TYR H H 122 7.776 7.776 8.182 -0.406 25124 4874 1 7 . 1 1 123 123 GLN N N 123 121.424 121.424 118.561 2.863 25124 4875 1 7 . 1 1 123 123 GLN HA H 123 4.294 4.294 4.653 -0.359 25124 4876 1 7 . 1 1 123 123 GLN C C 123 174.560 174.560 174.947 -0.387 25124 4877 1 7 . 1 1 123 123 GLN CA C 123 55.658 55.658 56.210 -0.552 25124 4878 1 7 . 1 1 123 123 GLN CB C 123 29.877 29.877 30.177 -0.300 25124 4879 1 7 . 1 1 123 123 GLN H H 123 7.904 7.904 8.124 -0.220 25124 4880 1 8 . 1 1 2 2 GLN HA H 2 4.453 4.453 3.967 0.486 25124 4881 1 8 . 1 1 2 2 GLN C C 2 174.930 174.930 175.362 -0.432 25124 4882 1 8 . 1 1 2 2 GLN CA C 2 55.627 55.627 56.757 -1.130 25124 4883 1 8 . 1 1 2 2 GLN CB C 2 29.312 29.312 27.470 1.843 25124 4884 1 8 . 1 1 3 3 ARG N N 3 121.349 121.349 119.524 1.825 25124 4885 1 8 . 1 1 3 3 ARG HA H 3 4.390 4.390 3.936 0.454 25124 4886 1 8 . 1 1 3 3 ARG C C 3 175.723 175.723 174.324 1.399 25124 4887 1 8 . 1 1 3 3 ARG CA C 3 56.041 56.041 57.233 -1.192 25124 4888 1 8 . 1 1 3 3 ARG CB C 3 31.395 31.395 30.567 0.828 25124 4889 1 8 . 1 1 3 3 ARG H H 3 8.451 8.451 8.274 0.177 25124 4890 1 8 . 1 1 4 4 GLY N N 4 107.889 107.889 106.512 1.377 25124 4891 1 8 . 1 1 4 4 GLY C C 4 171.122 171.122 172.667 -1.545 25124 4892 1 8 . 1 1 4 4 GLY CA C 4 45.333 45.333 44.555 0.778 25124 4893 1 8 . 1 1 4 4 GLY H H 4 8.037 8.037 8.289 -0.252 25124 4894 1 8 . 1 1 5 5 ILE N N 5 122.674 122.674 121.115 1.559 25124 4895 1 8 . 1 1 5 5 ILE HA H 5 4.731 4.731 3.973 0.758 25124 4896 1 8 . 1 1 5 5 ILE C C 5 175.459 175.459 175.379 0.080 25124 4897 1 8 . 1 1 5 5 ILE CA C 5 60.614 60.614 62.805 -2.191 25124 4898 1 8 . 1 1 5 5 ILE CB C 5 39.535 39.535 38.550 0.985 25124 4899 1 8 . 1 1 5 5 ILE H H 5 9.605 9.605 8.154 1.451 25124 4900 1 8 . 1 1 6 6 VAL N N 6 127.532 127.532 126.352 1.180 25124 4901 1 8 . 1 1 6 6 VAL HA H 6 4.892 4.892 4.337 0.555 25124 4902 1 8 . 1 1 6 6 VAL C C 6 174.110 174.110 174.477 -0.367 25124 4903 1 8 . 1 1 6 6 VAL CA C 6 59.255 59.255 61.395 -2.140 25124 4904 1 8 . 1 1 6 6 VAL CB C 6 34.530 34.530 33.826 0.704 25124 4905 1 8 . 1 1 6 6 VAL H H 6 9.135 9.135 8.127 1.008 25124 4906 1 8 . 1 1 7 7 TRP N N 7 127.409 127.409 127.903 -0.494 25124 4907 1 8 . 1 1 7 7 TRP HA H 7 6.447 6.447 4.985 1.462 25124 4908 1 8 . 1 1 7 7 TRP C C 7 175.089 175.089 175.105 -0.016 25124 4909 1 8 . 1 1 7 7 TRP CA C 7 52.797 52.797 54.142 -1.345 25124 4910 1 8 . 1 1 7 7 TRP CB C 7 33.255 33.255 30.988 2.267 25124 4911 1 8 . 1 1 7 7 TRP H H 7 8.544 8.544 8.097 0.447 25124 4912 1 8 . 1 1 8 8 VAL N N 8 122.270 122.270 123.920 -1.650 25124 4913 1 8 . 1 1 8 8 VAL HA H 8 5.135 5.135 4.467 0.668 25124 4914 1 8 . 1 1 8 8 VAL C C 8 173.820 173.820 174.025 -0.205 25124 4915 1 8 . 1 1 8 8 VAL CA C 8 60.457 60.457 60.990 -0.533 25124 4916 1 8 . 1 1 8 8 VAL CB C 8 35.893 35.893 33.967 1.926 25124 4917 1 8 . 1 1 8 8 VAL H H 8 8.643 8.643 8.524 0.119 25124 4918 1 8 . 1 1 9 9 VAL N N 9 126.806 126.806 128.700 -1.894 25124 4919 1 8 . 1 1 9 9 VAL HA H 9 5.192 5.192 4.286 0.906 25124 4920 1 8 . 1 1 9 9 VAL C C 9 172.550 172.550 173.884 -1.334 25124 4921 1 8 . 1 1 9 9 VAL CA C 9 58.384 58.384 61.064 -2.680 25124 4922 1 8 . 1 1 9 9 VAL CB C 9 34.135 34.135 31.858 2.277 25124 4923 1 8 . 1 1 9 9 VAL H H 9 9.113 9.113 8.665 0.448 25124 4924 1 8 . 1 1 10 10 ASP N N 10 125.011 125.011 124.653 0.358 25124 4925 1 8 . 1 1 10 10 ASP HA H 10 4.554 4.554 4.822 -0.268 25124 4926 1 8 . 1 1 10 10 ASP C C 10 174.877 174.877 174.230 0.647 25124 4927 1 8 . 1 1 10 10 ASP CA C 10 55.066 55.066 52.926 2.140 25124 4928 1 8 . 1 1 10 10 ASP CB C 10 44.131 44.131 43.329 0.802 25124 4929 1 8 . 1 1 10 10 ASP H H 10 7.881 7.881 7.996 -0.115 25124 4930 1 8 . 1 1 11 11 ASP N N 11 124.048 124.048 120.299 3.749 25124 4931 1 8 . 1 1 11 11 ASP HA H 11 4.613 4.613 4.785 -0.172 25124 4932 1 8 . 1 1 11 11 ASP C C 11 175.089 175.089 174.709 0.380 25124 4933 1 8 . 1 1 11 11 ASP CA C 11 55.346 55.346 54.222 1.124 25124 4934 1 8 . 1 1 11 11 ASP CB C 11 39.583 39.583 40.100 -0.517 25124 4935 1 8 . 1 1 11 11 ASP H H 11 9.166 9.166 8.552 0.614 25124 4936 1 8 . 1 1 12 12 ASP N N 12 125.165 125.165 119.894 5.271 25124 4937 1 8 . 1 1 12 12 ASP HA H 12 4.757 4.757 4.764 -0.007 25124 4938 1 8 . 1 1 12 12 ASP C C 12 176.993 176.993 176.501 0.492 25124 4939 1 8 . 1 1 12 12 ASP CA C 12 53.112 53.112 53.847 -0.735 25124 4940 1 8 . 1 1 12 12 ASP CB C 12 41.072 41.072 43.971 -2.899 25124 4941 1 8 . 1 1 12 12 ASP H H 12 10.290 10.290 7.597 2.693 25124 4942 1 8 . 1 1 13 13 SER N N 13 123.818 123.818 120.761 3.057 25124 4943 1 8 . 1 1 13 13 SER HA H 13 3.719 3.719 4.322 -0.603 25124 4944 1 8 . 1 1 13 13 SER C C 13 176.146 176.146 175.978 0.168 25124 4945 1 8 . 1 1 13 13 SER CA C 13 61.341 61.341 60.650 0.691 25124 4946 1 8 . 1 1 13 13 SER CB C 13 62.638 62.638 63.485 -0.847 25124 4947 1 8 . 1 1 13 13 SER H H 13 8.993 8.993 8.673 0.320 25124 4948 1 8 . 1 1 14 14 SER N N 14 118.714 118.714 118.522 0.192 25124 4949 1 8 . 1 1 14 14 SER HA H 14 4.322 4.322 4.462 -0.140 25124 4950 1 8 . 1 1 14 14 SER C C 14 176.411 176.411 176.174 0.237 25124 4951 1 8 . 1 1 14 14 SER CA C 14 61.717 61.717 60.726 0.991 25124 4952 1 8 . 1 1 14 14 SER CB C 14 62.554 62.554 63.145 -0.591 25124 4953 1 8 . 1 1 14 14 SER H H 14 8.499 8.499 7.709 0.790 25124 4954 1 8 . 1 1 15 15 ILE N N 15 122.822 122.822 120.186 2.636 25124 4955 1 8 . 1 1 15 15 ILE HA H 15 3.972 3.972 3.767 0.205 25124 4956 1 8 . 1 1 15 15 ILE C C 15 177.786 177.786 178.163 -0.377 25124 4957 1 8 . 1 1 15 15 ILE CA C 15 60.784 60.784 63.607 -2.823 25124 4958 1 8 . 1 1 15 15 ILE CB C 15 36.016 36.016 36.597 -0.581 25124 4959 1 8 . 1 1 15 15 ILE H H 15 7.011 7.011 7.716 -0.705 25124 4960 1 8 . 1 1 16 16 ARG N N 16 116.580 116.580 118.104 -1.524 25124 4961 1 8 . 1 1 16 16 ARG HA H 16 3.711 3.711 4.165 -0.454 25124 4962 1 8 . 1 1 16 16 ARG C C 16 177.336 177.336 178.647 -1.311 25124 4963 1 8 . 1 1 16 16 ARG CA C 16 61.632 61.632 59.204 2.428 25124 4964 1 8 . 1 1 16 16 ARG CB C 16 30.520 30.520 30.166 0.354 25124 4965 1 8 . 1 1 16 16 ARG H H 16 7.370 7.370 7.696 -0.326 25124 4966 1 8 . 1 1 17 17 TRP N N 17 116.893 116.893 122.486 -5.593 25124 4967 1 8 . 1 1 17 17 TRP HA H 17 4.481 4.481 4.437 0.044 25124 4968 1 8 . 1 1 17 17 TRP C C 17 178.394 178.394 177.610 0.784 25124 4969 1 8 . 1 1 17 17 TRP CA C 17 60.482 60.482 61.460 -0.978 25124 4970 1 8 . 1 1 17 17 TRP CB C 17 29.372 29.372 29.330 0.042 25124 4971 1 8 . 1 1 17 17 TRP H H 17 8.020 8.020 7.469 0.551 25124 4972 1 8 . 1 1 18 18 VAL N N 18 116.799 116.799 117.707 -0.908 25124 4973 1 8 . 1 1 18 18 VAL HA H 18 3.662 3.662 2.667 0.995 25124 4974 1 8 . 1 1 18 18 VAL C C 18 179.161 179.161 177.780 1.381 25124 4975 1 8 . 1 1 18 18 VAL CA C 18 65.858 65.858 66.095 -0.237 25124 4976 1 8 . 1 1 18 18 VAL CB C 18 31.792 31.792 30.905 0.887 25124 4977 1 8 . 1 1 18 18 VAL H H 18 8.085 8.085 8.496 -0.411 25124 4978 1 8 . 1 1 19 19 LEU N N 19 119.595 119.595 119.906 -0.311 25124 4979 1 8 . 1 1 19 19 LEU HA H 19 4.083 4.083 3.828 0.255 25124 4980 1 8 . 1 1 19 19 LEU C C 19 177.759 177.759 178.673 -0.914 25124 4981 1 8 . 1 1 19 19 LEU CA C 19 57.971 57.971 57.926 0.045 25124 4982 1 8 . 1 1 19 19 LEU CB C 19 41.863 41.863 41.548 0.315 25124 4983 1 8 . 1 1 19 19 LEU H H 19 8.035 8.035 7.335 0.700 25124 4984 1 8 . 1 1 20 20 GLU N N 20 120.318 120.318 119.521 0.797 25124 4985 1 8 . 1 1 20 20 GLU HA H 20 4.007 4.007 3.866 0.141 25124 4986 1 8 . 1 1 20 20 GLU C C 20 178.500 178.500 179.296 -0.796 25124 4987 1 8 . 1 1 20 20 GLU CA C 20 60.567 60.567 59.383 1.184 25124 4988 1 8 . 1 1 20 20 GLU CB C 20 29.073 29.073 29.419 -0.346 25124 4989 1 8 . 1 1 20 20 GLU H H 20 8.417 8.417 7.613 0.804 25124 4990 1 8 . 1 1 21 21 ARG N N 21 115.981 115.981 117.040 -1.059 25124 4991 1 8 . 1 1 21 21 ARG HA H 21 3.898 3.898 3.915 -0.017 25124 4992 1 8 . 1 1 21 21 ARG C C 21 179.769 179.769 178.061 1.708 25124 4993 1 8 . 1 1 21 21 ARG CA C 21 58.491 58.491 58.554 -0.063 25124 4994 1 8 . 1 1 21 21 ARG CB C 21 29.966 29.966 29.623 0.343 25124 4995 1 8 . 1 1 21 21 ARG H H 21 7.579 7.579 7.994 -0.415 25124 4996 1 8 . 1 1 22 22 ALA N N 22 122.267 122.267 121.841 0.426 25124 4997 1 8 . 1 1 22 22 ALA HA H 22 4.110 4.110 4.218 -0.108 25124 4998 1 8 . 1 1 22 22 ALA C C 22 180.456 180.456 179.654 0.802 25124 4999 1 8 . 1 1 22 22 ALA CA C 22 54.643 54.643 54.385 0.258 25124 5000 1 8 . 1 1 22 22 ALA CB C 22 19.225 19.225 18.758 0.467 25124 5001 1 8 . 1 1 22 22 ALA H H 22 7.933 7.933 7.592 0.341 25124 5002 1 8 . 1 1 23 23 LEU N N 23 118.139 118.139 119.802 -1.663 25124 5003 1 8 . 1 1 23 23 LEU HA H 23 4.005 4.005 3.894 0.111 25124 5004 1 8 . 1 1 23 23 LEU C C 23 178.843 178.843 179.411 -0.568 25124 5005 1 8 . 1 1 23 23 LEU CA C 23 57.765 57.765 57.870 -0.105 25124 5006 1 8 . 1 1 23 23 LEU CB C 23 39.919 39.919 41.425 -1.506 25124 5007 1 8 . 1 1 23 23 LEU H H 23 8.855 8.855 8.612 0.243 25124 5008 1 8 . 1 1 24 24 ALA N N 24 122.164 122.164 119.856 2.308 25124 5009 1 8 . 1 1 24 24 ALA HA H 24 4.665 4.665 4.042 0.623 25124 5010 1 8 . 1 1 24 24 ALA C C 24 183.206 183.206 179.523 3.683 25124 5011 1 8 . 1 1 24 24 ALA CA C 24 54.812 54.812 54.483 0.328 25124 5012 1 8 . 1 1 24 24 ALA CB C 24 17.820 17.820 18.312 -0.492 25124 5013 1 8 . 1 1 24 24 ALA H H 24 8.238 8.238 8.029 0.209 25124 5014 1 8 . 1 1 25 25 GLY N N 25 106.903 106.903 105.709 1.194 25124 5015 1 8 . 1 1 25 25 GLY C C 25 174.375 174.375 175.372 -0.997 25124 5016 1 8 . 1 1 25 25 GLY CA C 25 46.550 46.550 45.621 0.929 25124 5017 1 8 . 1 1 25 25 GLY H H 25 7.907 7.907 7.629 0.278 25124 5018 1 8 . 1 1 26 26 ALA N N 26 121.832 121.832 122.928 -1.096 25124 5019 1 8 . 1 1 26 26 ALA HA H 26 4.505 4.505 4.598 -0.093 25124 5020 1 8 . 1 1 26 26 ALA CA C 26 51.585 51.585 51.484 0.101 25124 5021 1 8 . 1 1 26 26 ALA CB C 26 18.799 18.799 18.986 -0.188 25124 5022 1 8 . 1 1 26 26 ALA H H 26 7.316 7.316 7.775 -0.459 25124 5023 1 8 . 1 1 27 27 GLY N N 27 106.146 106.146 106.689 -0.543 25124 5024 1 8 . 1 1 27 27 GLY C C 27 174.057 174.057 174.294 -0.237 25124 5025 1 8 . 1 1 27 27 GLY CA C 27 45.333 45.333 45.051 0.282 25124 5026 1 8 . 1 1 27 27 GLY H H 27 7.868 7.868 7.901 -0.033 25124 5027 1 8 . 1 1 28 28 LEU N N 28 120.273 120.273 121.542 -1.269 25124 5028 1 8 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.153 0.422 25124 5029 1 8 . 1 1 28 28 LEU C C 28 175.988 175.988 177.061 -1.073 25124 5030 1 8 . 1 1 28 28 LEU CA C 28 53.881 53.881 54.860 -0.979 25124 5031 1 8 . 1 1 28 28 LEU CB C 28 42.540 42.540 41.841 0.699 25124 5032 1 8 . 1 1 28 28 LEU H H 28 7.659 7.659 7.530 0.129 25124 5033 1 8 . 1 1 29 29 THR N N 29 118.173 118.173 118.473 -0.300 25124 5034 1 8 . 1 1 29 29 THR HA H 29 4.346 4.346 4.187 0.159 25124 5035 1 8 . 1 1 29 29 THR C C 29 173.344 173.344 173.725 -0.381 25124 5036 1 8 . 1 1 29 29 THR CA C 29 62.598 62.598 63.022 -0.424 25124 5037 1 8 . 1 1 29 29 THR CB C 29 69.423 69.423 68.442 0.981 25124 5038 1 8 . 1 1 29 29 THR H H 29 8.562 8.562 8.187 0.375 25124 5039 1 8 . 1 1 30 30 CYS N N 30 128.450 128.450 127.242 1.208 25124 5040 1 8 . 1 1 30 30 CYS HA H 30 6.012 6.012 4.583 1.429 25124 5041 1 8 . 1 1 30 30 CYS C C 30 173.978 173.978 174.215 -0.237 25124 5042 1 8 . 1 1 30 30 CYS CA C 30 56.424 56.424 57.772 -1.348 25124 5043 1 8 . 1 1 30 30 CYS CB C 30 29.615 29.615 28.990 0.625 25124 5044 1 8 . 1 1 30 30 CYS H H 30 9.035 9.035 8.652 0.383 25124 5045 1 8 . 1 1 31 31 THR N N 31 126.377 126.377 124.240 2.137 25124 5046 1 8 . 1 1 31 31 THR HA H 31 4.442 4.442 4.495 -0.053 25124 5047 1 8 . 1 1 31 31 THR C C 31 172.683 172.683 172.425 0.258 25124 5048 1 8 . 1 1 31 31 THR CA C 31 61.956 61.956 61.739 0.217 25124 5049 1 8 . 1 1 31 31 THR CB C 31 70.624 70.624 71.134 -0.510 25124 5050 1 8 . 1 1 31 31 THR H H 31 8.510 8.510 8.360 0.150 25124 5051 1 8 . 1 1 32 32 THR N N 32 115.988 115.988 114.177 1.811 25124 5052 1 8 . 1 1 32 32 THR HA H 32 5.454 5.454 4.809 0.645 25124 5053 1 8 . 1 1 32 32 THR C C 32 172.259 172.259 172.128 0.131 25124 5054 1 8 . 1 1 32 32 THR CA C 32 59.101 59.101 60.227 -1.126 25124 5055 1 8 . 1 1 32 32 THR CB C 32 71.173 71.173 71.531 -0.359 25124 5056 1 8 . 1 1 32 32 THR H H 32 8.301 8.301 7.760 0.541 25124 5057 1 8 . 1 1 33 33 PHE N N 33 117.690 117.690 121.247 -3.557 25124 5058 1 8 . 1 1 33 33 PHE HA H 33 4.723 4.723 4.741 -0.018 25124 5059 1 8 . 1 1 33 33 PHE C C 33 174.507 174.507 175.812 -1.305 25124 5060 1 8 . 1 1 33 33 PHE CA C 33 56.504 56.504 58.461 -1.957 25124 5061 1 8 . 1 1 33 33 PHE CB C 33 43.589 43.589 40.389 3.200 25124 5062 1 8 . 1 1 33 33 PHE H H 33 8.834 8.834 8.737 0.097 25124 5063 1 8 . 1 1 34 34 GLU N N 34 118.296 118.296 115.606 2.690 25124 5064 1 8 . 1 1 34 34 GLU HA H 34 4.451 4.451 4.468 -0.017 25124 5065 1 8 . 1 1 34 34 GLU C C 34 174.957 174.957 174.231 0.726 25124 5066 1 8 . 1 1 34 34 GLU CA C 34 56.661 56.661 57.034 -0.373 25124 5067 1 8 . 1 1 34 34 GLU CB C 34 31.792 31.792 31.204 0.588 25124 5068 1 8 . 1 1 34 34 GLU H H 34 9.096 9.096 8.394 0.702 25124 5069 1 8 . 1 1 35 35 ASN N N 35 108.486 108.486 114.595 -6.109 25124 5070 1 8 . 1 1 35 35 ASN HA H 35 4.960 4.960 5.021 -0.061 25124 5071 1 8 . 1 1 35 35 ASN C C 35 175.353 175.353 176.770 -1.417 25124 5072 1 8 . 1 1 35 35 ASN CA C 35 52.364 52.364 51.324 1.040 25124 5073 1 8 . 1 1 35 35 ASN CB C 35 40.932 40.932 40.668 0.264 25124 5074 1 8 . 1 1 35 35 ASN H H 35 7.286 7.286 7.765 -0.479 25124 5075 1 8 . 1 1 36 36 GLY N N 36 105.329 105.329 107.675 -2.346 25124 5076 1 8 . 1 1 36 36 GLY C C 36 174.586 174.586 175.365 -0.779 25124 5077 1 8 . 1 1 36 36 GLY CA C 36 47.533 47.533 47.069 0.464 25124 5078 1 8 . 1 1 36 36 GLY H H 36 9.369 9.369 8.733 0.636 25124 5079 1 8 . 1 1 37 37 ASN N N 37 120.396 120.396 118.379 2.017 25124 5080 1 8 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.284 0.078 25124 5081 1 8 . 1 1 37 37 ASN C C 37 178.791 178.791 177.179 1.612 25124 5082 1 8 . 1 1 37 37 ASN CA C 37 56.843 56.843 55.911 0.932 25124 5083 1 8 . 1 1 37 37 ASN CB C 37 37.716 37.716 37.908 -0.192 25124 5084 1 8 . 1 1 37 37 ASN H H 37 8.440 8.440 8.122 0.318 25124 5085 1 8 . 1 1 38 38 GLU N N 38 119.334 119.334 119.299 0.035 25124 5086 1 8 . 1 1 38 38 GLU HA H 38 4.058 4.058 3.834 0.224 25124 5087 1 8 . 1 1 38 38 GLU C C 38 179.372 179.372 178.775 0.597 25124 5088 1 8 . 1 1 38 38 GLU CA C 38 58.790 58.790 59.107 -0.317 25124 5089 1 8 . 1 1 38 38 GLU CB C 38 30.692 30.692 29.375 1.317 25124 5090 1 8 . 1 1 38 38 GLU H H 38 8.063 8.063 7.969 0.094 25124 5091 1 8 . 1 1 39 39 VAL N N 39 119.047 119.047 119.864 -0.817 25124 5092 1 8 . 1 1 39 39 VAL HA H 39 2.599 2.599 3.068 -0.469 25124 5093 1 8 . 1 1 39 39 VAL C C 39 176.807 176.807 178.223 -1.416 25124 5094 1 8 . 1 1 39 39 VAL CA C 39 65.222 65.222 65.360 -0.138 25124 5095 1 8 . 1 1 39 39 VAL CB C 39 31.078 31.078 30.922 0.155 25124 5096 1 8 . 1 1 39 39 VAL H H 39 6.844 6.844 7.176 -0.332 25124 5097 1 8 . 1 1 40 40 LEU N N 40 118.385 118.385 121.843 -3.458 25124 5098 1 8 . 1 1 40 40 LEU HA H 40 3.929 3.929 4.043 -0.114 25124 5099 1 8 . 1 1 40 40 LEU C C 40 179.584 179.584 178.819 0.765 25124 5100 1 8 . 1 1 40 40 LEU CA C 40 57.943 57.943 58.097 -0.154 25124 5101 1 8 . 1 1 40 40 LEU CB C 40 40.932 40.932 40.144 0.788 25124 5102 1 8 . 1 1 40 40 LEU H H 40 7.715 7.715 8.132 -0.417 25124 5103 1 8 . 1 1 41 41 ALA N N 41 120.091 120.091 120.786 -0.695 25124 5104 1 8 . 1 1 41 41 ALA HA H 41 4.158 4.158 3.892 0.266 25124 5105 1 8 . 1 1 41 41 ALA C C 41 180.562 180.562 179.582 0.980 25124 5106 1 8 . 1 1 41 41 ALA CA C 41 54.717 54.717 54.943 -0.226 25124 5107 1 8 . 1 1 41 41 ALA CB C 41 17.853 17.853 17.864 -0.011 25124 5108 1 8 . 1 1 41 41 ALA H H 41 7.671 7.671 7.698 -0.027 25124 5109 1 8 . 1 1 42 42 ALA N N 42 122.650 122.650 120.264 2.386 25124 5110 1 8 . 1 1 42 42 ALA HA H 42 4.221 4.221 4.176 0.045 25124 5111 1 8 . 1 1 42 42 ALA C C 42 180.166 180.166 179.717 0.449 25124 5112 1 8 . 1 1 42 42 ALA CA C 42 54.974 54.974 54.340 0.633 25124 5113 1 8 . 1 1 42 42 ALA CB C 42 19.488 19.488 18.150 1.338 25124 5114 1 8 . 1 1 42 42 ALA H H 42 7.573 7.573 7.159 0.414 25124 5115 1 8 . 1 1 43 43 LEU N N 43 119.321 119.321 121.485 -2.164 25124 5116 1 8 . 1 1 43 43 LEU HA H 43 5.260 5.260 4.617 0.643 25124 5117 1 8 . 1 1 43 43 LEU C C 43 177.389 177.389 179.838 -2.449 25124 5118 1 8 . 1 1 43 43 LEU CA C 43 55.446 55.446 57.843 -2.397 25124 5119 1 8 . 1 1 43 43 LEU CB C 43 42.879 42.879 42.026 0.854 25124 5120 1 8 . 1 1 43 43 LEU H H 43 8.289 8.289 8.427 -0.138 25124 5121 1 8 . 1 1 44 44 ALA N N 44 118.995 118.995 119.903 -0.908 25124 5122 1 8 . 1 1 44 44 ALA HA H 44 4.232 4.232 4.108 0.124 25124 5123 1 8 . 1 1 44 44 ALA C C 44 178.738 178.738 178.882 -0.144 25124 5124 1 8 . 1 1 44 44 ALA CA C 44 54.353 54.353 54.622 -0.269 25124 5125 1 8 . 1 1 44 44 ALA CB C 44 18.674 18.674 18.647 0.027 25124 5126 1 8 . 1 1 44 44 ALA H H 44 7.307 7.307 8.176 -0.869 25124 5127 1 8 . 1 1 45 45 SER N N 45 108.530 108.530 112.425 -3.895 25124 5128 1 8 . 1 1 45 45 SER HA H 45 4.761 4.761 4.459 0.302 25124 5129 1 8 . 1 1 45 45 SER C C 45 173.344 173.344 174.974 -1.630 25124 5130 1 8 . 1 1 45 45 SER CA C 45 58.682 58.682 60.162 -1.480 25124 5131 1 8 . 1 1 45 45 SER CB C 45 65.446 65.446 64.302 1.144 25124 5132 1 8 . 1 1 45 45 SER H H 45 7.772 7.772 7.884 -0.112 25124 5133 1 8 . 1 1 46 46 LYS N N 46 122.965 122.965 119.321 3.644 25124 5134 1 8 . 1 1 46 46 LYS HA H 46 4.608 4.608 4.574 0.034 25124 5135 1 8 . 1 1 46 46 LYS C C 46 172.815 172.815 174.076 -1.261 25124 5136 1 8 . 1 1 46 46 LYS CA C 46 55.601 55.601 55.247 0.354 25124 5137 1 8 . 1 1 46 46 LYS CB C 46 36.399 36.399 36.507 -0.108 25124 5138 1 8 . 1 1 46 46 LYS H H 46 8.096 8.096 8.386 -0.290 25124 5139 1 8 . 1 1 47 47 THR N N 47 111.524 111.524 113.732 -2.208 25124 5140 1 8 . 1 1 47 47 THR HA H 47 4.307 4.307 4.438 -0.131 25124 5141 1 8 . 1 1 47 47 THR CA C 47 57.896 57.896 58.323 -0.427 25124 5142 1 8 . 1 1 47 47 THR CB C 47 70.570 70.570 69.151 1.419 25124 5143 1 8 . 1 1 47 47 THR H H 47 7.708 7.708 8.179 -0.471 25124 5144 1 8 . 1 1 48 48 PRO HA H 48 3.944 3.944 3.800 0.144 25124 5145 1 8 . 1 1 48 48 PRO C C 48 173.079 173.079 175.774 -2.695 25124 5146 1 8 . 1 1 48 48 PRO CA C 48 60.922 60.922 61.937 -1.015 25124 5147 1 8 . 1 1 48 48 PRO CB C 48 30.353 30.353 31.794 -1.441 25124 5148 1 8 . 1 1 49 49 ASP N N 49 115.001 115.001 117.103 -2.102 25124 5149 1 8 . 1 1 49 49 ASP HA H 49 4.460 4.460 4.470 -0.010 25124 5150 1 8 . 1 1 49 49 ASP C C 49 175.591 175.591 174.895 0.696 25124 5151 1 8 . 1 1 49 49 ASP CA C 49 56.504 56.504 54.913 1.591 25124 5152 1 8 . 1 1 49 49 ASP CB C 49 42.625 42.625 42.033 0.592 25124 5153 1 8 . 1 1 49 49 ASP H H 49 8.535 8.535 8.238 0.297 25124 5154 1 8 . 1 1 50 50 VAL N N 50 111.832 111.832 115.185 -3.353 25124 5155 1 8 . 1 1 50 50 VAL HA H 50 4.316 4.316 4.261 0.055 25124 5156 1 8 . 1 1 50 50 VAL C C 50 171.572 171.572 173.305 -1.733 25124 5157 1 8 . 1 1 50 50 VAL CA C 50 60.398 60.398 61.371 -0.973 25124 5158 1 8 . 1 1 50 50 VAL CB C 50 34.650 34.650 32.798 1.852 25124 5159 1 8 . 1 1 50 50 VAL H H 50 7.194 7.194 7.215 -0.021 25124 5160 1 8 . 1 1 51 51 LEU N N 51 127.785 127.785 129.227 -1.442 25124 5161 1 8 . 1 1 51 51 LEU HA H 51 5.376 5.376 5.460 -0.084 25124 5162 1 8 . 1 1 51 51 LEU C C 51 173.264 173.264 175.155 -1.891 25124 5163 1 8 . 1 1 51 51 LEU CA C 51 53.137 53.137 52.732 0.405 25124 5164 1 8 . 1 1 51 51 LEU CB C 51 46.680 46.680 45.865 0.815 25124 5165 1 8 . 1 1 51 51 LEU H H 51 8.049 8.049 8.549 -0.500 25124 5166 1 8 . 1 1 52 52 LEU N N 52 128.943 128.943 124.979 3.964 25124 5167 1 8 . 1 1 52 52 LEU HA H 52 5.312 5.312 4.965 0.347 25124 5168 1 8 . 1 1 52 52 LEU C C 52 174.692 174.692 176.654 -1.962 25124 5169 1 8 . 1 1 52 52 LEU CA C 52 54.313 54.313 53.436 0.877 25124 5170 1 8 . 1 1 52 52 LEU CB C 52 43.961 43.961 40.751 3.210 25124 5171 1 8 . 1 1 52 52 LEU H H 52 9.278 9.278 8.009 1.269 25124 5172 1 8 . 1 1 53 53 SER N N 53 116.717 116.717 118.553 -1.836 25124 5173 1 8 . 1 1 53 53 SER HA H 53 5.395 5.395 4.260 1.135 25124 5174 1 8 . 1 1 53 53 SER C C 53 173.608 173.608 173.230 0.378 25124 5175 1 8 . 1 1 53 53 SER CA C 53 56.226 56.226 59.165 -2.939 25124 5176 1 8 . 1 1 53 53 SER CB C 53 65.753 65.753 64.107 1.646 25124 5177 1 8 . 1 1 53 53 SER H H 53 9.256 9.256 8.041 1.215 25124 5178 1 8 . 1 1 54 54 ASP N N 54 127.909 127.909 127.783 0.126 25124 5179 1 8 . 1 1 54 54 ASP HA H 54 5.622 5.622 5.415 0.207 25124 5180 1 8 . 1 1 54 54 ASP C C 54 175.723 175.723 176.282 -0.559 25124 5181 1 8 . 1 1 54 54 ASP CA C 54 53.268 53.268 52.801 0.467 25124 5182 1 8 . 1 1 54 54 ASP CB C 54 44.386 44.386 43.621 0.765 25124 5183 1 8 . 1 1 54 54 ASP H H 54 8.219 8.219 8.759 -0.540 25124 5184 1 8 . 1 1 55 55 ILE N N 55 117.015 117.015 119.885 -2.870 25124 5185 1 8 . 1 1 55 55 ILE HA H 55 4.116 4.116 4.541 -0.425 25124 5186 1 8 . 1 1 55 55 ILE C C 55 176.913 176.913 174.579 2.334 25124 5187 1 8 . 1 1 55 55 ILE CA C 55 65.290 65.290 59.586 5.704 25124 5188 1 8 . 1 1 55 55 ILE CB C 55 38.487 38.487 36.383 2.104 25124 5189 1 8 . 1 1 55 55 ILE H H 55 7.812 7.812 8.464 -0.652 25124 5190 1 8 . 1 1 56 56 ARG N N 56 117.365 117.365 122.885 -5.520 25124 5191 1 8 . 1 1 56 56 ARG HA H 56 4.379 4.379 4.464 -0.085 25124 5192 1 8 . 1 1 56 56 ARG C C 56 172.788 172.788 173.830 -1.042 25124 5193 1 8 . 1 1 56 56 ARG CA C 56 57.034 57.034 56.660 0.374 25124 5194 1 8 . 1 1 56 56 ARG CB C 56 27.600 27.600 30.067 -2.467 25124 5195 1 8 . 1 1 56 56 ARG H H 56 8.991 8.991 7.784 1.207 25124 5196 1 8 . 1 1 57 57 MET N N 57 129.539 129.539 118.538 11.001 25124 5197 1 8 . 1 1 57 57 MET HA H 57 4.767 4.767 5.037 -0.270 25124 5198 1 8 . 1 1 57 57 MET CA C 57 53.641 53.641 53.243 0.398 25124 5199 1 8 . 1 1 57 57 MET CB C 57 36.484 36.484 33.405 3.079 25124 5200 1 8 . 1 1 57 57 MET H H 57 7.501 7.501 7.741 -0.240 25124 5201 1 8 . 1 1 58 58 PRO HA H 58 4.379 4.379 4.449 -0.070 25124 5202 1 8 . 1 1 58 58 PRO C C 58 177.495 177.495 177.398 0.097 25124 5203 1 8 . 1 1 58 58 PRO CA C 58 63.104 63.104 63.811 -0.707 25124 5204 1 8 . 1 1 58 58 PRO CB C 58 31.922 31.922 32.282 -0.360 25124 5205 1 8 . 1 1 59 59 GLY N N 59 112.312 112.312 107.819 4.493 25124 5206 1 8 . 1 1 59 59 GLY C C 59 173.793 173.793 174.290 -0.497 25124 5207 1 8 . 1 1 59 59 GLY CA C 59 46.430 46.430 46.429 0.001 25124 5208 1 8 . 1 1 59 59 GLY H H 59 8.656 8.656 8.262 0.394 25124 5209 1 8 . 1 1 60 60 MET N N 60 124.343 124.343 118.270 6.073 25124 5210 1 8 . 1 1 60 60 MET HA H 60 4.344 4.344 4.571 -0.227 25124 5211 1 8 . 1 1 60 60 MET C C 60 174.190 174.190 174.833 -0.643 25124 5212 1 8 . 1 1 60 60 MET CA C 60 55.871 55.871 55.638 0.233 25124 5213 1 8 . 1 1 60 60 MET CB C 60 34.955 34.955 34.566 0.389 25124 5214 1 8 . 1 1 60 60 MET H H 60 7.778 7.778 8.054 -0.276 25124 5215 1 8 . 1 1 61 61 ASP N N 61 124.993 124.993 113.702 11.291 25124 5216 1 8 . 1 1 61 61 ASP HA H 61 4.870 4.870 4.712 0.158 25124 5217 1 8 . 1 1 61 61 ASP C C 61 176.966 176.966 174.993 1.973 25124 5218 1 8 . 1 1 61 61 ASP CA C 61 53.490 53.490 53.685 -0.195 25124 5219 1 8 . 1 1 61 61 ASP CB C 61 42.347 42.347 41.513 0.834 25124 5220 1 8 . 1 1 61 61 ASP H H 61 8.378 8.378 7.781 0.597 25124 5221 1 8 . 1 1 62 62 GLY N N 62 105.163 105.163 104.335 0.828 25124 5222 1 8 . 1 1 62 62 GLY C C 62 175.935 175.935 175.667 0.268 25124 5223 1 8 . 1 1 62 62 GLY CA C 62 46.755 46.755 45.347 1.408 25124 5224 1 8 . 1 1 62 62 GLY H H 62 10.153 10.153 8.495 1.658 25124 5225 1 8 . 1 1 63 63 LEU N N 63 120.509 120.509 121.390 -0.881 25124 5226 1 8 . 1 1 63 63 LEU HA H 63 4.293 4.293 4.215 0.078 25124 5227 1 8 . 1 1 63 63 LEU C C 63 179.293 179.293 178.212 1.081 25124 5228 1 8 . 1 1 63 63 LEU CA C 63 57.148 57.148 56.856 0.292 25124 5229 1 8 . 1 1 63 63 LEU CB C 63 40.053 40.053 41.889 -1.836 25124 5230 1 8 . 1 1 63 63 LEU H H 63 8.119 8.119 8.033 0.086 25124 5231 1 8 . 1 1 64 64 ALA N N 64 126.234 126.234 121.960 4.274 25124 5232 1 8 . 1 1 64 64 ALA HA H 64 4.112 4.112 4.076 0.036 25124 5233 1 8 . 1 1 64 64 ALA C C 64 181.223 181.223 178.825 2.398 25124 5234 1 8 . 1 1 64 64 ALA CA C 64 54.802 54.802 54.763 0.039 25124 5235 1 8 . 1 1 64 64 ALA CB C 64 18.133 18.133 18.044 0.089 25124 5236 1 8 . 1 1 64 64 ALA H H 64 8.303 8.303 7.734 0.569 25124 5237 1 8 . 1 1 65 65 LEU N N 65 120.067 120.067 118.015 2.052 25124 5238 1 8 . 1 1 65 65 LEU HA H 65 4.044 4.044 4.277 -0.233 25124 5239 1 8 . 1 1 65 65 LEU C C 65 177.548 177.548 178.207 -0.659 25124 5240 1 8 . 1 1 65 65 LEU CA C 65 58.197 58.197 57.357 0.840 25124 5241 1 8 . 1 1 65 65 LEU CB C 65 41.727 41.727 42.553 -0.826 25124 5242 1 8 . 1 1 65 65 LEU H H 65 8.398 8.398 7.842 0.556 25124 5243 1 8 . 1 1 66 66 LEU N N 66 120.890 120.890 119.683 1.207 25124 5244 1 8 . 1 1 66 66 LEU HA H 66 3.848 3.848 4.027 -0.179 25124 5245 1 8 . 1 1 66 66 LEU C C 66 177.230 177.230 178.479 -1.249 25124 5246 1 8 . 1 1 66 66 LEU CA C 66 58.736 58.736 57.348 1.388 25124 5247 1 8 . 1 1 66 66 LEU CB C 66 41.803 41.803 41.835 -0.032 25124 5248 1 8 . 1 1 66 66 LEU H H 66 8.203 8.203 7.625 0.578 25124 5249 1 8 . 1 1 67 67 LYS N N 67 116.919 116.919 118.202 -1.283 25124 5250 1 8 . 1 1 67 67 LYS HA H 67 4.004 4.004 3.978 0.026 25124 5251 1 8 . 1 1 67 67 LYS C C 67 179.452 179.452 178.687 0.765 25124 5252 1 8 . 1 1 67 67 LYS CA C 67 59.733 59.733 58.834 0.899 25124 5253 1 8 . 1 1 67 67 LYS CB C 67 32.415 32.415 32.144 0.272 25124 5254 1 8 . 1 1 67 67 LYS H H 67 7.667 7.667 8.160 -0.493 25124 5255 1 8 . 1 1 68 68 GLN N N 68 116.851 116.851 118.987 -2.136 25124 5256 1 8 . 1 1 68 68 GLN HA H 68 4.046 4.046 4.071 -0.025 25124 5257 1 8 . 1 1 68 68 GLN C C 68 179.319 179.319 178.225 1.094 25124 5258 1 8 . 1 1 68 68 GLN CA C 68 58.820 58.820 58.948 -0.128 25124 5259 1 8 . 1 1 68 68 GLN CB C 68 28.660 28.660 29.202 -0.542 25124 5260 1 8 . 1 1 68 68 GLN H H 68 7.677 7.677 7.524 0.153 25124 5261 1 8 . 1 1 69 69 ILE N N 69 120.670 120.670 116.164 4.506 25124 5262 1 8 . 1 1 69 69 ILE HA H 69 3.564 3.564 3.798 -0.234 25124 5263 1 8 . 1 1 69 69 ILE C C 69 177.786 177.786 178.407 -0.621 25124 5264 1 8 . 1 1 69 69 ILE CA C 69 65.381 65.381 64.185 1.196 25124 5265 1 8 . 1 1 69 69 ILE CB C 69 37.186 37.186 37.327 -0.141 25124 5266 1 8 . 1 1 69 69 ILE H H 69 8.918 8.918 7.535 1.383 25124 5267 1 8 . 1 1 70 70 LYS N N 70 118.002 118.002 119.354 -1.352 25124 5268 1 8 . 1 1 70 70 LYS HA H 70 3.936 3.936 4.016 -0.080 25124 5269 1 8 . 1 1 70 70 LYS C C 70 177.944 177.944 177.847 0.097 25124 5270 1 8 . 1 1 70 70 LYS CA C 70 57.351 57.351 58.781 -1.430 25124 5271 1 8 . 1 1 70 70 LYS CB C 70 31.440 31.440 32.029 -0.589 25124 5272 1 8 . 1 1 70 70 LYS H H 70 8.592 8.592 7.727 0.865 25124 5273 1 8 . 1 1 71 71 GLN N N 71 114.891 114.891 115.570 -0.679 25124 5274 1 8 . 1 1 71 71 GLN HA H 71 4.063 4.063 4.207 -0.144 25124 5275 1 8 . 1 1 71 71 GLN C C 71 177.019 177.019 177.822 -0.803 25124 5276 1 8 . 1 1 71 71 GLN CA C 71 58.007 58.007 57.145 0.862 25124 5277 1 8 . 1 1 71 71 GLN CB C 71 29.168 29.168 29.192 -0.024 25124 5278 1 8 . 1 1 71 71 GLN H H 71 7.266 7.266 7.634 -0.368 25124 5279 1 8 . 1 1 72 72 ARG N N 72 116.364 116.364 119.664 -3.300 25124 5280 1 8 . 1 1 72 72 ARG HA H 72 4.130 4.130 4.051 0.079 25124 5281 1 8 . 1 1 72 72 ARG C C 72 175.803 175.803 176.492 -0.689 25124 5282 1 8 . 1 1 72 72 ARG CA C 72 57.174 57.174 57.478 -0.304 25124 5283 1 8 . 1 1 72 72 ARG CB C 72 32.638 32.638 31.203 1.435 25124 5284 1 8 . 1 1 72 72 ARG H H 72 7.254 7.254 8.146 -0.892 25124 5285 1 8 . 1 1 73 73 HIS N N 73 116.981 116.981 112.814 4.167 25124 5286 1 8 . 1 1 73 73 HIS HA H 73 4.994 4.994 5.042 -0.048 25124 5287 1 8 . 1 1 73 73 HIS CA C 73 53.252 53.252 53.440 -0.188 25124 5288 1 8 . 1 1 73 73 HIS CB C 73 31.026 31.026 29.970 1.056 25124 5289 1 8 . 1 1 73 73 HIS H H 73 8.828 8.828 7.552 1.276 25124 5290 1 8 . 1 1 74 74 PRO HA H 74 4.435 4.435 4.414 0.021 25124 5291 1 8 . 1 1 74 74 PRO C C 74 178.156 178.156 177.371 0.785 25124 5292 1 8 . 1 1 74 74 PRO CA C 74 65.284 65.284 64.547 0.737 25124 5293 1 8 . 1 1 74 74 PRO CB C 74 32.130 32.130 31.905 0.225 25124 5294 1 8 . 1 1 75 75 MET N N 75 114.676 114.676 114.398 0.278 25124 5295 1 8 . 1 1 75 75 MET HA H 75 4.587 4.587 4.495 0.092 25124 5296 1 8 . 1 1 75 75 MET C C 75 176.067 176.067 176.332 -0.265 25124 5297 1 8 . 1 1 75 75 MET CA C 75 54.304 54.304 56.729 -2.425 25124 5298 1 8 . 1 1 75 75 MET CB C 75 31.623 31.623 32.359 -0.736 25124 5299 1 8 . 1 1 75 75 MET H H 75 8.648 8.648 7.727 0.921 25124 5300 1 8 . 1 1 76 76 LEU N N 76 125.720 125.720 118.225 7.495 25124 5301 1 8 . 1 1 76 76 LEU HA H 76 4.293 4.293 4.366 -0.073 25124 5302 1 8 . 1 1 76 76 LEU CA C 76 53.472 53.472 52.154 1.318 25124 5303 1 8 . 1 1 76 76 LEU CB C 76 43.540 43.540 41.803 1.737 25124 5304 1 8 . 1 1 76 76 LEU H H 76 7.342 7.342 7.395 -0.053 25124 5305 1 8 . 1 1 77 77 PRO HA H 77 4.440 4.440 4.413 0.027 25124 5306 1 8 . 1 1 77 77 PRO C C 77 175.062 175.062 175.441 -0.379 25124 5307 1 8 . 1 1 77 77 PRO CA C 77 62.841 62.841 62.602 0.239 25124 5308 1 8 . 1 1 77 77 PRO CB C 77 31.903 31.903 32.105 -0.202 25124 5309 1 8 . 1 1 78 78 VAL N N 78 123.116 123.116 120.091 3.025 25124 5310 1 8 . 1 1 78 78 VAL HA H 78 5.093 5.093 4.304 0.789 25124 5311 1 8 . 1 1 78 78 VAL C C 78 175.776 175.776 174.397 1.379 25124 5312 1 8 . 1 1 78 78 VAL CA C 78 60.083 60.083 61.500 -1.417 25124 5313 1 8 . 1 1 78 78 VAL CB C 78 34.245 34.245 35.878 -1.633 25124 5314 1 8 . 1 1 78 78 VAL H H 78 8.369 8.369 8.364 0.005 25124 5315 1 8 . 1 1 79 79 ILE N N 79 129.166 129.166 121.532 7.634 25124 5316 1 8 . 1 1 79 79 ILE HA H 79 4.499 4.499 4.598 -0.099 25124 5317 1 8 . 1 1 79 79 ILE C C 79 174.295 174.295 174.401 -0.106 25124 5318 1 8 . 1 1 79 79 ILE CA C 79 60.030 60.030 59.815 0.215 25124 5319 1 8 . 1 1 79 79 ILE CB C 79 40.222 40.222 42.172 -1.950 25124 5320 1 8 . 1 1 79 79 ILE H H 79 9.436 9.436 8.370 1.066 25124 5321 1 8 . 1 1 80 80 ILE N N 80 128.234 128.234 124.220 4.014 25124 5322 1 8 . 1 1 80 80 ILE HA H 80 5.253 5.253 4.485 0.768 25124 5323 1 8 . 1 1 80 80 ILE C C 80 173.449 173.449 174.310 -0.861 25124 5324 1 8 . 1 1 80 80 ILE CA C 80 56.265 56.265 59.599 -3.334 25124 5325 1 8 . 1 1 80 80 ILE CB C 80 38.176 38.176 38.508 -0.332 25124 5326 1 8 . 1 1 80 80 ILE H H 80 7.920 7.920 8.169 -0.249 25124 5327 1 8 . 1 1 81 81 MET N N 81 124.079 124.079 128.018 -3.939 25124 5328 1 8 . 1 1 81 81 MET HA H 81 5.489 5.489 4.730 0.759 25124 5329 1 8 . 1 1 81 81 MET C C 81 173.820 173.820 173.774 0.046 25124 5330 1 8 . 1 1 81 81 MET CA C 81 52.889 52.889 54.602 -1.713 25124 5331 1 8 . 1 1 81 81 MET CB C 81 36.663 36.663 35.091 1.572 25124 5332 1 8 . 1 1 81 81 MET H H 81 9.028 9.028 9.087 -0.059 25124 5333 1 8 . 1 1 82 82 THR N N 82 108.434 108.434 118.551 -10.117 25124 5334 1 8 . 1 1 82 82 THR HA H 82 5.134 5.134 4.544 0.590 25124 5335 1 8 . 1 1 82 82 THR C C 82 172.550 172.550 171.992 0.558 25124 5336 1 8 . 1 1 82 82 THR CA C 82 60.642 60.642 61.177 -0.535 25124 5337 1 8 . 1 1 82 82 THR CB C 82 68.843 68.843 70.833 -1.990 25124 5338 1 8 . 1 1 82 82 THR H H 82 7.098 7.098 8.203 -1.105 25124 5339 1 8 . 1 1 83 83 ALA N N 83 128.991 128.991 122.785 6.206 25124 5340 1 8 . 1 1 83 83 ALA HA H 83 4.678 4.678 4.823 -0.145 25124 5341 1 8 . 1 1 83 83 ALA C C 83 177.812 177.812 178.476 -0.664 25124 5342 1 8 . 1 1 83 83 ALA CA C 83 52.457 52.457 51.285 1.172 25124 5343 1 8 . 1 1 83 83 ALA CB C 83 19.396 19.396 20.536 -1.140 25124 5344 1 8 . 1 1 83 83 ALA H H 83 8.590 8.590 8.339 0.251 25124 5345 1 8 . 1 1 84 84 HIS N N 84 121.904 121.904 115.554 6.350 25124 5346 1 8 . 1 1 84 84 HIS HA H 84 4.576 4.576 4.378 0.198 25124 5347 1 8 . 1 1 84 84 HIS C C 84 175.512 175.512 177.243 -1.731 25124 5348 1 8 . 1 1 84 84 HIS CA C 84 56.674 56.674 57.609 -0.935 25124 5349 1 8 . 1 1 84 84 HIS CB C 84 29.589 29.589 29.548 0.041 25124 5350 1 8 . 1 1 84 84 HIS H H 84 8.865 8.865 8.899 -0.034 25124 5351 1 8 . 1 1 85 85 SER N N 85 114.679 114.679 115.240 -0.561 25124 5352 1 8 . 1 1 85 85 SER HA H 85 4.303 4.303 3.960 0.343 25124 5353 1 8 . 1 1 85 85 SER C C 85 174.560 174.560 174.684 -0.124 25124 5354 1 8 . 1 1 85 85 SER CA C 85 58.970 58.970 60.438 -1.468 25124 5355 1 8 . 1 1 85 85 SER CB C 85 62.829 62.829 63.201 -0.372 25124 5356 1 8 . 1 1 85 85 SER H H 85 8.016 8.016 8.398 -0.382 25124 5357 1 8 . 1 1 86 86 ASP N N 86 122.325 122.325 118.817 3.508 25124 5358 1 8 . 1 1 86 86 ASP HA H 86 4.761 4.761 4.796 -0.035 25124 5359 1 8 . 1 1 86 86 ASP C C 86 176.094 176.094 175.773 0.321 25124 5360 1 8 . 1 1 86 86 ASP CA C 86 53.627 53.627 53.540 0.087 25124 5361 1 8 . 1 1 86 86 ASP CB C 86 40.942 40.942 40.881 0.061 25124 5362 1 8 . 1 1 86 86 ASP H H 86 8.054 8.054 7.662 0.392 25124 5363 1 8 . 1 1 87 87 LEU N N 87 122.041 122.041 122.268 -0.227 25124 5364 1 8 . 1 1 87 87 LEU HA H 87 4.069 4.069 4.143 -0.074 25124 5365 1 8 . 1 1 87 87 LEU C C 87 177.892 177.892 177.446 0.446 25124 5366 1 8 . 1 1 87 87 LEU CA C 87 57.182 57.182 56.551 0.631 25124 5367 1 8 . 1 1 87 87 LEU CB C 87 42.015 42.015 42.733 -0.718 25124 5368 1 8 . 1 1 87 87 LEU H H 87 8.005 8.005 7.368 0.637 25124 5369 1 8 . 1 1 88 88 ASP N N 88 118.050 118.050 120.944 -2.894 25124 5370 1 8 . 1 1 88 88 ASP HA H 88 4.370 4.370 4.204 0.166 25124 5371 1 8 . 1 1 88 88 ASP C C 88 178.103 178.103 177.609 0.494 25124 5372 1 8 . 1 1 88 88 ASP CA C 88 56.342 56.342 57.007 -0.665 25124 5373 1 8 . 1 1 88 88 ASP CB C 88 40.280 40.280 39.803 0.476 25124 5374 1 8 . 1 1 88 88 ASP H H 88 8.243 8.243 8.453 -0.210 25124 5375 1 8 . 1 1 89 89 ALA N N 89 122.780 122.780 120.568 2.212 25124 5376 1 8 . 1 1 89 89 ALA HA H 89 4.038 4.038 4.150 -0.112 25124 5377 1 8 . 1 1 89 89 ALA C C 89 178.526 178.526 178.838 -0.312 25124 5378 1 8 . 1 1 89 89 ALA CA C 89 54.655 54.655 53.707 0.948 25124 5379 1 8 . 1 1 89 89 ALA CB C 89 18.809 18.809 18.305 0.504 25124 5380 1 8 . 1 1 89 89 ALA H H 89 7.890 7.890 7.670 0.220 25124 5381 1 8 . 1 1 90 90 ALA N N 90 120.040 120.040 120.759 -0.719 25124 5382 1 8 . 1 1 90 90 ALA HA H 90 3.254 3.254 3.661 -0.407 25124 5383 1 8 . 1 1 90 90 ALA C C 90 178.976 178.976 179.313 -0.337 25124 5384 1 8 . 1 1 90 90 ALA CA C 90 55.050 55.050 54.613 0.437 25124 5385 1 8 . 1 1 90 90 ALA CB C 90 17.725 17.725 17.977 -0.252 25124 5386 1 8 . 1 1 90 90 ALA H H 90 7.513 7.513 7.713 -0.200 25124 5387 1 8 . 1 1 91 91 VAL N N 91 116.635 116.635 117.566 -0.931 25124 5388 1 8 . 1 1 91 91 VAL HA H 91 3.637 3.637 3.866 -0.229 25124 5389 1 8 . 1 1 91 91 VAL C C 91 178.632 178.632 177.686 0.946 25124 5390 1 8 . 1 1 91 91 VAL CA C 91 65.971 65.971 66.074 -0.103 25124 5391 1 8 . 1 1 91 91 VAL CB C 91 31.623 31.623 32.029 -0.406 25124 5392 1 8 . 1 1 91 91 VAL H H 91 7.877 7.877 7.188 0.689 25124 5393 1 8 . 1 1 92 92 SER N N 92 115.439 115.439 116.308 -0.869 25124 5394 1 8 . 1 1 92 92 SER HA H 92 4.215 4.215 3.980 0.235 25124 5395 1 8 . 1 1 92 92 SER C C 92 175.961 175.961 176.670 -0.709 25124 5396 1 8 . 1 1 92 92 SER CA C 92 61.401 61.401 61.825 -0.424 25124 5397 1 8 . 1 1 92 92 SER CB C 92 62.966 62.966 62.903 0.063 25124 5398 1 8 . 1 1 92 92 SER H H 92 7.912 7.912 7.474 0.438 25124 5399 1 8 . 1 1 93 93 ALA N N 93 122.647 122.647 123.575 -0.928 25124 5400 1 8 . 1 1 93 93 ALA HA H 93 3.786 3.786 3.985 -0.199 25124 5401 1 8 . 1 1 93 93 ALA C C 93 179.293 179.293 179.584 -0.291 25124 5402 1 8 . 1 1 93 93 ALA CA C 93 55.172 55.172 54.864 0.308 25124 5403 1 8 . 1 1 93 93 ALA CB C 93 17.161 17.161 17.872 -0.712 25124 5404 1 8 . 1 1 93 93 ALA H H 93 8.199 8.199 8.305 -0.106 25124 5405 1 8 . 1 1 94 94 TYR N N 94 117.796 117.796 117.652 0.144 25124 5406 1 8 . 1 1 94 94 TYR HA H 94 4.283 4.283 4.159 0.124 25124 5407 1 8 . 1 1 94 94 TYR C C 94 179.954 179.954 178.258 1.696 25124 5408 1 8 . 1 1 94 94 TYR CA C 94 61.216 61.216 60.579 0.637 25124 5409 1 8 . 1 1 94 94 TYR CB C 94 37.716 37.716 37.603 0.113 25124 5410 1 8 . 1 1 94 94 TYR H H 94 8.065 8.065 7.471 0.594 25124 5411 1 8 . 1 1 95 95 GLN N N 95 120.057 120.057 116.577 3.480 25124 5412 1 8 . 1 1 95 95 GLN HA H 95 4.005 4.005 4.099 -0.094 25124 5413 1 8 . 1 1 95 95 GLN C C 95 177.680 177.680 177.884 -0.204 25124 5414 1 8 . 1 1 95 95 GLN CA C 95 58.471 58.471 57.932 0.539 25124 5415 1 8 . 1 1 95 95 GLN CB C 95 28.334 28.334 28.296 0.038 25124 5416 1 8 . 1 1 95 95 GLN H H 95 8.513 8.513 7.657 0.856 25124 5417 1 8 . 1 1 96 96 GLN N N 96 115.323 115.323 116.471 -1.148 25124 5418 1 8 . 1 1 96 96 GLN HA H 96 4.321 4.321 4.297 0.024 25124 5419 1 8 . 1 1 96 96 GLN C C 96 175.538 175.538 176.139 -0.601 25124 5420 1 8 . 1 1 96 96 GLN CA C 96 55.379 55.379 56.076 -0.697 25124 5421 1 8 . 1 1 96 96 GLN CB C 96 28.915 28.915 29.623 -0.708 25124 5422 1 8 . 1 1 96 96 GLN H H 96 7.774 7.774 7.678 0.096 25124 5423 1 8 . 1 1 97 97 GLY N N 97 104.173 104.173 105.400 -1.227 25124 5424 1 8 . 1 1 97 97 GLY C C 97 175.168 175.168 174.049 1.119 25124 5425 1 8 . 1 1 97 97 GLY CA C 97 45.491 45.491 44.673 0.818 25124 5426 1 8 . 1 1 97 97 GLY H H 97 7.576 7.576 7.461 0.115 25124 5427 1 8 . 1 1 98 98 ALA N N 98 123.484 123.484 121.602 1.882 25124 5428 1 8 . 1 1 98 98 ALA HA H 98 4.266 4.266 4.356 -0.090 25124 5429 1 8 . 1 1 98 98 ALA C C 98 176.067 176.067 176.723 -0.656 25124 5430 1 8 . 1 1 98 98 ALA CA C 98 53.008 53.008 52.520 0.488 25124 5431 1 8 . 1 1 98 98 ALA CB C 98 18.556 18.556 19.980 -1.424 25124 5432 1 8 . 1 1 98 98 ALA H H 98 8.358 8.358 7.788 0.570 25124 5433 1 8 . 1 1 99 99 PHE N N 99 123.551 123.551 121.150 2.401 25124 5434 1 8 . 1 1 99 99 PHE HA H 99 4.259 4.259 4.719 -0.460 25124 5435 1 8 . 1 1 99 99 PHE C C 99 175.432 175.432 175.713 -0.281 25124 5436 1 8 . 1 1 99 99 PHE CA C 99 60.274 60.274 59.663 0.610 25124 5437 1 8 . 1 1 99 99 PHE CB C 99 40.375 40.375 41.409 -1.034 25124 5438 1 8 . 1 1 99 99 PHE H H 99 9.477 9.477 8.309 1.168 25124 5439 1 8 . 1 1 100 100 ASP N N 100 110.678 110.678 114.707 -4.029 25124 5440 1 8 . 1 1 100 100 ASP HA H 100 4.547 4.547 5.098 -0.550 25124 5441 1 8 . 1 1 100 100 ASP C C 100 173.053 173.053 173.817 -0.764 25124 5442 1 8 . 1 1 100 100 ASP CA C 100 52.527 52.527 54.184 -1.657 25124 5443 1 8 . 1 1 100 100 ASP CB C 100 44.789 44.789 44.348 0.441 25124 5444 1 8 . 1 1 100 100 ASP H H 100 7.683 7.683 8.261 -0.578 25124 5445 1 8 . 1 1 101 101 TYR N N 101 122.174 122.174 121.474 0.700 25124 5446 1 8 . 1 1 101 101 TYR HA H 101 5.425 5.425 5.209 0.216 25124 5447 1 8 . 1 1 101 101 TYR C C 101 172.550 172.550 174.320 -1.770 25124 5448 1 8 . 1 1 101 101 TYR CA C 101 55.865 55.865 56.637 -0.772 25124 5449 1 8 . 1 1 101 101 TYR CB C 101 41.760 41.760 39.711 2.049 25124 5450 1 8 . 1 1 101 101 TYR H H 101 9.874 9.874 8.705 1.169 25124 5451 1 8 . 1 1 102 102 LEU N N 102 129.337 129.337 129.777 -0.440 25124 5452 1 8 . 1 1 102 102 LEU HA H 102 4.677 4.677 4.684 -0.007 25124 5453 1 8 . 1 1 102 102 LEU CA C 102 50.418 50.418 50.677 -0.259 25124 5454 1 8 . 1 1 102 102 LEU CB C 102 45.066 45.066 43.666 1.400 25124 5455 1 8 . 1 1 102 102 LEU H H 102 8.974 8.974 7.875 1.099 25124 5456 1 8 . 1 1 103 103 PRO HA H 103 4.552 4.552 4.439 0.113 25124 5457 1 8 . 1 1 103 103 PRO C C 103 176.067 176.067 175.502 0.565 25124 5458 1 8 . 1 1 103 103 PRO CA C 103 61.951 61.951 62.298 -0.347 25124 5459 1 8 . 1 1 103 103 PRO CB C 103 31.829 31.829 32.327 -0.498 25124 5460 1 8 . 1 1 104 104 LYS N N 104 118.403 118.403 119.724 -1.321 25124 5461 1 8 . 1 1 104 104 LYS HA H 104 4.459 4.459 4.993 -0.534 25124 5462 1 8 . 1 1 104 104 LYS CA C 104 53.204 53.204 53.133 0.071 25124 5463 1 8 . 1 1 104 104 LYS CB C 104 34.500 34.500 32.035 2.465 25124 5464 1 8 . 1 1 104 104 LYS H H 104 8.013 8.013 8.171 -0.158 25124 5465 1 8 . 1 1 105 105 PRO HA H 105 4.258 4.258 4.536 -0.278 25124 5466 1 8 . 1 1 105 105 PRO C C 105 174.930 174.930 175.965 -1.035 25124 5467 1 8 . 1 1 105 105 PRO CA C 105 62.213 62.213 63.154 -0.940 25124 5468 1 8 . 1 1 105 105 PRO CB C 105 34.151 34.151 32.038 2.113 25124 5469 1 8 . 1 1 106 106 PHE N N 106 116.796 116.796 119.811 -3.015 25124 5470 1 8 . 1 1 106 106 PHE HA H 106 5.169 5.169 4.753 0.416 25124 5471 1 8 . 1 1 106 106 PHE C C 106 175.194 175.194 174.528 0.666 25124 5472 1 8 . 1 1 106 106 PHE CA C 106 53.244 53.244 56.071 -2.827 25124 5473 1 8 . 1 1 106 106 PHE CB C 106 40.477 40.477 41.204 -0.727 25124 5474 1 8 . 1 1 106 106 PHE H H 106 7.399 7.399 7.936 -0.537 25124 5475 1 8 . 1 1 107 107 ASP N N 107 122.212 122.212 123.758 -1.546 25124 5476 1 8 . 1 1 107 107 ASP HA H 107 4.823 4.823 4.832 -0.009 25124 5477 1 8 . 1 1 107 107 ASP C C 107 177.812 177.812 177.049 0.763 25124 5478 1 8 . 1 1 107 107 ASP CA C 107 53.392 53.392 53.397 -0.005 25124 5479 1 8 . 1 1 107 107 ASP CB C 107 42.455 42.455 41.642 0.813 25124 5480 1 8 . 1 1 107 107 ASP H H 107 9.047 9.047 8.625 0.422 25124 5481 1 8 . 1 1 108 108 ILE N N 108 127.963 127.963 123.255 4.708 25124 5482 1 8 . 1 1 108 108 ILE HA H 108 3.949 3.949 3.917 0.032 25124 5483 1 8 . 1 1 108 108 ILE C C 108 176.226 176.226 176.835 -0.609 25124 5484 1 8 . 1 1 108 108 ILE CA C 108 63.105 63.105 64.195 -1.090 25124 5485 1 8 . 1 1 108 108 ILE CB C 108 37.665 37.665 37.033 0.632 25124 5486 1 8 . 1 1 108 108 ILE H H 108 8.898 8.898 8.342 0.556 25124 5487 1 8 . 1 1 109 109 ASP N N 109 119.804 119.804 120.975 -1.171 25124 5488 1 8 . 1 1 109 109 ASP HA H 109 4.393 4.393 4.344 0.049 25124 5489 1 8 . 1 1 109 109 ASP C C 109 179.848 179.848 178.881 0.967 25124 5490 1 8 . 1 1 109 109 ASP CA C 109 57.483 57.483 58.215 -0.732 25124 5491 1 8 . 1 1 109 109 ASP CB C 109 39.986 39.986 40.155 -0.169 25124 5492 1 8 . 1 1 109 109 ASP H H 109 8.098 8.098 8.525 -0.427 25124 5493 1 8 . 1 1 110 110 GLU N N 110 121.667 121.667 118.794 2.873 25124 5494 1 8 . 1 1 110 110 GLU HA H 110 4.085 4.085 4.295 -0.210 25124 5495 1 8 . 1 1 110 110 GLU C C 110 178.976 178.976 178.154 0.822 25124 5496 1 8 . 1 1 110 110 GLU CA C 110 58.790 58.790 58.102 0.688 25124 5497 1 8 . 1 1 110 110 GLU CB C 110 29.330 29.330 30.108 -0.778 25124 5498 1 8 . 1 1 110 110 GLU H H 110 8.059 8.059 8.150 -0.091 25124 5499 1 8 . 1 1 111 111 ALA N N 111 122.208 122.208 123.430 -1.222 25124 5500 1 8 . 1 1 111 111 ALA HA H 111 3.758 3.758 4.170 -0.412 25124 5501 1 8 . 1 1 111 111 ALA C C 111 178.605 178.605 179.576 -0.971 25124 5502 1 8 . 1 1 111 111 ALA CA C 111 55.320 55.320 55.051 0.269 25124 5503 1 8 . 1 1 111 111 ALA CB C 111 18.174 18.174 18.604 -0.430 25124 5504 1 8 . 1 1 111 111 ALA H H 111 7.903 7.903 7.591 0.312 25124 5505 1 8 . 1 1 112 112 VAL N N 112 116.429 116.429 118.497 -2.068 25124 5506 1 8 . 1 1 112 112 VAL HA H 112 3.194 3.194 3.576 -0.382 25124 5507 1 8 . 1 1 112 112 VAL C C 112 177.230 177.230 177.706 -0.476 25124 5508 1 8 . 1 1 112 112 VAL CA C 112 67.154 67.154 66.981 0.173 25124 5509 1 8 . 1 1 112 112 VAL CB C 112 31.538 31.538 31.581 -0.043 25124 5510 1 8 . 1 1 112 112 VAL H H 112 8.032 8.032 8.626 -0.594 25124 5511 1 8 . 1 1 113 113 ALA N N 113 120.198 120.198 120.365 -0.167 25124 5512 1 8 . 1 1 113 113 ALA HA H 113 4.159 4.159 4.282 -0.123 25124 5513 1 8 . 1 1 113 113 ALA C C 113 180.589 180.589 179.133 1.456 25124 5514 1 8 . 1 1 113 113 ALA CA C 113 54.902 54.902 54.306 0.596 25124 5515 1 8 . 1 1 113 113 ALA CB C 113 17.980 17.980 18.742 -0.763 25124 5516 1 8 . 1 1 113 113 ALA H H 113 7.723 7.723 7.787 -0.064 25124 5517 1 8 . 1 1 114 114 LEU N N 114 120.742 120.742 120.349 0.393 25124 5518 1 8 . 1 1 114 114 LEU HA H 114 4.102 4.102 4.230 -0.128 25124 5519 1 8 . 1 1 114 114 LEU C C 114 178.605 178.605 178.347 0.258 25124 5520 1 8 . 1 1 114 114 LEU CA C 114 58.181 58.181 57.147 1.034 25124 5521 1 8 . 1 1 114 114 LEU CB C 114 42.032 42.032 42.142 -0.109 25124 5522 1 8 . 1 1 114 114 LEU H H 114 7.928 7.928 7.425 0.503 25124 5523 1 8 . 1 1 115 115 VAL N N 115 119.478 119.478 119.072 0.406 25124 5524 1 8 . 1 1 115 115 VAL HA H 115 3.250 3.250 3.513 -0.263 25124 5525 1 8 . 1 1 115 115 VAL C C 115 177.548 177.548 177.914 -0.366 25124 5526 1 8 . 1 1 115 115 VAL CA C 115 67.168 67.168 66.886 0.282 25124 5527 1 8 . 1 1 115 115 VAL CB C 115 30.760 30.760 31.501 -0.741 25124 5528 1 8 . 1 1 115 115 VAL H H 115 7.846 7.846 8.337 -0.491 25124 5529 1 8 . 1 1 116 116 GLU N N 116 117.570 117.570 117.085 0.485 25124 5530 1 8 . 1 1 116 116 GLU HA H 116 3.809 3.809 4.109 -0.300 25124 5531 1 8 . 1 1 116 116 GLU C C 116 179.557 179.557 178.418 1.139 25124 5532 1 8 . 1 1 116 116 GLU CA C 116 59.974 59.974 58.168 1.806 25124 5533 1 8 . 1 1 116 116 GLU CB C 116 29.084 29.084 29.226 -0.142 25124 5534 1 8 . 1 1 116 116 GLU H H 116 8.462 8.462 8.085 0.378 25124 5535 1 8 . 1 1 117 117 ARG N N 117 120.263 120.263 120.007 0.256 25124 5536 1 8 . 1 1 117 117 ARG HA H 117 4.109 4.109 4.120 -0.011 25124 5537 1 8 . 1 1 117 117 ARG C C 117 178.500 178.500 178.348 0.152 25124 5538 1 8 . 1 1 117 117 ARG CA C 117 59.411 59.411 59.612 -0.201 25124 5539 1 8 . 1 1 117 117 ARG CB C 117 30.414 30.414 30.274 0.140 25124 5540 1 8 . 1 1 117 117 ARG H H 117 8.090 8.090 7.612 0.478 25124 5541 1 8 . 1 1 118 118 ALA N N 118 122.157 122.157 119.833 2.324 25124 5542 1 8 . 1 1 118 118 ALA HA H 118 3.467 3.467 4.127 -0.660 25124 5543 1 8 . 1 1 118 118 ALA C C 118 178.632 178.632 179.780 -1.148 25124 5544 1 8 . 1 1 118 118 ALA CA C 118 54.739 54.739 53.820 0.919 25124 5545 1 8 . 1 1 118 118 ALA CB C 118 18.280 18.280 17.886 0.394 25124 5546 1 8 . 1 1 118 118 ALA H H 118 8.005 8.005 7.202 0.803 25124 5547 1 8 . 1 1 119 119 ILE N N 119 115.429 115.429 119.412 -3.983 25124 5548 1 8 . 1 1 119 119 ILE HA H 119 3.706 3.706 3.726 -0.020 25124 5549 1 8 . 1 1 119 119 ILE C C 119 177.442 177.442 178.716 -1.274 25124 5550 1 8 . 1 1 119 119 ILE CA C 119 63.910 63.910 64.733 -0.823 25124 5551 1 8 . 1 1 119 119 ILE CB C 119 37.939 37.939 37.364 0.575 25124 5552 1 8 . 1 1 119 119 ILE H H 119 7.788 7.788 7.493 0.295 25124 5553 1 8 . 1 1 120 120 SER N N 120 114.902 114.902 116.429 -1.527 25124 5554 1 8 . 1 1 120 120 SER HA H 120 4.285 4.285 4.044 0.241 25124 5555 1 8 . 1 1 120 120 SER C C 120 175.142 175.142 176.532 -1.390 25124 5556 1 8 . 1 1 120 120 SER CA C 120 59.871 59.871 61.857 -1.986 25124 5557 1 8 . 1 1 120 120 SER CB C 120 63.522 63.522 63.082 0.440 25124 5558 1 8 . 1 1 120 120 SER H H 120 7.881 7.881 8.613 -0.732 25124 5559 1 8 . 1 1 121 121 HIS N N 121 119.927 119.927 119.196 0.731 25124 5560 1 8 . 1 1 121 121 HIS HA H 121 4.439 4.439 4.153 0.286 25124 5561 1 8 . 1 1 121 121 HIS C C 121 174.957 174.957 175.723 -0.766 25124 5562 1 8 . 1 1 121 121 HIS CA C 121 57.362 57.362 58.006 -0.644 25124 5563 1 8 . 1 1 121 121 HIS CB C 121 29.496 29.496 29.562 -0.066 25124 5564 1 8 . 1 1 121 121 HIS H H 121 7.960 7.960 7.823 0.137 25124 5565 1 8 . 1 1 122 122 TYR N N 122 118.745 118.745 118.972 -0.227 25124 5566 1 8 . 1 1 122 122 TYR HA H 122 4.455 4.455 4.556 -0.101 25124 5567 1 8 . 1 1 122 122 TYR C C 122 175.353 175.353 174.878 0.475 25124 5568 1 8 . 1 1 122 122 TYR CA C 122 58.528 58.528 56.034 2.494 25124 5569 1 8 . 1 1 122 122 TYR CB C 122 38.726 38.726 37.516 1.210 25124 5570 1 8 . 1 1 122 122 TYR H H 122 7.776 7.776 7.516 0.260 25124 5571 1 8 . 1 1 123 123 GLN N N 123 121.424 121.424 120.508 0.916 25124 5572 1 8 . 1 1 123 123 GLN HA H 123 4.294 4.294 4.209 0.085 25124 5573 1 8 . 1 1 123 123 GLN C C 123 174.560 174.560 174.985 -0.425 25124 5574 1 8 . 1 1 123 123 GLN CA C 123 55.658 55.658 55.984 -0.326 25124 5575 1 8 . 1 1 123 123 GLN CB C 123 29.877 29.877 29.464 0.413 25124 5576 1 8 . 1 1 123 123 GLN H H 123 7.904 7.904 8.101 -0.197 25124 5577 1 9 . 1 1 2 2 GLN HA H 2 4.453 4.453 4.800 -0.347 25124 5578 1 9 . 1 1 2 2 GLN C C 2 174.930 174.930 173.716 1.214 25124 5579 1 9 . 1 1 2 2 GLN CA C 2 55.627 55.627 56.254 -0.627 25124 5580 1 9 . 1 1 2 2 GLN CB C 2 29.312 29.312 31.111 -1.799 25124 5581 1 9 . 1 1 3 3 ARG N N 3 121.349 121.349 123.768 -2.419 25124 5582 1 9 . 1 1 3 3 ARG HA H 3 4.390 4.390 4.590 -0.200 25124 5583 1 9 . 1 1 3 3 ARG C C 3 175.723 175.723 173.696 2.027 25124 5584 1 9 . 1 1 3 3 ARG CA C 3 56.041 56.041 55.912 0.129 25124 5585 1 9 . 1 1 3 3 ARG CB C 3 31.395 31.395 33.218 -1.823 25124 5586 1 9 . 1 1 3 3 ARG H H 3 8.451 8.451 9.391 -0.940 25124 5587 1 9 . 1 1 4 4 GLY N N 4 107.889 107.889 108.855 -0.966 25124 5588 1 9 . 1 1 4 4 GLY C C 4 171.122 171.122 172.461 -1.339 25124 5589 1 9 . 1 1 4 4 GLY CA C 4 45.333 45.333 44.883 0.450 25124 5590 1 9 . 1 1 4 4 GLY H H 4 8.037 8.037 8.321 -0.284 25124 5591 1 9 . 1 1 5 5 ILE N N 5 122.674 122.674 121.023 1.651 25124 5592 1 9 . 1 1 5 5 ILE HA H 5 4.731 4.731 4.018 0.713 25124 5593 1 9 . 1 1 5 5 ILE C C 5 175.459 175.459 174.885 0.574 25124 5594 1 9 . 1 1 5 5 ILE CA C 5 60.614 60.614 62.122 -1.508 25124 5595 1 9 . 1 1 5 5 ILE CB C 5 39.535 39.535 37.305 2.230 25124 5596 1 9 . 1 1 5 5 ILE H H 5 9.605 9.605 8.212 1.393 25124 5597 1 9 . 1 1 6 6 VAL N N 6 127.532 127.532 127.902 -0.370 25124 5598 1 9 . 1 1 6 6 VAL HA H 6 4.892 4.892 4.327 0.565 25124 5599 1 9 . 1 1 6 6 VAL C C 6 174.110 174.110 174.553 -0.443 25124 5600 1 9 . 1 1 6 6 VAL CA C 6 59.255 59.255 61.535 -2.280 25124 5601 1 9 . 1 1 6 6 VAL CB C 6 34.530 34.530 31.898 2.632 25124 5602 1 9 . 1 1 6 6 VAL H H 6 9.135 9.135 8.190 0.945 25124 5603 1 9 . 1 1 7 7 TRP N N 7 127.409 127.409 127.902 -0.493 25124 5604 1 9 . 1 1 7 7 TRP HA H 7 6.447 6.447 4.852 1.595 25124 5605 1 9 . 1 1 7 7 TRP C C 7 175.089 175.089 175.051 0.038 25124 5606 1 9 . 1 1 7 7 TRP CA C 7 52.797 52.797 54.300 -1.503 25124 5607 1 9 . 1 1 7 7 TRP CB C 7 33.255 33.255 29.820 3.435 25124 5608 1 9 . 1 1 7 7 TRP H H 7 8.544 8.544 8.542 0.002 25124 5609 1 9 . 1 1 8 8 VAL N N 8 122.270 122.270 125.676 -3.406 25124 5610 1 9 . 1 1 8 8 VAL HA H 8 5.135 5.135 4.520 0.615 25124 5611 1 9 . 1 1 8 8 VAL C C 8 173.820 173.820 174.395 -0.575 25124 5612 1 9 . 1 1 8 8 VAL CA C 8 60.457 60.457 60.708 -0.251 25124 5613 1 9 . 1 1 8 8 VAL CB C 8 35.893 35.893 33.478 2.415 25124 5614 1 9 . 1 1 8 8 VAL H H 8 8.643 8.643 8.308 0.335 25124 5615 1 9 . 1 1 9 9 VAL N N 9 126.806 126.806 128.017 -1.211 25124 5616 1 9 . 1 1 9 9 VAL HA H 9 5.192 5.192 4.405 0.787 25124 5617 1 9 . 1 1 9 9 VAL C C 9 172.550 172.550 174.324 -1.774 25124 5618 1 9 . 1 1 9 9 VAL CA C 9 58.384 58.384 60.983 -2.599 25124 5619 1 9 . 1 1 9 9 VAL CB C 9 34.135 34.135 31.916 2.220 25124 5620 1 9 . 1 1 9 9 VAL H H 9 9.113 9.113 8.532 0.581 25124 5621 1 9 . 1 1 10 10 ASP N N 10 125.011 125.011 126.687 -1.676 25124 5622 1 9 . 1 1 10 10 ASP HA H 10 4.554 4.554 4.801 -0.247 25124 5623 1 9 . 1 1 10 10 ASP C C 10 174.877 174.877 174.097 0.780 25124 5624 1 9 . 1 1 10 10 ASP CA C 10 55.066 55.066 53.372 1.694 25124 5625 1 9 . 1 1 10 10 ASP CB C 10 44.131 44.131 43.747 0.384 25124 5626 1 9 . 1 1 10 10 ASP H H 10 7.881 7.881 8.183 -0.302 25124 5627 1 9 . 1 1 11 11 ASP N N 11 124.048 124.048 122.455 1.593 25124 5628 1 9 . 1 1 11 11 ASP HA H 11 4.613 4.613 4.895 -0.282 25124 5629 1 9 . 1 1 11 11 ASP C C 11 175.089 175.089 174.344 0.745 25124 5630 1 9 . 1 1 11 11 ASP CA C 11 55.346 55.346 54.131 1.215 25124 5631 1 9 . 1 1 11 11 ASP CB C 11 39.583 39.583 40.329 -0.746 25124 5632 1 9 . 1 1 11 11 ASP H H 11 9.166 9.166 8.585 0.581 25124 5633 1 9 . 1 1 12 12 ASP N N 12 125.165 125.165 122.347 2.818 25124 5634 1 9 . 1 1 12 12 ASP HA H 12 4.757 4.757 4.675 0.082 25124 5635 1 9 . 1 1 12 12 ASP C C 12 176.993 176.993 175.919 1.074 25124 5636 1 9 . 1 1 12 12 ASP CA C 12 53.112 53.112 54.580 -1.468 25124 5637 1 9 . 1 1 12 12 ASP CB C 12 41.072 41.072 43.388 -2.316 25124 5638 1 9 . 1 1 12 12 ASP H H 12 10.290 10.290 7.786 2.504 25124 5639 1 9 . 1 1 13 13 SER N N 13 123.818 123.818 120.060 3.758 25124 5640 1 9 . 1 1 13 13 SER HA H 13 3.719 3.719 4.088 -0.369 25124 5641 1 9 . 1 1 13 13 SER C C 13 176.146 176.146 176.042 0.104 25124 5642 1 9 . 1 1 13 13 SER CA C 13 61.341 61.341 61.410 -0.070 25124 5643 1 9 . 1 1 13 13 SER CB C 13 62.638 62.638 63.502 -0.864 25124 5644 1 9 . 1 1 13 13 SER H H 13 8.993 8.993 8.759 0.234 25124 5645 1 9 . 1 1 14 14 SER N N 14 118.714 118.714 117.532 1.182 25124 5646 1 9 . 1 1 14 14 SER HA H 14 4.322 4.322 4.287 0.035 25124 5647 1 9 . 1 1 14 14 SER C C 14 176.411 176.411 176.324 0.087 25124 5648 1 9 . 1 1 14 14 SER CA C 14 61.717 61.717 62.328 -0.611 25124 5649 1 9 . 1 1 14 14 SER CB C 14 62.554 62.554 63.131 -0.577 25124 5650 1 9 . 1 1 14 14 SER H H 14 8.499 8.499 7.880 0.619 25124 5651 1 9 . 1 1 15 15 ILE N N 15 122.822 122.822 120.256 2.566 25124 5652 1 9 . 1 1 15 15 ILE HA H 15 3.972 3.972 3.917 0.055 25124 5653 1 9 . 1 1 15 15 ILE C C 15 177.786 177.786 177.851 -0.065 25124 5654 1 9 . 1 1 15 15 ILE CA C 15 60.784 60.784 62.122 -1.338 25124 5655 1 9 . 1 1 15 15 ILE CB C 15 36.016 36.016 36.458 -0.442 25124 5656 1 9 . 1 1 15 15 ILE H H 15 7.011 7.011 7.452 -0.441 25124 5657 1 9 . 1 1 16 16 ARG N N 16 116.580 116.580 118.844 -2.264 25124 5658 1 9 . 1 1 16 16 ARG HA H 16 3.711 3.711 4.158 -0.447 25124 5659 1 9 . 1 1 16 16 ARG C C 16 177.336 177.336 178.531 -1.195 25124 5660 1 9 . 1 1 16 16 ARG CA C 16 61.632 61.632 59.042 2.590 25124 5661 1 9 . 1 1 16 16 ARG CB C 16 30.520 30.520 30.172 0.348 25124 5662 1 9 . 1 1 16 16 ARG H H 16 7.370 7.370 8.638 -1.268 25124 5663 1 9 . 1 1 17 17 TRP N N 17 116.893 116.893 122.766 -5.873 25124 5664 1 9 . 1 1 17 17 TRP HA H 17 4.481 4.481 4.511 -0.030 25124 5665 1 9 . 1 1 17 17 TRP C C 17 178.394 178.394 177.472 0.922 25124 5666 1 9 . 1 1 17 17 TRP CA C 17 60.482 60.482 61.300 -0.818 25124 5667 1 9 . 1 1 17 17 TRP CB C 17 29.372 29.372 29.541 -0.169 25124 5668 1 9 . 1 1 17 17 TRP H H 17 8.020 8.020 8.011 0.009 25124 5669 1 9 . 1 1 18 18 VAL N N 18 116.799 116.799 117.631 -0.832 25124 5670 1 9 . 1 1 18 18 VAL HA H 18 3.662 3.662 2.704 0.959 25124 5671 1 9 . 1 1 18 18 VAL C C 18 179.161 179.161 177.738 1.423 25124 5672 1 9 . 1 1 18 18 VAL CA C 18 65.858 65.858 66.090 -0.232 25124 5673 1 9 . 1 1 18 18 VAL CB C 18 31.792 31.792 30.972 0.820 25124 5674 1 9 . 1 1 18 18 VAL H H 18 8.085 8.085 7.639 0.446 25124 5675 1 9 . 1 1 19 19 LEU N N 19 119.595 119.595 119.583 0.012 25124 5676 1 9 . 1 1 19 19 LEU HA H 19 4.083 4.083 3.873 0.210 25124 5677 1 9 . 1 1 19 19 LEU C C 19 177.759 177.759 178.817 -1.058 25124 5678 1 9 . 1 1 19 19 LEU CA C 19 57.971 57.971 58.212 -0.241 25124 5679 1 9 . 1 1 19 19 LEU CB C 19 41.863 41.863 40.893 0.970 25124 5680 1 9 . 1 1 19 19 LEU H H 19 8.035 8.035 7.381 0.654 25124 5681 1 9 . 1 1 20 20 GLU N N 20 120.318 120.318 118.109 2.209 25124 5682 1 9 . 1 1 20 20 GLU HA H 20 4.007 4.007 3.939 0.068 25124 5683 1 9 . 1 1 20 20 GLU C C 20 178.500 178.500 179.309 -0.809 25124 5684 1 9 . 1 1 20 20 GLU CA C 20 60.567 60.567 58.911 1.655 25124 5685 1 9 . 1 1 20 20 GLU CB C 20 29.073 29.073 29.370 -0.297 25124 5686 1 9 . 1 1 20 20 GLU H H 20 8.417 8.417 7.592 0.825 25124 5687 1 9 . 1 1 21 21 ARG N N 21 115.981 115.981 118.097 -2.116 25124 5688 1 9 . 1 1 21 21 ARG HA H 21 3.898 3.898 3.928 -0.030 25124 5689 1 9 . 1 1 21 21 ARG C C 21 179.769 179.769 177.582 2.187 25124 5690 1 9 . 1 1 21 21 ARG CA C 21 58.491 58.491 58.383 0.109 25124 5691 1 9 . 1 1 21 21 ARG CB C 21 29.966 29.966 29.666 0.300 25124 5692 1 9 . 1 1 21 21 ARG H H 21 7.579 7.579 7.938 -0.359 25124 5693 1 9 . 1 1 22 22 ALA N N 22 122.267 122.267 121.244 1.023 25124 5694 1 9 . 1 1 22 22 ALA HA H 22 4.110 4.110 4.194 -0.084 25124 5695 1 9 . 1 1 22 22 ALA C C 22 180.456 180.456 179.669 0.787 25124 5696 1 9 . 1 1 22 22 ALA CA C 22 54.643 54.643 54.254 0.389 25124 5697 1 9 . 1 1 22 22 ALA CB C 22 19.225 19.225 18.682 0.543 25124 5698 1 9 . 1 1 22 22 ALA H H 22 7.933 7.933 7.214 0.719 25124 5699 1 9 . 1 1 23 23 LEU N N 23 118.139 118.139 119.796 -1.657 25124 5700 1 9 . 1 1 23 23 LEU HA H 23 4.005 4.005 3.827 0.178 25124 5701 1 9 . 1 1 23 23 LEU C C 23 178.843 178.843 179.414 -0.571 25124 5702 1 9 . 1 1 23 23 LEU CA C 23 57.765 57.765 57.901 -0.136 25124 5703 1 9 . 1 1 23 23 LEU CB C 23 39.919 39.919 41.194 -1.275 25124 5704 1 9 . 1 1 23 23 LEU H H 23 8.855 8.855 7.739 1.116 25124 5705 1 9 . 1 1 24 24 ALA N N 24 122.164 122.164 118.949 3.215 25124 5706 1 9 . 1 1 24 24 ALA HA H 24 4.665 4.665 4.029 0.636 25124 5707 1 9 . 1 1 24 24 ALA C C 24 183.206 183.206 179.350 3.856 25124 5708 1 9 . 1 1 24 24 ALA CA C 24 54.812 54.812 54.351 0.461 25124 5709 1 9 . 1 1 24 24 ALA CB C 24 17.820 17.820 18.329 -0.509 25124 5710 1 9 . 1 1 24 24 ALA H H 24 8.238 8.238 7.864 0.374 25124 5711 1 9 . 1 1 25 25 GLY N N 25 106.903 106.903 106.104 0.799 25124 5712 1 9 . 1 1 25 25 GLY C C 25 174.375 174.375 175.199 -0.824 25124 5713 1 9 . 1 1 25 25 GLY CA C 25 46.550 46.550 45.649 0.901 25124 5714 1 9 . 1 1 25 25 GLY H H 25 7.907 7.907 7.634 0.273 25124 5715 1 9 . 1 1 26 26 ALA N N 26 121.832 121.832 122.871 -1.039 25124 5716 1 9 . 1 1 26 26 ALA HA H 26 4.505 4.505 4.636 -0.131 25124 5717 1 9 . 1 1 26 26 ALA CA C 26 51.585 51.585 51.209 0.376 25124 5718 1 9 . 1 1 26 26 ALA CB C 26 18.799 18.799 18.901 -0.102 25124 5719 1 9 . 1 1 26 26 ALA H H 26 7.316 7.316 7.851 -0.535 25124 5720 1 9 . 1 1 27 27 GLY N N 27 106.146 106.146 106.713 -0.567 25124 5721 1 9 . 1 1 27 27 GLY C C 27 174.057 174.057 174.758 -0.701 25124 5722 1 9 . 1 1 27 27 GLY CA C 27 45.333 45.333 45.444 -0.111 25124 5723 1 9 . 1 1 27 27 GLY H H 27 7.868 7.868 7.810 0.058 25124 5724 1 9 . 1 1 28 28 LEU N N 28 120.273 120.273 120.839 -0.566 25124 5725 1 9 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.249 0.326 25124 5726 1 9 . 1 1 28 28 LEU C C 28 175.988 175.988 177.047 -1.059 25124 5727 1 9 . 1 1 28 28 LEU CA C 28 53.881 53.881 54.322 -0.441 25124 5728 1 9 . 1 1 28 28 LEU CB C 28 42.540 42.540 42.088 0.452 25124 5729 1 9 . 1 1 28 28 LEU H H 28 7.659 7.659 7.616 0.043 25124 5730 1 9 . 1 1 29 29 THR N N 29 118.173 118.173 119.123 -0.950 25124 5731 1 9 . 1 1 29 29 THR HA H 29 4.346 4.346 4.181 0.165 25124 5732 1 9 . 1 1 29 29 THR C C 29 173.344 173.344 173.678 -0.334 25124 5733 1 9 . 1 1 29 29 THR CA C 29 62.598 62.598 63.982 -1.384 25124 5734 1 9 . 1 1 29 29 THR CB C 29 69.423 69.423 68.567 0.856 25124 5735 1 9 . 1 1 29 29 THR H H 29 8.562 8.562 8.242 0.320 25124 5736 1 9 . 1 1 30 30 CYS N N 30 128.450 128.450 127.731 0.719 25124 5737 1 9 . 1 1 30 30 CYS HA H 30 6.012 6.012 4.764 1.248 25124 5738 1 9 . 1 1 30 30 CYS C C 30 173.978 173.978 174.071 -0.093 25124 5739 1 9 . 1 1 30 30 CYS CA C 30 56.424 56.424 57.826 -1.402 25124 5740 1 9 . 1 1 30 30 CYS CB C 30 29.615 29.615 29.414 0.201 25124 5741 1 9 . 1 1 30 30 CYS H H 30 9.035 9.035 8.598 0.437 25124 5742 1 9 . 1 1 31 31 THR N N 31 126.377 126.377 123.418 2.959 25124 5743 1 9 . 1 1 31 31 THR HA H 31 4.442 4.442 4.468 -0.026 25124 5744 1 9 . 1 1 31 31 THR C C 31 172.683 172.683 172.811 -0.128 25124 5745 1 9 . 1 1 31 31 THR CA C 31 61.956 61.956 61.700 0.256 25124 5746 1 9 . 1 1 31 31 THR CB C 31 70.624 70.624 72.117 -1.493 25124 5747 1 9 . 1 1 31 31 THR H H 31 8.510 8.510 8.317 0.193 25124 5748 1 9 . 1 1 32 32 THR N N 32 115.988 115.988 113.753 2.235 25124 5749 1 9 . 1 1 32 32 THR HA H 32 5.454 5.454 4.835 0.619 25124 5750 1 9 . 1 1 32 32 THR C C 32 172.259 172.259 172.444 -0.185 25124 5751 1 9 . 1 1 32 32 THR CA C 32 59.101 59.101 60.559 -1.458 25124 5752 1 9 . 1 1 32 32 THR CB C 32 71.173 71.173 71.404 -0.231 25124 5753 1 9 . 1 1 32 32 THR H H 32 8.301 8.301 7.693 0.608 25124 5754 1 9 . 1 1 33 33 PHE N N 33 117.690 117.690 122.388 -4.698 25124 5755 1 9 . 1 1 33 33 PHE HA H 33 4.723 4.723 4.726 -0.003 25124 5756 1 9 . 1 1 33 33 PHE C C 33 174.507 174.507 176.290 -1.783 25124 5757 1 9 . 1 1 33 33 PHE CA C 33 56.504 56.504 58.574 -2.070 25124 5758 1 9 . 1 1 33 33 PHE CB C 33 43.589 43.589 40.336 3.253 25124 5759 1 9 . 1 1 33 33 PHE H H 33 8.834 8.834 8.691 0.143 25124 5760 1 9 . 1 1 34 34 GLU N N 34 118.296 118.296 116.027 2.269 25124 5761 1 9 . 1 1 34 34 GLU HA H 34 4.451 4.451 4.327 0.124 25124 5762 1 9 . 1 1 34 34 GLU C C 34 174.957 174.957 174.244 0.713 25124 5763 1 9 . 1 1 34 34 GLU CA C 34 56.661 56.661 57.194 -0.533 25124 5764 1 9 . 1 1 34 34 GLU CB C 34 31.792 31.792 31.233 0.559 25124 5765 1 9 . 1 1 34 34 GLU H H 34 9.096 9.096 8.474 0.622 25124 5766 1 9 . 1 1 35 35 ASN N N 35 108.486 108.486 114.532 -6.046 25124 5767 1 9 . 1 1 35 35 ASN HA H 35 4.960 4.960 5.011 -0.051 25124 5768 1 9 . 1 1 35 35 ASN C C 35 175.353 175.353 176.770 -1.417 25124 5769 1 9 . 1 1 35 35 ASN CA C 35 52.364 52.364 51.380 0.984 25124 5770 1 9 . 1 1 35 35 ASN CB C 35 40.932 40.932 40.801 0.131 25124 5771 1 9 . 1 1 35 35 ASN H H 35 7.286 7.286 7.757 -0.471 25124 5772 1 9 . 1 1 36 36 GLY N N 36 105.329 105.329 107.820 -2.491 25124 5773 1 9 . 1 1 36 36 GLY C C 36 174.586 174.586 175.683 -1.097 25124 5774 1 9 . 1 1 36 36 GLY CA C 36 47.533 47.533 47.343 0.190 25124 5775 1 9 . 1 1 36 36 GLY H H 36 9.369 9.369 8.808 0.561 25124 5776 1 9 . 1 1 37 37 ASN N N 37 120.396 120.396 118.394 2.002 25124 5777 1 9 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.346 0.016 25124 5778 1 9 . 1 1 37 37 ASN C C 37 178.791 178.791 177.371 1.420 25124 5779 1 9 . 1 1 37 37 ASN CA C 37 56.843 56.843 55.748 1.095 25124 5780 1 9 . 1 1 37 37 ASN CB C 37 37.716 37.716 37.872 -0.156 25124 5781 1 9 . 1 1 37 37 ASN H H 37 8.440 8.440 8.348 0.092 25124 5782 1 9 . 1 1 38 38 GLU N N 38 119.334 119.334 119.410 -0.076 25124 5783 1 9 . 1 1 38 38 GLU HA H 38 4.058 4.058 3.936 0.122 25124 5784 1 9 . 1 1 38 38 GLU C C 38 179.372 179.372 178.938 0.434 25124 5785 1 9 . 1 1 38 38 GLU CA C 38 58.790 58.790 59.159 -0.369 25124 5786 1 9 . 1 1 38 38 GLU CB C 38 30.692 30.692 29.737 0.955 25124 5787 1 9 . 1 1 38 38 GLU H H 38 8.063 8.063 8.249 -0.186 25124 5788 1 9 . 1 1 39 39 VAL N N 39 119.047 119.047 119.984 -0.937 25124 5789 1 9 . 1 1 39 39 VAL HA H 39 2.599 2.599 2.596 0.003 25124 5790 1 9 . 1 1 39 39 VAL C C 39 176.807 176.807 177.693 -0.886 25124 5791 1 9 . 1 1 39 39 VAL CA C 39 65.222 65.222 65.735 -0.513 25124 5792 1 9 . 1 1 39 39 VAL CB C 39 31.078 31.078 31.324 -0.246 25124 5793 1 9 . 1 1 39 39 VAL H H 39 6.844 6.844 7.378 -0.534 25124 5794 1 9 . 1 1 40 40 LEU N N 40 118.385 118.385 119.650 -1.265 25124 5795 1 9 . 1 1 40 40 LEU HA H 40 3.929 3.929 3.933 -0.004 25124 5796 1 9 . 1 1 40 40 LEU C C 40 179.584 179.584 178.885 0.699 25124 5797 1 9 . 1 1 40 40 LEU CA C 40 57.943 57.943 57.977 -0.034 25124 5798 1 9 . 1 1 40 40 LEU CB C 40 40.932 40.932 40.658 0.274 25124 5799 1 9 . 1 1 40 40 LEU H H 40 7.715 7.715 7.455 0.260 25124 5800 1 9 . 1 1 41 41 ALA N N 41 120.091 120.091 120.264 -0.173 25124 5801 1 9 . 1 1 41 41 ALA HA H 41 4.158 4.158 3.873 0.285 25124 5802 1 9 . 1 1 41 41 ALA C C 41 180.562 180.562 179.232 1.330 25124 5803 1 9 . 1 1 41 41 ALA CA C 41 54.717 54.717 54.951 -0.234 25124 5804 1 9 . 1 1 41 41 ALA CB C 41 17.853 17.853 17.825 0.028 25124 5805 1 9 . 1 1 41 41 ALA H H 41 7.671 7.671 7.773 -0.102 25124 5806 1 9 . 1 1 42 42 ALA N N 42 122.650 122.650 120.496 2.154 25124 5807 1 9 . 1 1 42 42 ALA HA H 42 4.221 4.221 4.168 0.053 25124 5808 1 9 . 1 1 42 42 ALA C C 42 180.166 180.166 179.486 0.680 25124 5809 1 9 . 1 1 42 42 ALA CA C 42 54.974 54.974 53.761 1.213 25124 5810 1 9 . 1 1 42 42 ALA CB C 42 19.488 19.488 18.329 1.159 25124 5811 1 9 . 1 1 42 42 ALA H H 42 7.573 7.573 7.147 0.426 25124 5812 1 9 . 1 1 43 43 LEU N N 43 119.321 119.321 120.416 -1.095 25124 5813 1 9 . 1 1 43 43 LEU HA H 43 5.260 5.260 4.613 0.647 25124 5814 1 9 . 1 1 43 43 LEU C C 43 177.389 177.389 179.323 -1.934 25124 5815 1 9 . 1 1 43 43 LEU CA C 43 55.446 55.446 57.976 -2.530 25124 5816 1 9 . 1 1 43 43 LEU CB C 43 42.879 42.879 42.137 0.742 25124 5817 1 9 . 1 1 43 43 LEU H H 43 8.289 8.289 8.344 -0.055 25124 5818 1 9 . 1 1 44 44 ALA N N 44 118.995 118.995 119.421 -0.426 25124 5819 1 9 . 1 1 44 44 ALA HA H 44 4.232 4.232 4.133 0.099 25124 5820 1 9 . 1 1 44 44 ALA C C 44 178.738 178.738 179.268 -0.530 25124 5821 1 9 . 1 1 44 44 ALA CA C 44 54.353 54.353 54.519 -0.166 25124 5822 1 9 . 1 1 44 44 ALA CB C 44 18.674 18.674 18.890 -0.216 25124 5823 1 9 . 1 1 44 44 ALA H H 44 7.307 7.307 7.919 -0.612 25124 5824 1 9 . 1 1 45 45 SER N N 45 108.530 108.530 112.824 -4.294 25124 5825 1 9 . 1 1 45 45 SER HA H 45 4.761 4.761 4.308 0.453 25124 5826 1 9 . 1 1 45 45 SER C C 45 173.344 173.344 175.460 -2.116 25124 5827 1 9 . 1 1 45 45 SER CA C 45 58.682 58.682 60.505 -1.823 25124 5828 1 9 . 1 1 45 45 SER CB C 45 65.446 65.446 63.861 1.585 25124 5829 1 9 . 1 1 45 45 SER H H 45 7.772 7.772 8.074 -0.302 25124 5830 1 9 . 1 1 46 46 LYS N N 46 122.965 122.965 118.656 4.309 25124 5831 1 9 . 1 1 46 46 LYS HA H 46 4.608 4.608 4.646 -0.038 25124 5832 1 9 . 1 1 46 46 LYS C C 46 172.815 172.815 174.293 -1.478 25124 5833 1 9 . 1 1 46 46 LYS CA C 46 55.601 55.601 55.246 0.355 25124 5834 1 9 . 1 1 46 46 LYS CB C 46 36.399 36.399 36.465 -0.066 25124 5835 1 9 . 1 1 46 46 LYS H H 46 8.096 8.096 8.634 -0.538 25124 5836 1 9 . 1 1 47 47 THR N N 47 111.524 111.524 114.026 -2.502 25124 5837 1 9 . 1 1 47 47 THR HA H 47 4.307 4.307 4.423 -0.116 25124 5838 1 9 . 1 1 47 47 THR CA C 47 57.896 57.896 58.437 -0.541 25124 5839 1 9 . 1 1 47 47 THR CB C 47 70.570 70.570 68.771 1.799 25124 5840 1 9 . 1 1 47 47 THR H H 47 7.708 7.708 8.164 -0.456 25124 5841 1 9 . 1 1 48 48 PRO HA H 48 3.944 3.944 3.651 0.293 25124 5842 1 9 . 1 1 48 48 PRO C C 48 173.079 173.079 175.708 -2.629 25124 5843 1 9 . 1 1 48 48 PRO CA C 48 60.922 60.922 62.035 -1.113 25124 5844 1 9 . 1 1 48 48 PRO CB C 48 30.353 30.353 32.102 -1.749 25124 5845 1 9 . 1 1 49 49 ASP N N 49 115.001 115.001 119.697 -4.696 25124 5846 1 9 . 1 1 49 49 ASP HA H 49 4.460 4.460 4.522 -0.062 25124 5847 1 9 . 1 1 49 49 ASP C C 49 175.591 175.591 176.109 -0.518 25124 5848 1 9 . 1 1 49 49 ASP CA C 49 56.504 56.504 55.772 0.732 25124 5849 1 9 . 1 1 49 49 ASP CB C 49 42.625 42.625 42.526 0.099 25124 5850 1 9 . 1 1 49 49 ASP H H 49 8.535 8.535 8.394 0.141 25124 5851 1 9 . 1 1 50 50 VAL N N 50 111.832 111.832 117.667 -5.835 25124 5852 1 9 . 1 1 50 50 VAL HA H 50 4.316 4.316 4.157 0.159 25124 5853 1 9 . 1 1 50 50 VAL C C 50 171.572 171.572 174.638 -3.066 25124 5854 1 9 . 1 1 50 50 VAL CA C 50 60.398 60.398 60.217 0.181 25124 5855 1 9 . 1 1 50 50 VAL CB C 50 34.650 34.650 32.090 2.559 25124 5856 1 9 . 1 1 50 50 VAL H H 50 7.194 7.194 7.374 -0.180 25124 5857 1 9 . 1 1 51 51 LEU N N 51 127.785 127.785 125.830 1.955 25124 5858 1 9 . 1 1 51 51 LEU HA H 51 5.376 5.376 4.893 0.483 25124 5859 1 9 . 1 1 51 51 LEU C C 51 173.264 173.264 175.559 -2.295 25124 5860 1 9 . 1 1 51 51 LEU CA C 51 53.137 53.137 54.208 -1.071 25124 5861 1 9 . 1 1 51 51 LEU CB C 51 46.680 46.680 44.280 2.400 25124 5862 1 9 . 1 1 51 51 LEU H H 51 8.049 8.049 8.304 -0.255 25124 5863 1 9 . 1 1 52 52 LEU N N 52 128.943 128.943 126.021 2.922 25124 5864 1 9 . 1 1 52 52 LEU HA H 52 5.312 5.312 5.063 0.249 25124 5865 1 9 . 1 1 52 52 LEU C C 52 174.692 174.692 176.805 -2.113 25124 5866 1 9 . 1 1 52 52 LEU CA C 52 54.313 54.313 53.382 0.931 25124 5867 1 9 . 1 1 52 52 LEU CB C 52 43.961 43.961 41.067 2.894 25124 5868 1 9 . 1 1 52 52 LEU H H 52 9.278 9.278 7.992 1.286 25124 5869 1 9 . 1 1 53 53 SER N N 53 116.717 116.717 118.965 -2.248 25124 5870 1 9 . 1 1 53 53 SER HA H 53 5.395 5.395 4.251 1.144 25124 5871 1 9 . 1 1 53 53 SER C C 53 173.608 173.608 173.281 0.327 25124 5872 1 9 . 1 1 53 53 SER CA C 53 56.226 56.226 59.498 -3.272 25124 5873 1 9 . 1 1 53 53 SER CB C 53 65.753 65.753 64.301 1.452 25124 5874 1 9 . 1 1 53 53 SER H H 53 9.256 9.256 7.848 1.408 25124 5875 1 9 . 1 1 54 54 ASP N N 54 127.909 127.909 126.272 1.637 25124 5876 1 9 . 1 1 54 54 ASP HA H 54 5.622 5.622 5.521 0.101 25124 5877 1 9 . 1 1 54 54 ASP C C 54 175.723 175.723 175.831 -0.108 25124 5878 1 9 . 1 1 54 54 ASP CA C 54 53.268 53.268 52.828 0.441 25124 5879 1 9 . 1 1 54 54 ASP CB C 54 44.386 44.386 43.611 0.775 25124 5880 1 9 . 1 1 54 54 ASP H H 54 8.219 8.219 8.676 -0.457 25124 5881 1 9 . 1 1 55 55 ILE N N 55 117.015 117.015 119.388 -2.373 25124 5882 1 9 . 1 1 55 55 ILE HA H 55 4.116 4.116 4.534 -0.418 25124 5883 1 9 . 1 1 55 55 ILE C C 55 176.913 176.913 174.602 2.311 25124 5884 1 9 . 1 1 55 55 ILE CA C 55 65.290 65.290 59.063 6.227 25124 5885 1 9 . 1 1 55 55 ILE CB C 55 38.487 38.487 36.188 2.299 25124 5886 1 9 . 1 1 55 55 ILE H H 55 7.812 7.812 8.243 -0.431 25124 5887 1 9 . 1 1 56 56 ARG N N 56 117.365 117.365 121.621 -4.256 25124 5888 1 9 . 1 1 56 56 ARG HA H 56 4.379 4.379 4.454 -0.075 25124 5889 1 9 . 1 1 56 56 ARG C C 56 172.788 172.788 174.023 -1.235 25124 5890 1 9 . 1 1 56 56 ARG CA C 56 57.034 57.034 56.386 0.648 25124 5891 1 9 . 1 1 56 56 ARG CB C 56 27.600 27.600 30.281 -2.681 25124 5892 1 9 . 1 1 56 56 ARG H H 56 8.991 8.991 7.940 1.051 25124 5893 1 9 . 1 1 57 57 MET N N 57 129.539 129.539 116.814 12.725 25124 5894 1 9 . 1 1 57 57 MET HA H 57 4.767 4.767 5.083 -0.316 25124 5895 1 9 . 1 1 57 57 MET CA C 57 53.641 53.641 53.088 0.553 25124 5896 1 9 . 1 1 57 57 MET CB C 57 36.484 36.484 34.023 2.461 25124 5897 1 9 . 1 1 57 57 MET H H 57 7.501 7.501 7.668 -0.167 25124 5898 1 9 . 1 1 58 58 PRO HA H 58 4.379 4.379 4.522 -0.143 25124 5899 1 9 . 1 1 58 58 PRO C C 58 177.495 177.495 175.584 1.911 25124 5900 1 9 . 1 1 58 58 PRO CA C 58 63.104 63.104 63.510 -0.406 25124 5901 1 9 . 1 1 58 58 PRO CB C 58 31.922 31.922 30.040 1.883 25124 5902 1 9 . 1 1 59 59 GLY N N 59 112.312 112.312 110.168 2.144 25124 5903 1 9 . 1 1 59 59 GLY C C 59 173.793 173.793 173.215 0.578 25124 5904 1 9 . 1 1 59 59 GLY CA C 59 46.430 46.430 45.718 0.712 25124 5905 1 9 . 1 1 59 59 GLY H H 59 8.656 8.656 8.666 -0.010 25124 5906 1 9 . 1 1 60 60 MET N N 60 124.343 124.343 119.383 4.960 25124 5907 1 9 . 1 1 60 60 MET HA H 60 4.344 4.344 4.578 -0.234 25124 5908 1 9 . 1 1 60 60 MET C C 60 174.190 174.190 174.344 -0.154 25124 5909 1 9 . 1 1 60 60 MET CA C 60 55.871 55.871 56.367 -0.496 25124 5910 1 9 . 1 1 60 60 MET CB C 60 34.955 34.955 33.629 1.326 25124 5911 1 9 . 1 1 60 60 MET H H 60 7.778 7.778 8.200 -0.422 25124 5912 1 9 . 1 1 61 61 ASP N N 61 124.993 124.993 116.145 8.848 25124 5913 1 9 . 1 1 61 61 ASP HA H 61 4.870 4.870 4.716 0.154 25124 5914 1 9 . 1 1 61 61 ASP C C 61 176.966 176.966 175.100 1.866 25124 5915 1 9 . 1 1 61 61 ASP CA C 61 53.490 53.490 53.611 -0.121 25124 5916 1 9 . 1 1 61 61 ASP CB C 61 42.347 42.347 41.819 0.528 25124 5917 1 9 . 1 1 61 61 ASP H H 61 8.378 8.378 7.558 0.820 25124 5918 1 9 . 1 1 62 62 GLY N N 62 105.163 105.163 105.803 -0.640 25124 5919 1 9 . 1 1 62 62 GLY C C 62 175.935 175.935 175.703 0.232 25124 5920 1 9 . 1 1 62 62 GLY CA C 62 46.755 46.755 45.103 1.652 25124 5921 1 9 . 1 1 62 62 GLY H H 62 10.153 10.153 8.610 1.543 25124 5922 1 9 . 1 1 63 63 LEU N N 63 120.509 120.509 122.350 -1.841 25124 5923 1 9 . 1 1 63 63 LEU HA H 63 4.293 4.293 3.976 0.317 25124 5924 1 9 . 1 1 63 63 LEU C C 63 179.293 179.293 178.275 1.018 25124 5925 1 9 . 1 1 63 63 LEU CA C 63 57.148 57.148 57.868 -0.720 25124 5926 1 9 . 1 1 63 63 LEU CB C 63 40.053 40.053 41.819 -1.766 25124 5927 1 9 . 1 1 63 63 LEU H H 63 8.119 8.119 8.062 0.057 25124 5928 1 9 . 1 1 64 64 ALA N N 64 126.234 126.234 120.696 5.538 25124 5929 1 9 . 1 1 64 64 ALA HA H 64 4.112 4.112 4.061 0.051 25124 5930 1 9 . 1 1 64 64 ALA C C 64 181.223 181.223 178.820 2.403 25124 5931 1 9 . 1 1 64 64 ALA CA C 64 54.802 54.802 54.753 0.049 25124 5932 1 9 . 1 1 64 64 ALA CB C 64 18.133 18.133 18.165 -0.032 25124 5933 1 9 . 1 1 64 64 ALA H H 64 8.303 8.303 7.748 0.555 25124 5934 1 9 . 1 1 65 65 LEU N N 65 120.067 120.067 118.344 1.723 25124 5935 1 9 . 1 1 65 65 LEU HA H 65 4.044 4.044 4.230 -0.186 25124 5936 1 9 . 1 1 65 65 LEU C C 65 177.548 177.548 178.254 -0.706 25124 5937 1 9 . 1 1 65 65 LEU CA C 65 58.197 58.197 57.230 0.967 25124 5938 1 9 . 1 1 65 65 LEU CB C 65 41.727 41.727 42.641 -0.914 25124 5939 1 9 . 1 1 65 65 LEU H H 65 8.398 8.398 7.136 1.262 25124 5940 1 9 . 1 1 66 66 LEU N N 66 120.890 120.890 120.130 0.760 25124 5941 1 9 . 1 1 66 66 LEU HA H 66 3.848 3.848 4.033 -0.185 25124 5942 1 9 . 1 1 66 66 LEU C C 66 177.230 177.230 178.601 -1.371 25124 5943 1 9 . 1 1 66 66 LEU CA C 66 58.736 58.736 57.330 1.407 25124 5944 1 9 . 1 1 66 66 LEU CB C 66 41.803 41.803 41.732 0.071 25124 5945 1 9 . 1 1 66 66 LEU H H 66 8.203 8.203 8.118 0.085 25124 5946 1 9 . 1 1 67 67 LYS N N 67 116.919 116.919 118.053 -1.134 25124 5947 1 9 . 1 1 67 67 LYS HA H 67 4.004 4.004 4.004 -0.000 25124 5948 1 9 . 1 1 67 67 LYS C C 67 179.452 179.452 178.567 0.885 25124 5949 1 9 . 1 1 67 67 LYS CA C 67 59.733 59.733 58.774 0.959 25124 5950 1 9 . 1 1 67 67 LYS CB C 67 32.415 32.415 32.209 0.206 25124 5951 1 9 . 1 1 67 67 LYS H H 67 7.667 7.667 8.423 -0.756 25124 5952 1 9 . 1 1 68 68 GLN N N 68 116.851 116.851 119.105 -2.254 25124 5953 1 9 . 1 1 68 68 GLN HA H 68 4.046 4.046 4.073 -0.027 25124 5954 1 9 . 1 1 68 68 GLN C C 68 179.319 179.319 178.204 1.115 25124 5955 1 9 . 1 1 68 68 GLN CA C 68 58.820 58.820 58.824 -0.004 25124 5956 1 9 . 1 1 68 68 GLN CB C 68 28.660 28.660 29.288 -0.628 25124 5957 1 9 . 1 1 68 68 GLN H H 68 7.677 7.677 7.431 0.246 25124 5958 1 9 . 1 1 69 69 ILE N N 69 120.670 120.670 116.008 4.662 25124 5959 1 9 . 1 1 69 69 ILE HA H 69 3.564 3.564 3.623 -0.059 25124 5960 1 9 . 1 1 69 69 ILE C C 69 177.786 177.786 178.248 -0.462 25124 5961 1 9 . 1 1 69 69 ILE CA C 69 65.381 65.381 64.173 1.208 25124 5962 1 9 . 1 1 69 69 ILE CB C 69 37.186 37.186 37.289 -0.103 25124 5963 1 9 . 1 1 69 69 ILE H H 69 8.918 8.918 7.516 1.402 25124 5964 1 9 . 1 1 70 70 LYS N N 70 118.002 118.002 119.495 -1.493 25124 5965 1 9 . 1 1 70 70 LYS HA H 70 3.936 3.936 4.035 -0.099 25124 5966 1 9 . 1 1 70 70 LYS C C 70 177.944 177.944 178.036 -0.092 25124 5967 1 9 . 1 1 70 70 LYS CA C 70 57.351 57.351 58.707 -1.356 25124 5968 1 9 . 1 1 70 70 LYS CB C 70 31.440 31.440 32.137 -0.697 25124 5969 1 9 . 1 1 70 70 LYS H H 70 8.592 8.592 7.566 1.026 25124 5970 1 9 . 1 1 71 71 GLN N N 71 114.891 114.891 115.497 -0.606 25124 5971 1 9 . 1 1 71 71 GLN HA H 71 4.063 4.063 4.197 -0.134 25124 5972 1 9 . 1 1 71 71 GLN C C 71 177.019 177.019 177.580 -0.561 25124 5973 1 9 . 1 1 71 71 GLN CA C 71 58.007 58.007 56.986 1.021 25124 5974 1 9 . 1 1 71 71 GLN CB C 71 29.168 29.168 29.479 -0.311 25124 5975 1 9 . 1 1 71 71 GLN H H 71 7.266 7.266 7.619 -0.353 25124 5976 1 9 . 1 1 72 72 ARG N N 72 116.364 116.364 118.916 -2.552 25124 5977 1 9 . 1 1 72 72 ARG HA H 72 4.130 4.130 4.106 0.024 25124 5978 1 9 . 1 1 72 72 ARG C C 72 175.803 175.803 176.280 -0.477 25124 5979 1 9 . 1 1 72 72 ARG CA C 72 57.174 57.174 57.789 -0.616 25124 5980 1 9 . 1 1 72 72 ARG CB C 72 32.638 32.638 31.381 1.257 25124 5981 1 9 . 1 1 72 72 ARG H H 72 7.254 7.254 8.188 -0.934 25124 5982 1 9 . 1 1 73 73 HIS N N 73 116.981 116.981 113.305 3.676 25124 5983 1 9 . 1 1 73 73 HIS HA H 73 4.994 4.994 4.974 0.020 25124 5984 1 9 . 1 1 73 73 HIS CA C 73 53.252 53.252 53.204 0.048 25124 5985 1 9 . 1 1 73 73 HIS CB C 73 31.026 31.026 29.973 1.053 25124 5986 1 9 . 1 1 73 73 HIS H H 73 8.828 8.828 7.417 1.411 25124 5987 1 9 . 1 1 74 74 PRO HA H 74 4.435 4.435 4.385 0.050 25124 5988 1 9 . 1 1 74 74 PRO C C 74 178.156 178.156 176.812 1.344 25124 5989 1 9 . 1 1 74 74 PRO CA C 74 65.284 65.284 64.057 1.227 25124 5990 1 9 . 1 1 74 74 PRO CB C 74 32.130 32.130 31.733 0.397 25124 5991 1 9 . 1 1 75 75 MET N N 75 114.676 114.676 116.628 -1.952 25124 5992 1 9 . 1 1 75 75 MET HA H 75 4.587 4.587 4.295 0.292 25124 5993 1 9 . 1 1 75 75 MET C C 75 176.067 176.067 175.568 0.499 25124 5994 1 9 . 1 1 75 75 MET CA C 75 54.304 54.304 56.386 -2.082 25124 5995 1 9 . 1 1 75 75 MET CB C 75 31.623 31.623 32.896 -1.273 25124 5996 1 9 . 1 1 75 75 MET H H 75 8.648 8.648 7.882 0.766 25124 5997 1 9 . 1 1 76 76 LEU N N 76 125.720 125.720 117.212 8.508 25124 5998 1 9 . 1 1 76 76 LEU HA H 76 4.293 4.293 4.404 -0.111 25124 5999 1 9 . 1 1 76 76 LEU CA C 76 53.472 53.472 51.794 1.677 25124 6000 1 9 . 1 1 76 76 LEU CB C 76 43.540 43.540 41.958 1.582 25124 6001 1 9 . 1 1 76 76 LEU H H 76 7.342 7.342 7.322 0.020 25124 6002 1 9 . 1 1 77 77 PRO HA H 77 4.440 4.440 4.499 -0.059 25124 6003 1 9 . 1 1 77 77 PRO C C 77 175.062 175.062 175.731 -0.669 25124 6004 1 9 . 1 1 77 77 PRO CA C 77 62.841 62.841 62.540 0.301 25124 6005 1 9 . 1 1 77 77 PRO CB C 77 31.903 31.903 32.510 -0.607 25124 6006 1 9 . 1 1 78 78 VAL N N 78 123.116 123.116 118.101 5.015 25124 6007 1 9 . 1 1 78 78 VAL HA H 78 5.093 5.093 4.353 0.740 25124 6008 1 9 . 1 1 78 78 VAL C C 78 175.776 175.776 174.461 1.315 25124 6009 1 9 . 1 1 78 78 VAL CA C 78 60.083 60.083 61.538 -1.455 25124 6010 1 9 . 1 1 78 78 VAL CB C 78 34.245 34.245 35.986 -1.741 25124 6011 1 9 . 1 1 78 78 VAL H H 78 8.369 8.369 8.272 0.097 25124 6012 1 9 . 1 1 79 79 ILE N N 79 129.166 129.166 122.196 6.970 25124 6013 1 9 . 1 1 79 79 ILE HA H 79 4.499 4.499 4.645 -0.146 25124 6014 1 9 . 1 1 79 79 ILE C C 79 174.295 174.295 175.002 -0.707 25124 6015 1 9 . 1 1 79 79 ILE CA C 79 60.030 60.030 59.847 0.183 25124 6016 1 9 . 1 1 79 79 ILE CB C 79 40.222 40.222 41.767 -1.544 25124 6017 1 9 . 1 1 79 79 ILE H H 79 9.436 9.436 8.004 1.432 25124 6018 1 9 . 1 1 80 80 ILE N N 80 128.234 128.234 125.460 2.774 25124 6019 1 9 . 1 1 80 80 ILE HA H 80 5.253 5.253 4.386 0.867 25124 6020 1 9 . 1 1 80 80 ILE C C 80 173.449 173.449 174.341 -0.892 25124 6021 1 9 . 1 1 80 80 ILE CA C 80 56.265 56.265 59.963 -3.698 25124 6022 1 9 . 1 1 80 80 ILE CB C 80 38.176 38.176 37.771 0.405 25124 6023 1 9 . 1 1 80 80 ILE H H 80 7.920 7.920 8.241 -0.321 25124 6024 1 9 . 1 1 81 81 MET N N 81 124.079 124.079 128.637 -4.558 25124 6025 1 9 . 1 1 81 81 MET HA H 81 5.489 5.489 4.739 0.750 25124 6026 1 9 . 1 1 81 81 MET C C 81 173.820 173.820 173.815 0.005 25124 6027 1 9 . 1 1 81 81 MET CA C 81 52.889 52.889 54.685 -1.796 25124 6028 1 9 . 1 1 81 81 MET CB C 81 36.663 36.663 35.038 1.625 25124 6029 1 9 . 1 1 81 81 MET H H 81 9.028 9.028 8.811 0.217 25124 6030 1 9 . 1 1 82 82 THR N N 82 108.434 108.434 118.021 -9.587 25124 6031 1 9 . 1 1 82 82 THR HA H 82 5.134 5.134 4.509 0.625 25124 6032 1 9 . 1 1 82 82 THR C C 82 172.550 172.550 172.267 0.283 25124 6033 1 9 . 1 1 82 82 THR CA C 82 60.642 60.642 61.284 -0.642 25124 6034 1 9 . 1 1 82 82 THR CB C 82 68.843 68.843 71.057 -2.214 25124 6035 1 9 . 1 1 82 82 THR H H 82 7.098 7.098 8.130 -1.032 25124 6036 1 9 . 1 1 83 83 ALA N N 83 128.991 128.991 122.220 6.771 25124 6037 1 9 . 1 1 83 83 ALA HA H 83 4.678 4.678 4.819 -0.141 25124 6038 1 9 . 1 1 83 83 ALA C C 83 177.812 177.812 177.176 0.636 25124 6039 1 9 . 1 1 83 83 ALA CA C 83 52.457 52.457 50.710 1.747 25124 6040 1 9 . 1 1 83 83 ALA CB C 83 19.396 19.396 20.840 -1.444 25124 6041 1 9 . 1 1 83 83 ALA H H 83 8.590 8.590 8.132 0.458 25124 6042 1 9 . 1 1 84 84 HIS N N 84 121.904 121.904 114.008 7.896 25124 6043 1 9 . 1 1 84 84 HIS HA H 84 4.576 4.576 4.308 0.268 25124 6044 1 9 . 1 1 84 84 HIS C C 84 175.512 175.512 176.331 -0.819 25124 6045 1 9 . 1 1 84 84 HIS CA C 84 56.674 56.674 58.098 -1.424 25124 6046 1 9 . 1 1 84 84 HIS CB C 84 29.589 29.589 29.671 -0.082 25124 6047 1 9 . 1 1 84 84 HIS H H 84 8.865 8.865 8.819 0.046 25124 6048 1 9 . 1 1 85 85 SER N N 85 114.679 114.679 115.294 -0.615 25124 6049 1 9 . 1 1 85 85 SER HA H 85 4.303 4.303 3.968 0.335 25124 6050 1 9 . 1 1 85 85 SER C C 85 174.560 174.560 174.012 0.548 25124 6051 1 9 . 1 1 85 85 SER CA C 85 58.970 58.970 59.267 -0.296 25124 6052 1 9 . 1 1 85 85 SER CB C 85 62.829 62.829 63.139 -0.310 25124 6053 1 9 . 1 1 85 85 SER H H 85 8.016 8.016 7.543 0.473 25124 6054 1 9 . 1 1 86 86 ASP N N 86 122.325 122.325 123.985 -1.660 25124 6055 1 9 . 1 1 86 86 ASP HA H 86 4.761 4.761 4.290 0.471 25124 6056 1 9 . 1 1 86 86 ASP C C 86 176.094 176.094 176.988 -0.894 25124 6057 1 9 . 1 1 86 86 ASP CA C 86 53.627 53.627 56.159 -2.532 25124 6058 1 9 . 1 1 86 86 ASP CB C 86 40.942 40.942 40.152 0.790 25124 6059 1 9 . 1 1 86 86 ASP H H 86 8.054 8.054 8.792 -0.738 25124 6060 1 9 . 1 1 87 87 LEU N N 87 122.041 122.041 119.586 2.455 25124 6061 1 9 . 1 1 87 87 LEU HA H 87 4.069 4.069 3.994 0.075 25124 6062 1 9 . 1 1 87 87 LEU C C 87 177.892 177.892 177.596 0.296 25124 6063 1 9 . 1 1 87 87 LEU CA C 87 57.182 57.182 57.144 0.038 25124 6064 1 9 . 1 1 87 87 LEU CB C 87 42.015 42.015 41.819 0.196 25124 6065 1 9 . 1 1 87 87 LEU H H 87 8.005 8.005 7.453 0.552 25124 6066 1 9 . 1 1 88 88 ASP N N 88 118.050 118.050 120.443 -2.393 25124 6067 1 9 . 1 1 88 88 ASP HA H 88 4.370 4.370 4.248 0.122 25124 6068 1 9 . 1 1 88 88 ASP C C 88 178.103 178.103 177.956 0.147 25124 6069 1 9 . 1 1 88 88 ASP CA C 88 56.342 56.342 57.456 -1.114 25124 6070 1 9 . 1 1 88 88 ASP CB C 88 40.280 40.280 40.108 0.172 25124 6071 1 9 . 1 1 88 88 ASP H H 88 8.243 8.243 8.527 -0.284 25124 6072 1 9 . 1 1 89 89 ALA N N 89 122.780 122.780 121.578 1.202 25124 6073 1 9 . 1 1 89 89 ALA HA H 89 4.038 4.038 4.072 -0.034 25124 6074 1 9 . 1 1 89 89 ALA C C 89 178.526 178.526 178.959 -0.433 25124 6075 1 9 . 1 1 89 89 ALA CA C 89 54.655 54.655 54.452 0.203 25124 6076 1 9 . 1 1 89 89 ALA CB C 89 18.809 18.809 18.187 0.622 25124 6077 1 9 . 1 1 89 89 ALA H H 89 7.890 7.890 7.709 0.181 25124 6078 1 9 . 1 1 90 90 ALA N N 90 120.040 120.040 120.706 -0.666 25124 6079 1 9 . 1 1 90 90 ALA HA H 90 3.254 3.254 3.693 -0.439 25124 6080 1 9 . 1 1 90 90 ALA C C 90 178.976 178.976 178.899 0.077 25124 6081 1 9 . 1 1 90 90 ALA CA C 90 55.050 55.050 54.588 0.462 25124 6082 1 9 . 1 1 90 90 ALA CB C 90 17.725 17.725 18.264 -0.539 25124 6083 1 9 . 1 1 90 90 ALA H H 90 7.513 7.513 7.813 -0.300 25124 6084 1 9 . 1 1 91 91 VAL N N 91 116.635 116.635 117.850 -1.215 25124 6085 1 9 . 1 1 91 91 VAL HA H 91 3.637 3.637 3.903 -0.266 25124 6086 1 9 . 1 1 91 91 VAL C C 91 178.632 178.632 178.033 0.599 25124 6087 1 9 . 1 1 91 91 VAL CA C 91 65.971 65.971 64.309 1.662 25124 6088 1 9 . 1 1 91 91 VAL CB C 91 31.623 31.623 31.106 0.517 25124 6089 1 9 . 1 1 91 91 VAL H H 91 7.877 7.877 7.532 0.345 25124 6090 1 9 . 1 1 92 92 SER N N 92 115.439 115.439 116.147 -0.708 25124 6091 1 9 . 1 1 92 92 SER HA H 92 4.215 4.215 4.039 0.176 25124 6092 1 9 . 1 1 92 92 SER C C 92 175.961 175.961 176.568 -0.607 25124 6093 1 9 . 1 1 92 92 SER CA C 92 61.401 61.401 62.071 -0.670 25124 6094 1 9 . 1 1 92 92 SER CB C 92 62.966 62.966 62.890 0.076 25124 6095 1 9 . 1 1 92 92 SER H H 92 7.912 7.912 7.575 0.337 25124 6096 1 9 . 1 1 93 93 ALA N N 93 122.647 122.647 123.174 -0.527 25124 6097 1 9 . 1 1 93 93 ALA HA H 93 3.786 3.786 4.011 -0.225 25124 6098 1 9 . 1 1 93 93 ALA C C 93 179.293 179.293 179.715 -0.422 25124 6099 1 9 . 1 1 93 93 ALA CA C 93 55.172 55.172 54.858 0.314 25124 6100 1 9 . 1 1 93 93 ALA CB C 93 17.161 17.161 18.022 -0.861 25124 6101 1 9 . 1 1 93 93 ALA H H 93 8.199 8.199 8.194 0.005 25124 6102 1 9 . 1 1 94 94 TYR N N 94 117.796 117.796 117.972 -0.176 25124 6103 1 9 . 1 1 94 94 TYR HA H 94 4.283 4.283 4.136 0.147 25124 6104 1 9 . 1 1 94 94 TYR C C 94 179.954 179.954 178.244 1.710 25124 6105 1 9 . 1 1 94 94 TYR CA C 94 61.216 61.216 60.380 0.836 25124 6106 1 9 . 1 1 94 94 TYR CB C 94 37.716 37.716 37.538 0.178 25124 6107 1 9 . 1 1 94 94 TYR H H 94 8.065 8.065 7.497 0.568 25124 6108 1 9 . 1 1 95 95 GLN N N 95 120.057 120.057 116.215 3.842 25124 6109 1 9 . 1 1 95 95 GLN HA H 95 4.005 4.005 4.091 -0.086 25124 6110 1 9 . 1 1 95 95 GLN C C 95 177.680 177.680 177.424 0.256 25124 6111 1 9 . 1 1 95 95 GLN CA C 95 58.471 58.471 58.046 0.425 25124 6112 1 9 . 1 1 95 95 GLN CB C 95 28.334 28.334 28.016 0.318 25124 6113 1 9 . 1 1 95 95 GLN H H 95 8.513 8.513 8.001 0.512 25124 6114 1 9 . 1 1 96 96 GLN N N 96 115.323 115.323 116.676 -1.353 25124 6115 1 9 . 1 1 96 96 GLN HA H 96 4.321 4.321 4.348 -0.027 25124 6116 1 9 . 1 1 96 96 GLN C C 96 175.538 175.538 175.783 -0.245 25124 6117 1 9 . 1 1 96 96 GLN CA C 96 55.379 55.379 56.076 -0.697 25124 6118 1 9 . 1 1 96 96 GLN CB C 96 28.915 28.915 29.899 -0.984 25124 6119 1 9 . 1 1 96 96 GLN H H 96 7.774 7.774 7.635 0.139 25124 6120 1 9 . 1 1 97 97 GLY N N 97 104.173 104.173 104.769 -0.596 25124 6121 1 9 . 1 1 97 97 GLY C C 97 175.168 175.168 173.914 1.254 25124 6122 1 9 . 1 1 97 97 GLY CA C 97 45.491 45.491 44.526 0.965 25124 6123 1 9 . 1 1 97 97 GLY H H 97 7.576 7.576 7.325 0.251 25124 6124 1 9 . 1 1 98 98 ALA N N 98 123.484 123.484 121.646 1.838 25124 6125 1 9 . 1 1 98 98 ALA HA H 98 4.266 4.266 4.254 0.012 25124 6126 1 9 . 1 1 98 98 ALA C C 98 176.067 176.067 176.628 -0.561 25124 6127 1 9 . 1 1 98 98 ALA CA C 98 53.008 53.008 52.842 0.166 25124 6128 1 9 . 1 1 98 98 ALA CB C 98 18.556 18.556 19.697 -1.141 25124 6129 1 9 . 1 1 98 98 ALA H H 98 8.358 8.358 7.772 0.586 25124 6130 1 9 . 1 1 99 99 PHE N N 99 123.551 123.551 120.611 2.940 25124 6131 1 9 . 1 1 99 99 PHE HA H 99 4.259 4.259 4.672 -0.413 25124 6132 1 9 . 1 1 99 99 PHE C C 99 175.432 175.432 175.544 -0.112 25124 6133 1 9 . 1 1 99 99 PHE CA C 99 60.274 60.274 59.350 0.924 25124 6134 1 9 . 1 1 99 99 PHE CB C 99 40.375 40.375 41.602 -1.228 25124 6135 1 9 . 1 1 99 99 PHE H H 99 9.477 9.477 8.349 1.128 25124 6136 1 9 . 1 1 100 100 ASP N N 100 110.678 110.678 115.017 -4.339 25124 6137 1 9 . 1 1 100 100 ASP HA H 100 4.547 4.547 4.913 -0.366 25124 6138 1 9 . 1 1 100 100 ASP C C 100 173.053 173.053 173.687 -0.634 25124 6139 1 9 . 1 1 100 100 ASP CA C 100 52.527 52.527 54.008 -1.481 25124 6140 1 9 . 1 1 100 100 ASP CB C 100 44.789 44.789 42.964 1.825 25124 6141 1 9 . 1 1 100 100 ASP H H 100 7.683 7.683 8.137 -0.454 25124 6142 1 9 . 1 1 101 101 TYR N N 101 122.174 122.174 121.550 0.624 25124 6143 1 9 . 1 1 101 101 TYR HA H 101 5.425 5.425 5.174 0.251 25124 6144 1 9 . 1 1 101 101 TYR C C 101 172.550 172.550 174.411 -1.861 25124 6145 1 9 . 1 1 101 101 TYR CA C 101 55.865 55.865 56.597 -0.732 25124 6146 1 9 . 1 1 101 101 TYR CB C 101 41.760 41.760 39.349 2.411 25124 6147 1 9 . 1 1 101 101 TYR H H 101 9.874 9.874 8.724 1.150 25124 6148 1 9 . 1 1 102 102 LEU N N 102 129.337 129.337 129.808 -0.471 25124 6149 1 9 . 1 1 102 102 LEU HA H 102 4.677 4.677 4.628 0.049 25124 6150 1 9 . 1 1 102 102 LEU CA C 102 50.418 50.418 50.749 -0.331 25124 6151 1 9 . 1 1 102 102 LEU CB C 102 45.066 45.066 43.659 1.407 25124 6152 1 9 . 1 1 102 102 LEU H H 102 8.974 8.974 7.989 0.985 25124 6153 1 9 . 1 1 103 103 PRO HA H 103 4.552 4.552 4.405 0.147 25124 6154 1 9 . 1 1 103 103 PRO C C 103 176.067 176.067 175.731 0.336 25124 6155 1 9 . 1 1 103 103 PRO CA C 103 61.951 61.951 62.267 -0.316 25124 6156 1 9 . 1 1 103 103 PRO CB C 103 31.829 31.829 32.346 -0.517 25124 6157 1 9 . 1 1 104 104 LYS N N 104 118.403 118.403 119.561 -1.158 25124 6158 1 9 . 1 1 104 104 LYS HA H 104 4.459 4.459 5.071 -0.612 25124 6159 1 9 . 1 1 104 104 LYS CA C 104 53.204 53.204 53.318 -0.114 25124 6160 1 9 . 1 1 104 104 LYS CB C 104 34.500 34.500 32.257 2.243 25124 6161 1 9 . 1 1 104 104 LYS H H 104 8.013 8.013 8.134 -0.121 25124 6162 1 9 . 1 1 105 105 PRO HA H 105 4.258 4.258 4.514 -0.256 25124 6163 1 9 . 1 1 105 105 PRO C C 105 174.930 174.930 175.991 -1.061 25124 6164 1 9 . 1 1 105 105 PRO CA C 105 62.213 62.213 63.126 -0.913 25124 6165 1 9 . 1 1 105 105 PRO CB C 105 34.151 34.151 32.021 2.130 25124 6166 1 9 . 1 1 106 106 PHE N N 106 116.796 116.796 118.662 -1.866 25124 6167 1 9 . 1 1 106 106 PHE HA H 106 5.169 5.169 4.771 0.398 25124 6168 1 9 . 1 1 106 106 PHE C C 106 175.194 175.194 174.251 0.943 25124 6169 1 9 . 1 1 106 106 PHE CA C 106 53.244 53.244 55.418 -2.174 25124 6170 1 9 . 1 1 106 106 PHE CB C 106 40.477 40.477 40.854 -0.377 25124 6171 1 9 . 1 1 106 106 PHE H H 106 7.399 7.399 7.486 -0.087 25124 6172 1 9 . 1 1 107 107 ASP N N 107 122.212 122.212 122.427 -0.215 25124 6173 1 9 . 1 1 107 107 ASP HA H 107 4.823 4.823 4.938 -0.115 25124 6174 1 9 . 1 1 107 107 ASP C C 107 177.812 177.812 177.284 0.528 25124 6175 1 9 . 1 1 107 107 ASP CA C 107 53.392 53.392 53.682 -0.291 25124 6176 1 9 . 1 1 107 107 ASP CB C 107 42.455 42.455 41.746 0.709 25124 6177 1 9 . 1 1 107 107 ASP H H 107 9.047 9.047 8.676 0.371 25124 6178 1 9 . 1 1 108 108 ILE N N 108 127.963 127.963 122.517 5.446 25124 6179 1 9 . 1 1 108 108 ILE HA H 108 3.949 3.949 3.998 -0.049 25124 6180 1 9 . 1 1 108 108 ILE C C 108 176.226 176.226 176.809 -0.583 25124 6181 1 9 . 1 1 108 108 ILE CA C 108 63.105 63.105 64.148 -1.043 25124 6182 1 9 . 1 1 108 108 ILE CB C 108 37.665 37.665 37.532 0.133 25124 6183 1 9 . 1 1 108 108 ILE H H 108 8.898 8.898 8.485 0.413 25124 6184 1 9 . 1 1 109 109 ASP N N 109 119.804 119.804 121.073 -1.269 25124 6185 1 9 . 1 1 109 109 ASP HA H 109 4.393 4.393 4.298 0.095 25124 6186 1 9 . 1 1 109 109 ASP C C 109 179.848 179.848 178.515 1.333 25124 6187 1 9 . 1 1 109 109 ASP CA C 109 57.483 57.483 58.579 -1.096 25124 6188 1 9 . 1 1 109 109 ASP CB C 109 39.986 39.986 40.494 -0.508 25124 6189 1 9 . 1 1 109 109 ASP H H 109 8.098 8.098 8.578 -0.480 25124 6190 1 9 . 1 1 110 110 GLU N N 110 121.667 121.667 118.886 2.781 25124 6191 1 9 . 1 1 110 110 GLU HA H 110 4.085 4.085 4.301 -0.216 25124 6192 1 9 . 1 1 110 110 GLU C C 110 178.976 178.976 178.077 0.899 25124 6193 1 9 . 1 1 110 110 GLU CA C 110 58.790 58.790 58.176 0.614 25124 6194 1 9 . 1 1 110 110 GLU CB C 110 29.330 29.330 29.933 -0.603 25124 6195 1 9 . 1 1 110 110 GLU H H 110 8.059 8.059 8.042 0.017 25124 6196 1 9 . 1 1 111 111 ALA N N 111 122.208 122.208 123.143 -0.935 25124 6197 1 9 . 1 1 111 111 ALA HA H 111 3.758 3.758 4.162 -0.404 25124 6198 1 9 . 1 1 111 111 ALA C C 111 178.605 178.605 179.424 -0.819 25124 6199 1 9 . 1 1 111 111 ALA CA C 111 55.320 55.320 54.966 0.354 25124 6200 1 9 . 1 1 111 111 ALA CB C 111 18.174 18.174 18.609 -0.435 25124 6201 1 9 . 1 1 111 111 ALA H H 111 7.903 7.903 7.564 0.339 25124 6202 1 9 . 1 1 112 112 VAL N N 112 116.429 116.429 118.649 -2.220 25124 6203 1 9 . 1 1 112 112 VAL HA H 112 3.194 3.194 3.572 -0.378 25124 6204 1 9 . 1 1 112 112 VAL C C 112 177.230 177.230 177.639 -0.409 25124 6205 1 9 . 1 1 112 112 VAL CA C 112 67.154 67.154 67.259 -0.105 25124 6206 1 9 . 1 1 112 112 VAL CB C 112 31.538 31.538 31.607 -0.069 25124 6207 1 9 . 1 1 112 112 VAL H H 112 8.032 8.032 8.613 -0.581 25124 6208 1 9 . 1 1 113 113 ALA N N 113 120.198 120.198 119.519 0.679 25124 6209 1 9 . 1 1 113 113 ALA HA H 113 4.159 4.159 4.158 0.001 25124 6210 1 9 . 1 1 113 113 ALA C C 113 180.589 180.589 178.860 1.729 25124 6211 1 9 . 1 1 113 113 ALA CA C 113 54.902 54.902 54.107 0.795 25124 6212 1 9 . 1 1 113 113 ALA CB C 113 17.980 17.980 18.970 -0.990 25124 6213 1 9 . 1 1 113 113 ALA H H 113 7.723 7.723 7.939 -0.216 25124 6214 1 9 . 1 1 114 114 LEU N N 114 120.742 120.742 120.088 0.654 25124 6215 1 9 . 1 1 114 114 LEU HA H 114 4.102 4.102 4.241 -0.139 25124 6216 1 9 . 1 1 114 114 LEU C C 114 178.605 178.605 178.173 0.432 25124 6217 1 9 . 1 1 114 114 LEU CA C 114 58.181 58.181 57.148 1.033 25124 6218 1 9 . 1 1 114 114 LEU CB C 114 42.032 42.032 42.095 -0.063 25124 6219 1 9 . 1 1 114 114 LEU H H 114 7.928 7.928 7.420 0.508 25124 6220 1 9 . 1 1 115 115 VAL N N 115 119.478 119.478 119.022 0.456 25124 6221 1 9 . 1 1 115 115 VAL HA H 115 3.250 3.250 3.438 -0.188 25124 6222 1 9 . 1 1 115 115 VAL C C 115 177.548 177.548 177.715 -0.167 25124 6223 1 9 . 1 1 115 115 VAL CA C 115 67.168 67.168 67.099 0.069 25124 6224 1 9 . 1 1 115 115 VAL CB C 115 30.760 30.760 31.530 -0.770 25124 6225 1 9 . 1 1 115 115 VAL H H 115 7.846 7.846 8.355 -0.509 25124 6226 1 9 . 1 1 116 116 GLU N N 116 117.570 117.570 117.148 0.422 25124 6227 1 9 . 1 1 116 116 GLU HA H 116 3.809 3.809 4.100 -0.291 25124 6228 1 9 . 1 1 116 116 GLU C C 116 179.557 179.557 178.518 1.039 25124 6229 1 9 . 1 1 116 116 GLU CA C 116 59.974 59.974 58.226 1.748 25124 6230 1 9 . 1 1 116 116 GLU CB C 116 29.084 29.084 29.188 -0.104 25124 6231 1 9 . 1 1 116 116 GLU H H 116 8.462 8.462 8.044 0.418 25124 6232 1 9 . 1 1 117 117 ARG N N 117 120.263 120.263 119.893 0.370 25124 6233 1 9 . 1 1 117 117 ARG HA H 117 4.109 4.109 4.114 -0.005 25124 6234 1 9 . 1 1 117 117 ARG C C 117 178.500 178.500 178.111 0.389 25124 6235 1 9 . 1 1 117 117 ARG CA C 117 59.411 59.411 59.495 -0.083 25124 6236 1 9 . 1 1 117 117 ARG CB C 117 30.414 30.414 30.236 0.178 25124 6237 1 9 . 1 1 117 117 ARG H H 117 8.090 8.090 7.544 0.546 25124 6238 1 9 . 1 1 118 118 ALA N N 118 122.157 122.157 119.588 2.569 25124 6239 1 9 . 1 1 118 118 ALA HA H 118 3.467 3.467 4.078 -0.611 25124 6240 1 9 . 1 1 118 118 ALA C C 118 178.632 178.632 179.367 -0.735 25124 6241 1 9 . 1 1 118 118 ALA CA C 118 54.739 54.739 53.862 0.877 25124 6242 1 9 . 1 1 118 118 ALA CB C 118 18.280 18.280 18.268 0.012 25124 6243 1 9 . 1 1 118 118 ALA H H 118 8.005 8.005 7.160 0.845 25124 6244 1 9 . 1 1 119 119 ILE N N 119 115.429 115.429 119.423 -3.994 25124 6245 1 9 . 1 1 119 119 ILE HA H 119 3.706 3.706 3.746 -0.040 25124 6246 1 9 . 1 1 119 119 ILE C C 119 177.442 177.442 178.645 -1.203 25124 6247 1 9 . 1 1 119 119 ILE CA C 119 63.910 63.910 64.766 -0.856 25124 6248 1 9 . 1 1 119 119 ILE CB C 119 37.939 37.939 37.301 0.638 25124 6249 1 9 . 1 1 119 119 ILE H H 119 7.788 7.788 7.493 0.295 25124 6250 1 9 . 1 1 120 120 SER N N 120 114.902 114.902 116.510 -1.608 25124 6251 1 9 . 1 1 120 120 SER HA H 120 4.285 4.285 4.070 0.215 25124 6252 1 9 . 1 1 120 120 SER C C 120 175.142 175.142 176.579 -1.437 25124 6253 1 9 . 1 1 120 120 SER CA C 120 59.871 59.871 62.142 -2.271 25124 6254 1 9 . 1 1 120 120 SER CB C 120 63.522 63.522 62.846 0.676 25124 6255 1 9 . 1 1 120 120 SER H H 120 7.881 7.881 8.594 -0.713 25124 6256 1 9 . 1 1 121 121 HIS N N 121 119.927 119.927 119.111 0.816 25124 6257 1 9 . 1 1 121 121 HIS HA H 121 4.439 4.439 4.167 0.272 25124 6258 1 9 . 1 1 121 121 HIS C C 121 174.957 174.957 175.733 -0.776 25124 6259 1 9 . 1 1 121 121 HIS CA C 121 57.362 57.362 58.341 -0.979 25124 6260 1 9 . 1 1 121 121 HIS CB C 121 29.496 29.496 29.754 -0.258 25124 6261 1 9 . 1 1 121 121 HIS H H 121 7.960 7.960 7.858 0.102 25124 6262 1 9 . 1 1 122 122 TYR N N 122 118.745 118.745 118.820 -0.075 25124 6263 1 9 . 1 1 122 122 TYR HA H 122 4.455 4.455 4.722 -0.267 25124 6264 1 9 . 1 1 122 122 TYR C C 122 175.353 175.353 174.729 0.624 25124 6265 1 9 . 1 1 122 122 TYR CA C 122 58.528 58.528 56.250 2.278 25124 6266 1 9 . 1 1 122 122 TYR CB C 122 38.726 38.726 37.821 0.905 25124 6267 1 9 . 1 1 122 122 TYR H H 122 7.776 7.776 7.943 -0.167 25124 6268 1 9 . 1 1 123 123 GLN N N 123 121.424 121.424 119.875 1.549 25124 6269 1 9 . 1 1 123 123 GLN HA H 123 4.294 4.294 4.148 0.146 25124 6270 1 9 . 1 1 123 123 GLN C C 123 174.560 174.560 174.959 -0.399 25124 6271 1 9 . 1 1 123 123 GLN CA C 123 55.658 55.658 56.276 -0.619 25124 6272 1 9 . 1 1 123 123 GLN CB C 123 29.877 29.877 29.442 0.435 25124 6273 1 9 . 1 1 123 123 GLN H H 123 7.904 7.904 8.133 -0.229 25124 6274 1 10 . 1 1 2 2 GLN HA H 2 4.453 4.453 4.605 -0.152 25124 6275 1 10 . 1 1 2 2 GLN C C 2 174.930 174.930 173.668 1.262 25124 6276 1 10 . 1 1 2 2 GLN CA C 2 55.627 55.627 55.417 0.210 25124 6277 1 10 . 1 1 2 2 GLN CB C 2 29.312 29.312 30.509 -1.197 25124 6278 1 10 . 1 1 3 3 ARG N N 3 121.349 121.349 122.595 -1.246 25124 6279 1 10 . 1 1 3 3 ARG HA H 3 4.390 4.390 4.555 -0.165 25124 6280 1 10 . 1 1 3 3 ARG C C 3 175.723 175.723 174.429 1.294 25124 6281 1 10 . 1 1 3 3 ARG CA C 3 56.041 56.041 56.234 -0.193 25124 6282 1 10 . 1 1 3 3 ARG CB C 3 31.395 31.395 31.777 -0.382 25124 6283 1 10 . 1 1 3 3 ARG H H 3 8.451 8.451 8.548 -0.097 25124 6284 1 10 . 1 1 4 4 GLY N N 4 107.889 107.889 108.810 -0.921 25124 6285 1 10 . 1 1 4 4 GLY C C 4 171.122 171.122 172.898 -1.776 25124 6286 1 10 . 1 1 4 4 GLY CA C 4 45.333 45.333 44.309 1.024 25124 6287 1 10 . 1 1 4 4 GLY H H 4 8.037 8.037 8.390 -0.353 25124 6288 1 10 . 1 1 5 5 ILE N N 5 122.674 122.674 120.768 1.906 25124 6289 1 10 . 1 1 5 5 ILE HA H 5 4.731 4.731 3.940 0.791 25124 6290 1 10 . 1 1 5 5 ILE C C 5 175.459 175.459 174.697 0.762 25124 6291 1 10 . 1 1 5 5 ILE CA C 5 60.614 60.614 62.341 -1.727 25124 6292 1 10 . 1 1 5 5 ILE CB C 5 39.535 39.535 38.204 1.331 25124 6293 1 10 . 1 1 5 5 ILE H H 5 9.605 9.605 8.298 1.307 25124 6294 1 10 . 1 1 6 6 VAL N N 6 127.532 127.532 126.007 1.525 25124 6295 1 10 . 1 1 6 6 VAL HA H 6 4.892 4.892 4.402 0.490 25124 6296 1 10 . 1 1 6 6 VAL C C 6 174.110 174.110 174.634 -0.524 25124 6297 1 10 . 1 1 6 6 VAL CA C 6 59.255 59.255 61.076 -1.821 25124 6298 1 10 . 1 1 6 6 VAL CB C 6 34.530 34.530 32.618 1.912 25124 6299 1 10 . 1 1 6 6 VAL H H 6 9.135 9.135 8.060 1.075 25124 6300 1 10 . 1 1 7 7 TRP N N 7 127.409 127.409 128.968 -1.559 25124 6301 1 10 . 1 1 7 7 TRP HA H 7 6.447 6.447 5.381 1.066 25124 6302 1 10 . 1 1 7 7 TRP C C 7 175.089 175.089 175.258 -0.169 25124 6303 1 10 . 1 1 7 7 TRP CA C 7 52.797 52.797 54.168 -1.371 25124 6304 1 10 . 1 1 7 7 TRP CB C 7 33.255 33.255 30.831 2.424 25124 6305 1 10 . 1 1 7 7 TRP H H 7 8.544 8.544 8.080 0.464 25124 6306 1 10 . 1 1 8 8 VAL N N 8 122.270 122.270 125.209 -2.939 25124 6307 1 10 . 1 1 8 8 VAL HA H 8 5.135 5.135 4.465 0.670 25124 6308 1 10 . 1 1 8 8 VAL C C 8 173.820 173.820 174.316 -0.496 25124 6309 1 10 . 1 1 8 8 VAL CA C 8 60.457 60.457 61.103 -0.646 25124 6310 1 10 . 1 1 8 8 VAL CB C 8 35.893 35.893 33.283 2.610 25124 6311 1 10 . 1 1 8 8 VAL H H 8 8.643 8.643 8.723 -0.080 25124 6312 1 10 . 1 1 9 9 VAL N N 9 126.806 126.806 128.744 -1.938 25124 6313 1 10 . 1 1 9 9 VAL HA H 9 5.192 5.192 4.492 0.700 25124 6314 1 10 . 1 1 9 9 VAL C C 9 172.550 172.550 173.647 -1.097 25124 6315 1 10 . 1 1 9 9 VAL CA C 9 58.384 58.384 60.721 -2.337 25124 6316 1 10 . 1 1 9 9 VAL CB C 9 34.135 34.135 33.424 0.711 25124 6317 1 10 . 1 1 9 9 VAL H H 9 9.113 9.113 7.859 1.254 25124 6318 1 10 . 1 1 10 10 ASP N N 10 125.011 125.011 126.912 -1.901 25124 6319 1 10 . 1 1 10 10 ASP HA H 10 4.554 4.554 4.810 -0.256 25124 6320 1 10 . 1 1 10 10 ASP C C 10 174.877 174.877 173.944 0.933 25124 6321 1 10 . 1 1 10 10 ASP CA C 10 55.066 55.066 53.636 1.430 25124 6322 1 10 . 1 1 10 10 ASP CB C 10 44.131 44.131 43.979 0.152 25124 6323 1 10 . 1 1 10 10 ASP H H 10 7.881 7.881 8.286 -0.405 25124 6324 1 10 . 1 1 11 11 ASP N N 11 124.048 124.048 121.908 2.140 25124 6325 1 10 . 1 1 11 11 ASP HA H 11 4.613 4.613 4.859 -0.246 25124 6326 1 10 . 1 1 11 11 ASP C C 11 175.089 175.089 174.807 0.282 25124 6327 1 10 . 1 1 11 11 ASP CA C 11 55.346 55.346 53.486 1.860 25124 6328 1 10 . 1 1 11 11 ASP CB C 11 39.583 39.583 40.662 -1.079 25124 6329 1 10 . 1 1 11 11 ASP H H 11 9.166 9.166 8.676 0.490 25124 6330 1 10 . 1 1 12 12 ASP N N 12 125.165 125.165 121.966 3.199 25124 6331 1 10 . 1 1 12 12 ASP HA H 12 4.757 4.757 4.725 0.032 25124 6332 1 10 . 1 1 12 12 ASP C C 12 176.993 176.993 176.415 0.578 25124 6333 1 10 . 1 1 12 12 ASP CA C 12 53.112 53.112 54.522 -1.409 25124 6334 1 10 . 1 1 12 12 ASP CB C 12 41.072 41.072 43.802 -2.730 25124 6335 1 10 . 1 1 12 12 ASP H H 12 10.290 10.290 7.590 2.700 25124 6336 1 10 . 1 1 13 13 SER N N 13 123.818 123.818 120.784 3.034 25124 6337 1 10 . 1 1 13 13 SER HA H 13 3.719 3.719 4.325 -0.606 25124 6338 1 10 . 1 1 13 13 SER C C 13 176.146 176.146 175.935 0.211 25124 6339 1 10 . 1 1 13 13 SER CA C 13 61.341 61.341 60.944 0.397 25124 6340 1 10 . 1 1 13 13 SER CB C 13 62.638 62.638 63.380 -0.742 25124 6341 1 10 . 1 1 13 13 SER H H 13 8.993 8.993 8.703 0.290 25124 6342 1 10 . 1 1 14 14 SER N N 14 118.714 118.714 118.511 0.203 25124 6343 1 10 . 1 1 14 14 SER HA H 14 4.322 4.322 4.359 -0.037 25124 6344 1 10 . 1 1 14 14 SER C C 14 176.411 176.411 175.977 0.434 25124 6345 1 10 . 1 1 14 14 SER CA C 14 61.717 61.717 61.612 0.105 25124 6346 1 10 . 1 1 14 14 SER CB C 14 62.554 62.554 63.116 -0.562 25124 6347 1 10 . 1 1 14 14 SER H H 14 8.499 8.499 7.742 0.757 25124 6348 1 10 . 1 1 15 15 ILE N N 15 122.822 122.822 119.343 3.479 25124 6349 1 10 . 1 1 15 15 ILE HA H 15 3.972 3.972 3.749 0.223 25124 6350 1 10 . 1 1 15 15 ILE C C 15 177.786 177.786 178.054 -0.268 25124 6351 1 10 . 1 1 15 15 ILE CA C 15 60.784 60.784 63.418 -2.634 25124 6352 1 10 . 1 1 15 15 ILE CB C 15 36.016 36.016 36.551 -0.535 25124 6353 1 10 . 1 1 15 15 ILE H H 15 7.011 7.011 7.698 -0.687 25124 6354 1 10 . 1 1 16 16 ARG N N 16 116.580 116.580 118.890 -2.310 25124 6355 1 10 . 1 1 16 16 ARG HA H 16 3.711 3.711 4.136 -0.425 25124 6356 1 10 . 1 1 16 16 ARG C C 16 177.336 177.336 178.576 -1.240 25124 6357 1 10 . 1 1 16 16 ARG CA C 16 61.632 61.632 59.295 2.337 25124 6358 1 10 . 1 1 16 16 ARG CB C 16 30.520 30.520 30.309 0.211 25124 6359 1 10 . 1 1 16 16 ARG H H 16 7.370 7.370 7.496 -0.126 25124 6360 1 10 . 1 1 17 17 TRP N N 17 116.893 116.893 122.767 -5.874 25124 6361 1 10 . 1 1 17 17 TRP HA H 17 4.481 4.481 4.385 0.096 25124 6362 1 10 . 1 1 17 17 TRP C C 17 178.394 178.394 177.676 0.718 25124 6363 1 10 . 1 1 17 17 TRP CA C 17 60.482 60.482 61.607 -1.125 25124 6364 1 10 . 1 1 17 17 TRP CB C 17 29.372 29.372 29.481 -0.109 25124 6365 1 10 . 1 1 17 17 TRP H H 17 8.020 8.020 8.365 -0.345 25124 6366 1 10 . 1 1 18 18 VAL N N 18 116.799 116.799 117.177 -0.378 25124 6367 1 10 . 1 1 18 18 VAL HA H 18 3.662 3.662 2.712 0.950 25124 6368 1 10 . 1 1 18 18 VAL C C 18 179.161 179.161 177.749 1.412 25124 6369 1 10 . 1 1 18 18 VAL CA C 18 65.858 65.858 65.418 0.440 25124 6370 1 10 . 1 1 18 18 VAL CB C 18 31.792 31.792 30.309 1.483 25124 6371 1 10 . 1 1 18 18 VAL H H 18 8.085 8.085 8.266 -0.181 25124 6372 1 10 . 1 1 19 19 LEU N N 19 119.595 119.595 120.366 -0.771 25124 6373 1 10 . 1 1 19 19 LEU HA H 19 4.083 4.083 3.887 0.196 25124 6374 1 10 . 1 1 19 19 LEU C C 19 177.759 177.759 178.590 -0.831 25124 6375 1 10 . 1 1 19 19 LEU CA C 19 57.971 57.971 57.645 0.326 25124 6376 1 10 . 1 1 19 19 LEU CB C 19 41.863 41.863 41.660 0.203 25124 6377 1 10 . 1 1 19 19 LEU H H 19 8.035 8.035 7.345 0.690 25124 6378 1 10 . 1 1 20 20 GLU N N 20 120.318 120.318 120.104 0.214 25124 6379 1 10 . 1 1 20 20 GLU HA H 20 4.007 4.007 3.834 0.173 25124 6380 1 10 . 1 1 20 20 GLU C C 20 178.500 178.500 178.869 -0.369 25124 6381 1 10 . 1 1 20 20 GLU CA C 20 60.567 60.567 59.755 0.812 25124 6382 1 10 . 1 1 20 20 GLU CB C 20 29.073 29.073 29.549 -0.476 25124 6383 1 10 . 1 1 20 20 GLU H H 20 8.417 8.417 7.978 0.439 25124 6384 1 10 . 1 1 21 21 ARG N N 21 115.981 115.981 117.109 -1.128 25124 6385 1 10 . 1 1 21 21 ARG HA H 21 3.898 3.898 3.923 -0.025 25124 6386 1 10 . 1 1 21 21 ARG C C 21 179.769 179.769 177.794 1.975 25124 6387 1 10 . 1 1 21 21 ARG CA C 21 58.491 58.491 58.493 -0.002 25124 6388 1 10 . 1 1 21 21 ARG CB C 21 29.966 29.966 29.438 0.528 25124 6389 1 10 . 1 1 21 21 ARG H H 21 7.579 7.579 8.144 -0.565 25124 6390 1 10 . 1 1 22 22 ALA N N 22 122.267 122.267 121.874 0.393 25124 6391 1 10 . 1 1 22 22 ALA HA H 22 4.110 4.110 4.168 -0.058 25124 6392 1 10 . 1 1 22 22 ALA C C 22 180.456 180.456 179.521 0.935 25124 6393 1 10 . 1 1 22 22 ALA CA C 22 54.643 54.643 54.122 0.521 25124 6394 1 10 . 1 1 22 22 ALA CB C 22 19.225 19.225 18.888 0.337 25124 6395 1 10 . 1 1 22 22 ALA H H 22 7.933 7.933 7.540 0.393 25124 6396 1 10 . 1 1 23 23 LEU N N 23 118.139 118.139 120.003 -1.864 25124 6397 1 10 . 1 1 23 23 LEU HA H 23 4.005 4.005 3.914 0.091 25124 6398 1 10 . 1 1 23 23 LEU C C 23 178.843 178.843 179.207 -0.364 25124 6399 1 10 . 1 1 23 23 LEU CA C 23 57.765 57.765 57.993 -0.228 25124 6400 1 10 . 1 1 23 23 LEU CB C 23 39.919 39.919 41.447 -1.528 25124 6401 1 10 . 1 1 23 23 LEU H H 23 8.855 8.855 8.688 0.167 25124 6402 1 10 . 1 1 24 24 ALA N N 24 122.164 122.164 120.075 2.089 25124 6403 1 10 . 1 1 24 24 ALA HA H 24 4.665 4.665 4.067 0.598 25124 6404 1 10 . 1 1 24 24 ALA C C 24 183.206 183.206 179.566 3.640 25124 6405 1 10 . 1 1 24 24 ALA CA C 24 54.812 54.812 54.543 0.269 25124 6406 1 10 . 1 1 24 24 ALA CB C 24 17.820 17.820 18.311 -0.491 25124 6407 1 10 . 1 1 24 24 ALA H H 24 8.238 8.238 8.362 -0.124 25124 6408 1 10 . 1 1 25 25 GLY N N 25 106.903 106.903 106.137 0.766 25124 6409 1 10 . 1 1 25 25 GLY C C 25 174.375 174.375 175.331 -0.956 25124 6410 1 10 . 1 1 25 25 GLY CA C 25 46.550 46.550 45.383 1.167 25124 6411 1 10 . 1 1 25 25 GLY H H 25 7.907 7.907 7.774 0.133 25124 6412 1 10 . 1 1 26 26 ALA N N 26 121.832 121.832 122.317 -0.485 25124 6413 1 10 . 1 1 26 26 ALA HA H 26 4.505 4.505 4.256 0.249 25124 6414 1 10 . 1 1 26 26 ALA CA C 26 51.585 51.585 52.645 -1.060 25124 6415 1 10 . 1 1 26 26 ALA CB C 26 18.799 18.799 19.726 -0.927 25124 6416 1 10 . 1 1 26 26 ALA H H 26 7.316 7.316 7.956 -0.640 25124 6417 1 10 . 1 1 27 27 GLY N N 27 106.146 106.146 105.409 0.737 25124 6418 1 10 . 1 1 27 27 GLY C C 27 174.057 174.057 174.419 -0.362 25124 6419 1 10 . 1 1 27 27 GLY CA C 27 45.333 45.333 44.790 0.543 25124 6420 1 10 . 1 1 27 27 GLY H H 27 7.868 7.868 8.256 -0.388 25124 6421 1 10 . 1 1 28 28 LEU N N 28 120.273 120.273 121.277 -1.004 25124 6422 1 10 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.246 0.329 25124 6423 1 10 . 1 1 28 28 LEU C C 28 175.988 175.988 177.182 -1.194 25124 6424 1 10 . 1 1 28 28 LEU CA C 28 53.881 53.881 54.523 -0.642 25124 6425 1 10 . 1 1 28 28 LEU CB C 28 42.540 42.540 42.197 0.343 25124 6426 1 10 . 1 1 28 28 LEU H H 28 7.659 7.659 7.589 0.070 25124 6427 1 10 . 1 1 29 29 THR N N 29 118.173 118.173 118.402 -0.229 25124 6428 1 10 . 1 1 29 29 THR HA H 29 4.346 4.346 4.205 0.141 25124 6429 1 10 . 1 1 29 29 THR C C 29 173.344 173.344 173.794 -0.450 25124 6430 1 10 . 1 1 29 29 THR CA C 29 62.598 62.598 64.177 -1.579 25124 6431 1 10 . 1 1 29 29 THR CB C 29 69.423 69.423 69.268 0.155 25124 6432 1 10 . 1 1 29 29 THR H H 29 8.562 8.562 8.423 0.139 25124 6433 1 10 . 1 1 30 30 CYS N N 30 128.450 128.450 127.909 0.541 25124 6434 1 10 . 1 1 30 30 CYS HA H 30 6.012 6.012 4.782 1.230 25124 6435 1 10 . 1 1 30 30 CYS C C 30 173.978 173.978 173.954 0.024 25124 6436 1 10 . 1 1 30 30 CYS CA C 30 56.424 56.424 57.367 -0.943 25124 6437 1 10 . 1 1 30 30 CYS CB C 30 29.615 29.615 28.640 0.975 25124 6438 1 10 . 1 1 30 30 CYS H H 30 9.035 9.035 8.636 0.399 25124 6439 1 10 . 1 1 31 31 THR N N 31 126.377 126.377 125.133 1.244 25124 6440 1 10 . 1 1 31 31 THR HA H 31 4.442 4.442 4.572 -0.130 25124 6441 1 10 . 1 1 31 31 THR C C 31 172.683 172.683 172.668 0.015 25124 6442 1 10 . 1 1 31 31 THR CA C 31 61.956 61.956 61.960 -0.004 25124 6443 1 10 . 1 1 31 31 THR CB C 31 70.624 70.624 71.362 -0.738 25124 6444 1 10 . 1 1 31 31 THR H H 31 8.510 8.510 8.536 -0.026 25124 6445 1 10 . 1 1 32 32 THR N N 32 115.988 115.988 113.828 2.160 25124 6446 1 10 . 1 1 32 32 THR HA H 32 5.454 5.454 4.787 0.667 25124 6447 1 10 . 1 1 32 32 THR C C 32 172.259 172.259 171.859 0.400 25124 6448 1 10 . 1 1 32 32 THR CA C 32 59.101 59.101 59.548 -0.447 25124 6449 1 10 . 1 1 32 32 THR CB C 32 71.173 71.173 71.377 -0.204 25124 6450 1 10 . 1 1 32 32 THR H H 32 8.301 8.301 7.905 0.396 25124 6451 1 10 . 1 1 33 33 PHE N N 33 117.690 117.690 118.623 -0.933 25124 6452 1 10 . 1 1 33 33 PHE HA H 33 4.723 4.723 4.592 0.131 25124 6453 1 10 . 1 1 33 33 PHE C C 33 174.507 174.507 175.111 -0.604 25124 6454 1 10 . 1 1 33 33 PHE CA C 33 56.504 56.504 58.826 -2.322 25124 6455 1 10 . 1 1 33 33 PHE CB C 33 43.589 43.589 40.177 3.412 25124 6456 1 10 . 1 1 33 33 PHE H H 33 8.834 8.834 8.433 0.401 25124 6457 1 10 . 1 1 34 34 GLU N N 34 118.296 118.296 115.923 2.373 25124 6458 1 10 . 1 1 34 34 GLU HA H 34 4.451 4.451 4.585 -0.134 25124 6459 1 10 . 1 1 34 34 GLU C C 34 174.957 174.957 173.936 1.021 25124 6460 1 10 . 1 1 34 34 GLU CA C 34 56.661 56.661 57.062 -0.401 25124 6461 1 10 . 1 1 34 34 GLU CB C 34 31.792 31.792 31.677 0.115 25124 6462 1 10 . 1 1 34 34 GLU H H 34 9.096 9.096 8.662 0.434 25124 6463 1 10 . 1 1 35 35 ASN N N 35 108.486 108.486 115.884 -7.398 25124 6464 1 10 . 1 1 35 35 ASN HA H 35 4.960 4.960 5.073 -0.113 25124 6465 1 10 . 1 1 35 35 ASN C C 35 175.353 175.353 176.705 -1.352 25124 6466 1 10 . 1 1 35 35 ASN CA C 35 52.364 52.364 52.192 0.172 25124 6467 1 10 . 1 1 35 35 ASN CB C 35 40.932 40.932 40.477 0.455 25124 6468 1 10 . 1 1 35 35 ASN H H 35 7.286 7.286 7.912 -0.626 25124 6469 1 10 . 1 1 36 36 GLY N N 36 105.329 105.329 109.537 -4.208 25124 6470 1 10 . 1 1 36 36 GLY C C 36 174.586 174.586 175.798 -1.212 25124 6471 1 10 . 1 1 36 36 GLY CA C 36 47.533 47.533 47.499 0.034 25124 6472 1 10 . 1 1 36 36 GLY H H 36 9.369 9.369 8.995 0.374 25124 6473 1 10 . 1 1 37 37 ASN N N 37 120.396 120.396 119.385 1.011 25124 6474 1 10 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.318 0.044 25124 6475 1 10 . 1 1 37 37 ASN C C 37 178.791 178.791 177.407 1.384 25124 6476 1 10 . 1 1 37 37 ASN CA C 37 56.843 56.843 56.396 0.447 25124 6477 1 10 . 1 1 37 37 ASN CB C 37 37.716 37.716 38.444 -0.729 25124 6478 1 10 . 1 1 37 37 ASN H H 37 8.440 8.440 8.427 0.013 25124 6479 1 10 . 1 1 38 38 GLU N N 38 119.334 119.334 120.109 -0.775 25124 6480 1 10 . 1 1 38 38 GLU HA H 38 4.058 4.058 3.879 0.179 25124 6481 1 10 . 1 1 38 38 GLU C C 38 179.372 179.372 178.853 0.519 25124 6482 1 10 . 1 1 38 38 GLU CA C 38 58.790 58.790 58.948 -0.158 25124 6483 1 10 . 1 1 38 38 GLU CB C 38 30.692 30.692 29.437 1.255 25124 6484 1 10 . 1 1 38 38 GLU H H 38 8.063 8.063 7.668 0.395 25124 6485 1 10 . 1 1 39 39 VAL N N 39 119.047 119.047 119.746 -0.699 25124 6486 1 10 . 1 1 39 39 VAL HA H 39 2.599 2.599 2.766 -0.167 25124 6487 1 10 . 1 1 39 39 VAL C C 39 176.807 176.807 178.029 -1.222 25124 6488 1 10 . 1 1 39 39 VAL CA C 39 65.222 65.222 65.431 -0.209 25124 6489 1 10 . 1 1 39 39 VAL CB C 39 31.078 31.078 30.981 0.097 25124 6490 1 10 . 1 1 39 39 VAL H H 39 6.844 6.844 7.176 -0.332 25124 6491 1 10 . 1 1 40 40 LEU N N 40 118.385 118.385 121.159 -2.774 25124 6492 1 10 . 1 1 40 40 LEU HA H 40 3.929 3.929 3.884 0.045 25124 6493 1 10 . 1 1 40 40 LEU C C 40 179.584 179.584 178.197 1.387 25124 6494 1 10 . 1 1 40 40 LEU CA C 40 57.943 57.943 57.949 -0.006 25124 6495 1 10 . 1 1 40 40 LEU CB C 40 40.932 40.932 40.152 0.780 25124 6496 1 10 . 1 1 40 40 LEU H H 40 7.715 7.715 7.940 -0.225 25124 6497 1 10 . 1 1 41 41 ALA N N 41 120.091 120.091 119.995 0.096 25124 6498 1 10 . 1 1 41 41 ALA HA H 41 4.158 4.158 3.926 0.232 25124 6499 1 10 . 1 1 41 41 ALA C C 41 180.562 180.562 179.095 1.467 25124 6500 1 10 . 1 1 41 41 ALA CA C 41 54.717 54.717 54.902 -0.185 25124 6501 1 10 . 1 1 41 41 ALA CB C 41 17.853 17.853 17.944 -0.091 25124 6502 1 10 . 1 1 41 41 ALA H H 41 7.671 7.671 7.702 -0.031 25124 6503 1 10 . 1 1 42 42 ALA N N 42 122.650 122.650 120.207 2.443 25124 6504 1 10 . 1 1 42 42 ALA HA H 42 4.221 4.221 4.253 -0.032 25124 6505 1 10 . 1 1 42 42 ALA C C 42 180.166 180.166 179.599 0.567 25124 6506 1 10 . 1 1 42 42 ALA CA C 42 54.974 54.974 53.981 0.993 25124 6507 1 10 . 1 1 42 42 ALA CB C 42 19.488 19.488 18.344 1.144 25124 6508 1 10 . 1 1 42 42 ALA H H 42 7.573 7.573 7.140 0.433 25124 6509 1 10 . 1 1 43 43 LEU N N 43 119.321 119.321 120.622 -1.301 25124 6510 1 10 . 1 1 43 43 LEU HA H 43 5.260 5.260 4.529 0.731 25124 6511 1 10 . 1 1 43 43 LEU C C 43 177.389 177.389 179.363 -1.974 25124 6512 1 10 . 1 1 43 43 LEU CA C 43 55.446 55.446 57.937 -2.491 25124 6513 1 10 . 1 1 43 43 LEU CB C 43 42.879 42.879 42.176 0.703 25124 6514 1 10 . 1 1 43 43 LEU H H 43 8.289 8.289 8.291 -0.002 25124 6515 1 10 . 1 1 44 44 ALA N N 44 118.995 118.995 119.249 -0.254 25124 6516 1 10 . 1 1 44 44 ALA HA H 44 4.232 4.232 4.140 0.092 25124 6517 1 10 . 1 1 44 44 ALA C C 44 178.738 178.738 178.759 -0.021 25124 6518 1 10 . 1 1 44 44 ALA CA C 44 54.353 54.353 54.411 -0.058 25124 6519 1 10 . 1 1 44 44 ALA CB C 44 18.674 18.674 18.721 -0.047 25124 6520 1 10 . 1 1 44 44 ALA H H 44 7.307 7.307 7.907 -0.600 25124 6521 1 10 . 1 1 45 45 SER N N 45 108.530 108.530 111.968 -3.438 25124 6522 1 10 . 1 1 45 45 SER HA H 45 4.761 4.761 4.466 0.295 25124 6523 1 10 . 1 1 45 45 SER C C 45 173.344 173.344 175.109 -1.765 25124 6524 1 10 . 1 1 45 45 SER CA C 45 58.682 58.682 60.157 -1.475 25124 6525 1 10 . 1 1 45 45 SER CB C 45 65.446 65.446 63.980 1.466 25124 6526 1 10 . 1 1 45 45 SER H H 45 7.772 7.772 8.024 -0.252 25124 6527 1 10 . 1 1 46 46 LYS N N 46 122.965 122.965 117.990 4.975 25124 6528 1 10 . 1 1 46 46 LYS HA H 46 4.608 4.608 4.575 0.033 25124 6529 1 10 . 1 1 46 46 LYS C C 46 172.815 172.815 174.156 -1.341 25124 6530 1 10 . 1 1 46 46 LYS CA C 46 55.601 55.601 55.937 -0.336 25124 6531 1 10 . 1 1 46 46 LYS CB C 46 36.399 36.399 35.569 0.830 25124 6532 1 10 . 1 1 46 46 LYS H H 46 8.096 8.096 8.504 -0.408 25124 6533 1 10 . 1 1 47 47 THR N N 47 111.524 111.524 115.121 -3.597 25124 6534 1 10 . 1 1 47 47 THR HA H 47 4.307 4.307 4.492 -0.185 25124 6535 1 10 . 1 1 47 47 THR CA C 47 57.896 57.896 58.251 -0.355 25124 6536 1 10 . 1 1 47 47 THR CB C 47 70.570 70.570 69.015 1.555 25124 6537 1 10 . 1 1 47 47 THR H H 47 7.708 7.708 8.201 -0.493 25124 6538 1 10 . 1 1 48 48 PRO HA H 48 3.944 3.944 4.067 -0.123 25124 6539 1 10 . 1 1 48 48 PRO C C 48 173.079 173.079 175.902 -2.823 25124 6540 1 10 . 1 1 48 48 PRO CA C 48 60.922 60.922 62.222 -1.300 25124 6541 1 10 . 1 1 48 48 PRO CB C 48 30.353 30.353 32.248 -1.895 25124 6542 1 10 . 1 1 49 49 ASP N N 49 115.001 115.001 117.813 -2.812 25124 6543 1 10 . 1 1 49 49 ASP HA H 49 4.460 4.460 4.611 -0.151 25124 6544 1 10 . 1 1 49 49 ASP C C 49 175.591 175.591 175.085 0.506 25124 6545 1 10 . 1 1 49 49 ASP CA C 49 56.504 56.504 54.602 1.902 25124 6546 1 10 . 1 1 49 49 ASP CB C 49 42.625 42.625 42.331 0.294 25124 6547 1 10 . 1 1 49 49 ASP H H 49 8.535 8.535 8.287 0.248 25124 6548 1 10 . 1 1 50 50 VAL N N 50 111.832 111.832 114.183 -2.351 25124 6549 1 10 . 1 1 50 50 VAL HA H 50 4.316 4.316 4.148 0.168 25124 6550 1 10 . 1 1 50 50 VAL C C 50 171.572 171.572 172.886 -1.314 25124 6551 1 10 . 1 1 50 50 VAL CA C 50 60.398 60.398 61.273 -0.875 25124 6552 1 10 . 1 1 50 50 VAL CB C 50 34.650 34.650 33.595 1.055 25124 6553 1 10 . 1 1 50 50 VAL H H 50 7.194 7.194 7.276 -0.082 25124 6554 1 10 . 1 1 51 51 LEU N N 51 127.785 127.785 127.169 0.616 25124 6555 1 10 . 1 1 51 51 LEU HA H 51 5.376 5.376 5.476 -0.100 25124 6556 1 10 . 1 1 51 51 LEU C C 51 173.264 173.264 174.332 -1.068 25124 6557 1 10 . 1 1 51 51 LEU CA C 51 53.137 53.137 53.427 -0.290 25124 6558 1 10 . 1 1 51 51 LEU CB C 51 46.680 46.680 46.545 0.135 25124 6559 1 10 . 1 1 51 51 LEU H H 51 8.049 8.049 8.407 -0.358 25124 6560 1 10 . 1 1 52 52 LEU N N 52 128.943 128.943 124.421 4.522 25124 6561 1 10 . 1 1 52 52 LEU HA H 52 5.312 5.312 5.396 -0.084 25124 6562 1 10 . 1 1 52 52 LEU C C 52 174.692 174.692 176.120 -1.428 25124 6563 1 10 . 1 1 52 52 LEU CA C 52 54.313 54.313 53.683 0.630 25124 6564 1 10 . 1 1 52 52 LEU CB C 52 43.961 43.961 43.442 0.519 25124 6565 1 10 . 1 1 52 52 LEU H H 52 9.278 9.278 8.186 1.092 25124 6566 1 10 . 1 1 53 53 SER N N 53 116.717 116.717 117.691 -0.974 25124 6567 1 10 . 1 1 53 53 SER HA H 53 5.395 5.395 4.856 0.538 25124 6568 1 10 . 1 1 53 53 SER C C 53 173.608 173.608 173.572 0.036 25124 6569 1 10 . 1 1 53 53 SER CA C 53 56.226 56.226 56.635 -0.409 25124 6570 1 10 . 1 1 53 53 SER CB C 53 65.753 65.753 65.977 -0.224 25124 6571 1 10 . 1 1 53 53 SER H H 53 9.256 9.256 8.124 1.132 25124 6572 1 10 . 1 1 54 54 ASP N N 54 127.909 127.909 120.912 6.997 25124 6573 1 10 . 1 1 54 54 ASP HA H 54 5.622 5.622 5.604 0.018 25124 6574 1 10 . 1 1 54 54 ASP C C 54 175.723 175.723 176.274 -0.551 25124 6575 1 10 . 1 1 54 54 ASP CA C 54 53.268 53.268 52.502 0.766 25124 6576 1 10 . 1 1 54 54 ASP CB C 54 44.386 44.386 44.877 -0.491 25124 6577 1 10 . 1 1 54 54 ASP H H 54 8.219 8.219 8.534 -0.315 25124 6578 1 10 . 1 1 55 55 ILE N N 55 117.015 117.015 119.593 -2.578 25124 6579 1 10 . 1 1 55 55 ILE HA H 55 4.116 4.116 4.347 -0.231 25124 6580 1 10 . 1 1 55 55 ILE C C 55 176.913 176.913 177.175 -0.262 25124 6581 1 10 . 1 1 55 55 ILE CA C 55 65.290 65.290 61.488 3.802 25124 6582 1 10 . 1 1 55 55 ILE CB C 55 38.487 38.487 38.475 0.012 25124 6583 1 10 . 1 1 55 55 ILE H H 55 7.812 7.812 7.864 -0.052 25124 6584 1 10 . 1 1 56 56 ARG N N 56 117.365 117.365 122.006 -4.641 25124 6585 1 10 . 1 1 56 56 ARG HA H 56 4.379 4.379 4.245 0.134 25124 6586 1 10 . 1 1 56 56 ARG C C 56 172.788 172.788 175.375 -2.587 25124 6587 1 10 . 1 1 56 56 ARG CA C 56 57.034 57.034 55.681 1.353 25124 6588 1 10 . 1 1 56 56 ARG CB C 56 27.600 27.600 27.979 -0.379 25124 6589 1 10 . 1 1 56 56 ARG H H 56 8.991 8.991 7.547 1.444 25124 6590 1 10 . 1 1 57 57 MET N N 57 129.539 129.539 121.132 8.407 25124 6591 1 10 . 1 1 57 57 MET HA H 57 4.767 4.767 4.805 -0.038 25124 6592 1 10 . 1 1 57 57 MET CA C 57 53.641 53.641 52.865 0.776 25124 6593 1 10 . 1 1 57 57 MET CB C 57 36.484 36.484 34.396 2.088 25124 6594 1 10 . 1 1 57 57 MET H H 57 7.501 7.501 8.190 -0.689 25124 6595 1 10 . 1 1 58 58 PRO HA H 58 4.379 4.379 4.419 -0.040 25124 6596 1 10 . 1 1 58 58 PRO C C 58 177.495 177.495 177.527 -0.032 25124 6597 1 10 . 1 1 58 58 PRO CA C 58 63.104 63.104 63.865 -0.762 25124 6598 1 10 . 1 1 58 58 PRO CB C 58 31.922 31.922 32.274 -0.352 25124 6599 1 10 . 1 1 59 59 GLY N N 59 112.312 112.312 108.073 4.239 25124 6600 1 10 . 1 1 59 59 GLY C C 59 173.793 173.793 174.923 -1.130 25124 6601 1 10 . 1 1 59 59 GLY CA C 59 46.430 46.430 47.037 -0.607 25124 6602 1 10 . 1 1 59 59 GLY H H 59 8.656 8.656 8.099 0.557 25124 6603 1 10 . 1 1 60 60 MET N N 60 124.343 124.343 115.157 9.186 25124 6604 1 10 . 1 1 60 60 MET HA H 60 4.344 4.344 4.685 -0.341 25124 6605 1 10 . 1 1 60 60 MET C C 60 174.190 174.190 174.850 -0.660 25124 6606 1 10 . 1 1 60 60 MET CA C 60 55.871 55.871 55.307 0.564 25124 6607 1 10 . 1 1 60 60 MET CB C 60 34.955 34.955 34.080 0.875 25124 6608 1 10 . 1 1 60 60 MET H H 60 7.778 7.778 8.005 -0.227 25124 6609 1 10 . 1 1 61 61 ASP N N 61 124.993 124.993 118.655 6.338 25124 6610 1 10 . 1 1 61 61 ASP HA H 61 4.870 4.870 5.082 -0.212 25124 6611 1 10 . 1 1 61 61 ASP C C 61 176.966 176.966 176.395 0.571 25124 6612 1 10 . 1 1 61 61 ASP CA C 61 53.490 53.490 54.130 -0.640 25124 6613 1 10 . 1 1 61 61 ASP CB C 61 42.347 42.347 42.362 -0.015 25124 6614 1 10 . 1 1 61 61 ASP H H 61 8.378 8.378 7.919 0.459 25124 6615 1 10 . 1 1 62 62 GLY N N 62 105.163 105.163 107.849 -2.686 25124 6616 1 10 . 1 1 62 62 GLY C C 62 175.935 175.935 175.888 0.047 25124 6617 1 10 . 1 1 62 62 GLY CA C 62 46.755 46.755 45.630 1.125 25124 6618 1 10 . 1 1 62 62 GLY H H 62 10.153 10.153 8.640 1.512 25124 6619 1 10 . 1 1 63 63 LEU N N 63 120.509 120.509 120.184 0.325 25124 6620 1 10 . 1 1 63 63 LEU HA H 63 4.293 4.293 4.144 0.149 25124 6621 1 10 . 1 1 63 63 LEU C C 63 179.293 179.293 178.135 1.158 25124 6622 1 10 . 1 1 63 63 LEU CA C 63 57.148 57.148 56.325 0.823 25124 6623 1 10 . 1 1 63 63 LEU CB C 63 40.053 40.053 41.672 -1.619 25124 6624 1 10 . 1 1 63 63 LEU H H 63 8.119 8.119 7.893 0.226 25124 6625 1 10 . 1 1 64 64 ALA N N 64 126.234 126.234 121.814 4.420 25124 6626 1 10 . 1 1 64 64 ALA HA H 64 4.112 4.112 4.121 -0.009 25124 6627 1 10 . 1 1 64 64 ALA C C 64 181.223 181.223 178.410 2.813 25124 6628 1 10 . 1 1 64 64 ALA CA C 64 54.802 54.802 54.423 0.379 25124 6629 1 10 . 1 1 64 64 ALA CB C 64 18.133 18.133 18.436 -0.304 25124 6630 1 10 . 1 1 64 64 ALA H H 64 8.303 8.303 7.935 0.368 25124 6631 1 10 . 1 1 65 65 LEU N N 65 120.067 120.067 118.437 1.630 25124 6632 1 10 . 1 1 65 65 LEU HA H 65 4.044 4.044 4.272 -0.228 25124 6633 1 10 . 1 1 65 65 LEU C C 65 177.548 177.548 178.257 -0.709 25124 6634 1 10 . 1 1 65 65 LEU CA C 65 58.197 58.197 56.795 1.402 25124 6635 1 10 . 1 1 65 65 LEU CB C 65 41.727 41.727 42.789 -1.062 25124 6636 1 10 . 1 1 65 65 LEU H H 65 8.398 8.398 7.859 0.539 25124 6637 1 10 . 1 1 66 66 LEU N N 66 120.890 120.890 119.464 1.426 25124 6638 1 10 . 1 1 66 66 LEU HA H 66 3.848 3.848 4.091 -0.243 25124 6639 1 10 . 1 1 66 66 LEU C C 66 177.230 177.230 178.079 -0.849 25124 6640 1 10 . 1 1 66 66 LEU CA C 66 58.736 58.736 57.442 1.294 25124 6641 1 10 . 1 1 66 66 LEU CB C 66 41.803 41.803 41.867 -0.063 25124 6642 1 10 . 1 1 66 66 LEU H H 66 8.203 8.203 7.757 0.446 25124 6643 1 10 . 1 1 67 67 LYS N N 67 116.919 116.919 118.097 -1.178 25124 6644 1 10 . 1 1 67 67 LYS HA H 67 4.004 4.004 3.997 0.007 25124 6645 1 10 . 1 1 67 67 LYS C C 67 179.452 179.452 178.698 0.754 25124 6646 1 10 . 1 1 67 67 LYS CA C 67 59.733 59.733 58.820 0.913 25124 6647 1 10 . 1 1 67 67 LYS CB C 67 32.415 32.415 32.088 0.327 25124 6648 1 10 . 1 1 67 67 LYS H H 67 7.667 7.667 7.681 -0.014 25124 6649 1 10 . 1 1 68 68 GLN N N 68 116.851 116.851 118.917 -2.066 25124 6650 1 10 . 1 1 68 68 GLN HA H 68 4.046 4.046 4.095 -0.049 25124 6651 1 10 . 1 1 68 68 GLN C C 68 179.319 179.319 178.236 1.083 25124 6652 1 10 . 1 1 68 68 GLN CA C 68 58.820 58.820 58.792 0.028 25124 6653 1 10 . 1 1 68 68 GLN CB C 68 28.660 28.660 29.379 -0.719 25124 6654 1 10 . 1 1 68 68 GLN H H 68 7.677 7.677 7.442 0.235 25124 6655 1 10 . 1 1 69 69 ILE N N 69 120.670 120.670 115.778 4.892 25124 6656 1 10 . 1 1 69 69 ILE HA H 69 3.564 3.564 3.981 -0.417 25124 6657 1 10 . 1 1 69 69 ILE C C 69 177.786 177.786 178.296 -0.510 25124 6658 1 10 . 1 1 69 69 ILE CA C 69 65.381 65.381 64.251 1.130 25124 6659 1 10 . 1 1 69 69 ILE CB C 69 37.186 37.186 37.497 -0.311 25124 6660 1 10 . 1 1 69 69 ILE H H 69 8.918 8.918 7.514 1.404 25124 6661 1 10 . 1 1 70 70 LYS N N 70 118.002 118.002 118.570 -0.568 25124 6662 1 10 . 1 1 70 70 LYS HA H 70 3.936 3.936 4.208 -0.272 25124 6663 1 10 . 1 1 70 70 LYS C C 70 177.944 177.944 177.939 0.005 25124 6664 1 10 . 1 1 70 70 LYS CA C 70 57.351 57.351 58.202 -0.851 25124 6665 1 10 . 1 1 70 70 LYS CB C 70 31.440 31.440 32.576 -1.136 25124 6666 1 10 . 1 1 70 70 LYS H H 70 8.592 8.592 7.589 1.003 25124 6667 1 10 . 1 1 71 71 GLN N N 71 114.891 114.891 115.978 -1.087 25124 6668 1 10 . 1 1 71 71 GLN HA H 71 4.063 4.063 4.217 -0.154 25124 6669 1 10 . 1 1 71 71 GLN C C 71 177.019 177.019 177.218 -0.199 25124 6670 1 10 . 1 1 71 71 GLN CA C 71 58.007 58.007 57.043 0.964 25124 6671 1 10 . 1 1 71 71 GLN CB C 71 29.168 29.168 29.543 -0.375 25124 6672 1 10 . 1 1 71 71 GLN H H 71 7.266 7.266 7.465 -0.199 25124 6673 1 10 . 1 1 72 72 ARG N N 72 116.364 116.364 119.533 -3.169 25124 6674 1 10 . 1 1 72 72 ARG HA H 72 4.130 4.130 4.156 -0.026 25124 6675 1 10 . 1 1 72 72 ARG C C 72 175.803 175.803 175.850 -0.047 25124 6676 1 10 . 1 1 72 72 ARG CA C 72 57.174 57.174 57.553 -0.379 25124 6677 1 10 . 1 1 72 72 ARG CB C 72 32.638 32.638 31.730 0.908 25124 6678 1 10 . 1 1 72 72 ARG H H 72 7.254 7.254 8.435 -1.181 25124 6679 1 10 . 1 1 73 73 HIS N N 73 116.981 116.981 113.428 3.553 25124 6680 1 10 . 1 1 73 73 HIS HA H 73 4.994 4.994 4.977 0.017 25124 6681 1 10 . 1 1 73 73 HIS CA C 73 53.252 53.252 53.108 0.144 25124 6682 1 10 . 1 1 73 73 HIS CB C 73 31.026 31.026 30.392 0.634 25124 6683 1 10 . 1 1 73 73 HIS H H 73 8.828 8.828 7.380 1.448 25124 6684 1 10 . 1 1 74 74 PRO HA H 74 4.435 4.435 4.519 -0.084 25124 6685 1 10 . 1 1 74 74 PRO C C 74 178.156 178.156 177.756 0.400 25124 6686 1 10 . 1 1 74 74 PRO CA C 74 65.284 65.284 64.435 0.849 25124 6687 1 10 . 1 1 74 74 PRO CB C 74 32.130 32.130 31.875 0.255 25124 6688 1 10 . 1 1 75 75 MET N N 75 114.676 114.676 117.541 -2.865 25124 6689 1 10 . 1 1 75 75 MET HA H 75 4.587 4.587 4.422 0.165 25124 6690 1 10 . 1 1 75 75 MET C C 75 176.067 176.067 175.865 0.202 25124 6691 1 10 . 1 1 75 75 MET CA C 75 54.304 54.304 56.526 -2.222 25124 6692 1 10 . 1 1 75 75 MET CB C 75 31.623 31.623 32.772 -1.149 25124 6693 1 10 . 1 1 75 75 MET H H 75 8.648 8.648 8.050 0.598 25124 6694 1 10 . 1 1 76 76 LEU N N 76 125.720 125.720 117.255 8.465 25124 6695 1 10 . 1 1 76 76 LEU HA H 76 4.293 4.293 4.550 -0.257 25124 6696 1 10 . 1 1 76 76 LEU CA C 76 53.472 53.472 52.013 1.459 25124 6697 1 10 . 1 1 76 76 LEU CB C 76 43.540 43.540 41.815 1.725 25124 6698 1 10 . 1 1 76 76 LEU H H 76 7.342 7.342 7.434 -0.092 25124 6699 1 10 . 1 1 77 77 PRO HA H 77 4.440 4.440 4.489 -0.049 25124 6700 1 10 . 1 1 77 77 PRO C C 77 175.062 175.062 175.571 -0.509 25124 6701 1 10 . 1 1 77 77 PRO CA C 77 62.841 62.841 62.675 0.166 25124 6702 1 10 . 1 1 77 77 PRO CB C 77 31.903 31.903 32.477 -0.574 25124 6703 1 10 . 1 1 78 78 VAL N N 78 123.116 123.116 119.179 3.937 25124 6704 1 10 . 1 1 78 78 VAL HA H 78 5.093 5.093 4.296 0.797 25124 6705 1 10 . 1 1 78 78 VAL C C 78 175.776 175.776 174.488 1.288 25124 6706 1 10 . 1 1 78 78 VAL CA C 78 60.083 60.083 62.049 -1.966 25124 6707 1 10 . 1 1 78 78 VAL CB C 78 34.245 34.245 35.108 -0.863 25124 6708 1 10 . 1 1 78 78 VAL H H 78 8.369 8.369 8.480 -0.111 25124 6709 1 10 . 1 1 79 79 ILE N N 79 129.166 129.166 126.022 3.144 25124 6710 1 10 . 1 1 79 79 ILE HA H 79 4.499 4.499 4.513 -0.014 25124 6711 1 10 . 1 1 79 79 ILE C C 79 174.295 174.295 175.191 -0.896 25124 6712 1 10 . 1 1 79 79 ILE CA C 79 60.030 60.030 60.342 -0.312 25124 6713 1 10 . 1 1 79 79 ILE CB C 79 40.222 40.222 40.003 0.219 25124 6714 1 10 . 1 1 79 79 ILE H H 79 9.436 9.436 7.872 1.564 25124 6715 1 10 . 1 1 80 80 ILE N N 80 128.234 128.234 126.645 1.589 25124 6716 1 10 . 1 1 80 80 ILE HA H 80 5.253 5.253 4.313 0.940 25124 6717 1 10 . 1 1 80 80 ILE C C 80 173.449 173.449 174.479 -1.030 25124 6718 1 10 . 1 1 80 80 ILE CA C 80 56.265 56.265 60.081 -3.816 25124 6719 1 10 . 1 1 80 80 ILE CB C 80 38.176 38.176 37.754 0.422 25124 6720 1 10 . 1 1 80 80 ILE H H 80 7.920 7.920 8.087 -0.167 25124 6721 1 10 . 1 1 81 81 MET N N 81 124.079 124.079 127.922 -3.843 25124 6722 1 10 . 1 1 81 81 MET HA H 81 5.489 5.489 4.671 0.818 25124 6723 1 10 . 1 1 81 81 MET C C 81 173.820 173.820 173.760 0.060 25124 6724 1 10 . 1 1 81 81 MET CA C 81 52.889 52.889 55.034 -2.145 25124 6725 1 10 . 1 1 81 81 MET CB C 81 36.663 36.663 35.090 1.573 25124 6726 1 10 . 1 1 81 81 MET H H 81 9.028 9.028 8.179 0.849 25124 6727 1 10 . 1 1 82 82 THR N N 82 108.434 108.434 119.096 -10.662 25124 6728 1 10 . 1 1 82 82 THR HA H 82 5.134 5.134 4.821 0.313 25124 6729 1 10 . 1 1 82 82 THR C C 82 172.550 172.550 172.338 0.212 25124 6730 1 10 . 1 1 82 82 THR CA C 82 60.642 60.642 60.983 -0.341 25124 6731 1 10 . 1 1 82 82 THR CB C 82 68.843 68.843 70.699 -1.856 25124 6732 1 10 . 1 1 82 82 THR H H 82 7.098 7.098 8.121 -1.023 25124 6733 1 10 . 1 1 83 83 ALA N N 83 128.991 128.991 123.535 5.456 25124 6734 1 10 . 1 1 83 83 ALA HA H 83 4.678 4.678 4.734 -0.056 25124 6735 1 10 . 1 1 83 83 ALA C C 83 177.812 177.812 177.193 0.619 25124 6736 1 10 . 1 1 83 83 ALA CA C 83 52.457 52.457 49.962 2.495 25124 6737 1 10 . 1 1 83 83 ALA CB C 83 19.396 19.396 20.687 -1.291 25124 6738 1 10 . 1 1 83 83 ALA H H 83 8.590 8.590 8.318 0.272 25124 6739 1 10 . 1 1 84 84 HIS N N 84 121.904 121.904 114.775 7.129 25124 6740 1 10 . 1 1 84 84 HIS HA H 84 4.576 4.576 4.250 0.326 25124 6741 1 10 . 1 1 84 84 HIS C C 84 175.512 175.512 175.822 -0.310 25124 6742 1 10 . 1 1 84 84 HIS CA C 84 56.674 56.674 57.682 -1.008 25124 6743 1 10 . 1 1 84 84 HIS CB C 84 29.589 29.589 29.377 0.212 25124 6744 1 10 . 1 1 84 84 HIS H H 84 8.865 8.865 8.097 0.768 25124 6745 1 10 . 1 1 85 85 SER N N 85 114.679 114.679 116.694 -2.015 25124 6746 1 10 . 1 1 85 85 SER HA H 85 4.303 4.303 4.348 -0.045 25124 6747 1 10 . 1 1 85 85 SER C C 85 174.560 174.560 174.581 -0.021 25124 6748 1 10 . 1 1 85 85 SER CA C 85 58.970 58.970 59.597 -0.627 25124 6749 1 10 . 1 1 85 85 SER CB C 85 62.829 62.829 63.101 -0.272 25124 6750 1 10 . 1 1 85 85 SER H H 85 8.016 8.016 7.811 0.205 25124 6751 1 10 . 1 1 86 86 ASP N N 86 122.325 122.325 123.425 -1.100 25124 6752 1 10 . 1 1 86 86 ASP HA H 86 4.761 4.761 4.339 0.422 25124 6753 1 10 . 1 1 86 86 ASP C C 86 176.094 176.094 176.969 -0.875 25124 6754 1 10 . 1 1 86 86 ASP CA C 86 53.627 53.627 55.908 -2.281 25124 6755 1 10 . 1 1 86 86 ASP CB C 86 40.942 40.942 40.539 0.403 25124 6756 1 10 . 1 1 86 86 ASP H H 86 8.054 8.054 8.881 -0.827 25124 6757 1 10 . 1 1 87 87 LEU N N 87 122.041 122.041 119.688 2.353 25124 6758 1 10 . 1 1 87 87 LEU HA H 87 4.069 4.069 3.996 0.073 25124 6759 1 10 . 1 1 87 87 LEU C C 87 177.892 177.892 177.485 0.407 25124 6760 1 10 . 1 1 87 87 LEU CA C 87 57.182 57.182 57.394 -0.212 25124 6761 1 10 . 1 1 87 87 LEU CB C 87 42.015 42.015 41.947 0.068 25124 6762 1 10 . 1 1 87 87 LEU H H 87 8.005 8.005 7.884 0.121 25124 6763 1 10 . 1 1 88 88 ASP N N 88 118.050 118.050 120.421 -2.371 25124 6764 1 10 . 1 1 88 88 ASP HA H 88 4.370 4.370 4.236 0.134 25124 6765 1 10 . 1 1 88 88 ASP C C 88 178.103 178.103 177.544 0.559 25124 6766 1 10 . 1 1 88 88 ASP CA C 88 56.342 56.342 58.237 -1.895 25124 6767 1 10 . 1 1 88 88 ASP CB C 88 40.280 40.280 39.963 0.317 25124 6768 1 10 . 1 1 88 88 ASP H H 88 8.243 8.243 8.583 -0.340 25124 6769 1 10 . 1 1 89 89 ALA N N 89 122.780 122.780 121.182 1.598 25124 6770 1 10 . 1 1 89 89 ALA HA H 89 4.038 4.038 4.230 -0.192 25124 6771 1 10 . 1 1 89 89 ALA C C 89 178.526 178.526 178.654 -0.128 25124 6772 1 10 . 1 1 89 89 ALA CA C 89 54.655 54.655 53.962 0.692 25124 6773 1 10 . 1 1 89 89 ALA CB C 89 18.809 18.809 18.519 0.290 25124 6774 1 10 . 1 1 89 89 ALA H H 89 7.890 7.890 7.767 0.123 25124 6775 1 10 . 1 1 90 90 ALA N N 90 120.040 120.040 120.675 -0.635 25124 6776 1 10 . 1 1 90 90 ALA HA H 90 3.254 3.254 3.719 -0.465 25124 6777 1 10 . 1 1 90 90 ALA C C 90 178.976 178.976 179.432 -0.456 25124 6778 1 10 . 1 1 90 90 ALA CA C 90 55.050 55.050 54.684 0.367 25124 6779 1 10 . 1 1 90 90 ALA CB C 90 17.725 17.725 17.977 -0.252 25124 6780 1 10 . 1 1 90 90 ALA H H 90 7.513 7.513 7.835 -0.322 25124 6781 1 10 . 1 1 91 91 VAL N N 91 116.635 116.635 117.850 -1.215 25124 6782 1 10 . 1 1 91 91 VAL HA H 91 3.637 3.637 3.936 -0.299 25124 6783 1 10 . 1 1 91 91 VAL C C 91 178.632 178.632 177.656 0.976 25124 6784 1 10 . 1 1 91 91 VAL CA C 91 65.971 65.971 65.261 0.710 25124 6785 1 10 . 1 1 91 91 VAL CB C 91 31.623 31.623 31.744 -0.121 25124 6786 1 10 . 1 1 91 91 VAL H H 91 7.877 7.877 7.280 0.597 25124 6787 1 10 . 1 1 92 92 SER N N 92 115.439 115.439 116.844 -1.405 25124 6788 1 10 . 1 1 92 92 SER HA H 92 4.215 4.215 3.986 0.229 25124 6789 1 10 . 1 1 92 92 SER C C 92 175.961 175.961 176.682 -0.721 25124 6790 1 10 . 1 1 92 92 SER CA C 92 61.401 61.401 61.581 -0.180 25124 6791 1 10 . 1 1 92 92 SER CB C 92 62.966 62.966 62.849 0.117 25124 6792 1 10 . 1 1 92 92 SER H H 92 7.912 7.912 7.504 0.408 25124 6793 1 10 . 1 1 93 93 ALA N N 93 122.647 122.647 123.838 -1.191 25124 6794 1 10 . 1 1 93 93 ALA HA H 93 3.786 3.786 3.975 -0.189 25124 6795 1 10 . 1 1 93 93 ALA C C 93 179.293 179.293 179.556 -0.263 25124 6796 1 10 . 1 1 93 93 ALA CA C 93 55.172 55.172 54.846 0.326 25124 6797 1 10 . 1 1 93 93 ALA CB C 93 17.161 17.161 17.862 -0.701 25124 6798 1 10 . 1 1 93 93 ALA H H 93 8.199 8.199 8.322 -0.123 25124 6799 1 10 . 1 1 94 94 TYR N N 94 117.796 117.796 118.549 -0.753 25124 6800 1 10 . 1 1 94 94 TYR HA H 94 4.283 4.283 4.131 0.152 25124 6801 1 10 . 1 1 94 94 TYR C C 94 179.954 179.954 178.449 1.505 25124 6802 1 10 . 1 1 94 94 TYR CA C 94 61.216 61.216 60.833 0.383 25124 6803 1 10 . 1 1 94 94 TYR CB C 94 37.716 37.716 37.827 -0.111 25124 6804 1 10 . 1 1 94 94 TYR H H 94 8.065 8.065 7.445 0.620 25124 6805 1 10 . 1 1 95 95 GLN N N 95 120.057 120.057 116.063 3.994 25124 6806 1 10 . 1 1 95 95 GLN HA H 95 4.005 4.005 4.098 -0.093 25124 6807 1 10 . 1 1 95 95 GLN C C 95 177.680 177.680 178.275 -0.595 25124 6808 1 10 . 1 1 95 95 GLN CA C 95 58.471 58.471 57.987 0.484 25124 6809 1 10 . 1 1 95 95 GLN CB C 95 28.334 28.334 28.393 -0.059 25124 6810 1 10 . 1 1 95 95 GLN H H 95 8.513 8.513 7.596 0.917 25124 6811 1 10 . 1 1 96 96 GLN N N 96 115.323 115.323 117.263 -1.940 25124 6812 1 10 . 1 1 96 96 GLN HA H 96 4.321 4.321 4.330 -0.009 25124 6813 1 10 . 1 1 96 96 GLN C C 96 175.538 175.538 175.920 -0.382 25124 6814 1 10 . 1 1 96 96 GLN CA C 96 55.379 55.379 56.408 -1.029 25124 6815 1 10 . 1 1 96 96 GLN CB C 96 28.915 28.915 30.054 -1.139 25124 6816 1 10 . 1 1 96 96 GLN H H 96 7.774 7.774 7.995 -0.221 25124 6817 1 10 . 1 1 97 97 GLY N N 97 104.173 104.173 104.870 -0.697 25124 6818 1 10 . 1 1 97 97 GLY C C 97 175.168 175.168 173.432 1.736 25124 6819 1 10 . 1 1 97 97 GLY CA C 97 45.491 45.491 44.428 1.063 25124 6820 1 10 . 1 1 97 97 GLY H H 97 7.576 7.576 7.520 0.056 25124 6821 1 10 . 1 1 98 98 ALA N N 98 123.484 123.484 121.393 2.091 25124 6822 1 10 . 1 1 98 98 ALA HA H 98 4.266 4.266 4.529 -0.263 25124 6823 1 10 . 1 1 98 98 ALA C C 98 176.067 176.067 176.635 -0.568 25124 6824 1 10 . 1 1 98 98 ALA CA C 98 53.008 53.008 52.062 0.946 25124 6825 1 10 . 1 1 98 98 ALA CB C 98 18.556 18.556 19.940 -1.384 25124 6826 1 10 . 1 1 98 98 ALA H H 98 8.358 8.358 7.718 0.640 25124 6827 1 10 . 1 1 99 99 PHE N N 99 123.551 123.551 120.751 2.800 25124 6828 1 10 . 1 1 99 99 PHE HA H 99 4.259 4.259 4.710 -0.451 25124 6829 1 10 . 1 1 99 99 PHE C C 99 175.432 175.432 175.578 -0.146 25124 6830 1 10 . 1 1 99 99 PHE CA C 99 60.274 60.274 59.978 0.295 25124 6831 1 10 . 1 1 99 99 PHE CB C 99 40.375 40.375 40.921 -0.546 25124 6832 1 10 . 1 1 99 99 PHE H H 99 9.477 9.477 8.402 1.075 25124 6833 1 10 . 1 1 100 100 ASP N N 100 110.678 110.678 114.619 -3.941 25124 6834 1 10 . 1 1 100 100 ASP HA H 100 4.547 4.547 5.014 -0.467 25124 6835 1 10 . 1 1 100 100 ASP C C 100 173.053 173.053 173.812 -0.759 25124 6836 1 10 . 1 1 100 100 ASP CA C 100 52.527 52.527 54.153 -1.626 25124 6837 1 10 . 1 1 100 100 ASP CB C 100 44.789 44.789 44.448 0.341 25124 6838 1 10 . 1 1 100 100 ASP H H 100 7.683 7.683 7.944 -0.261 25124 6839 1 10 . 1 1 101 101 TYR N N 101 122.174 122.174 121.438 0.736 25124 6840 1 10 . 1 1 101 101 TYR HA H 101 5.425 5.425 5.191 0.234 25124 6841 1 10 . 1 1 101 101 TYR C C 101 172.550 172.550 174.512 -1.962 25124 6842 1 10 . 1 1 101 101 TYR CA C 101 55.865 55.865 56.342 -0.477 25124 6843 1 10 . 1 1 101 101 TYR CB C 101 41.760 41.760 39.617 2.143 25124 6844 1 10 . 1 1 101 101 TYR H H 101 9.874 9.874 8.577 1.297 25124 6845 1 10 . 1 1 102 102 LEU N N 102 129.337 129.337 129.666 -0.329 25124 6846 1 10 . 1 1 102 102 LEU HA H 102 4.677 4.677 4.705 -0.028 25124 6847 1 10 . 1 1 102 102 LEU CA C 102 50.418 50.418 50.605 -0.187 25124 6848 1 10 . 1 1 102 102 LEU CB C 102 45.066 45.066 43.660 1.406 25124 6849 1 10 . 1 1 102 102 LEU H H 102 8.974 8.974 7.922 1.052 25124 6850 1 10 . 1 1 103 103 PRO HA H 103 4.552 4.552 4.327 0.225 25124 6851 1 10 . 1 1 103 103 PRO C C 103 176.067 176.067 175.522 0.545 25124 6852 1 10 . 1 1 103 103 PRO CA C 103 61.951 61.951 62.188 -0.237 25124 6853 1 10 . 1 1 103 103 PRO CB C 103 31.829 31.829 32.227 -0.398 25124 6854 1 10 . 1 1 104 104 LYS N N 104 118.403 118.403 120.260 -1.857 25124 6855 1 10 . 1 1 104 104 LYS HA H 104 4.459 4.459 4.988 -0.529 25124 6856 1 10 . 1 1 104 104 LYS CA C 104 53.204 53.204 53.572 -0.368 25124 6857 1 10 . 1 1 104 104 LYS CB C 104 34.500 34.500 31.716 2.784 25124 6858 1 10 . 1 1 104 104 LYS H H 104 8.013 8.013 8.122 -0.109 25124 6859 1 10 . 1 1 105 105 PRO HA H 105 4.258 4.258 4.507 -0.249 25124 6860 1 10 . 1 1 105 105 PRO C C 105 174.930 174.930 175.994 -1.064 25124 6861 1 10 . 1 1 105 105 PRO CA C 105 62.213 62.213 63.106 -0.893 25124 6862 1 10 . 1 1 105 105 PRO CB C 105 34.151 34.151 31.926 2.225 25124 6863 1 10 . 1 1 106 106 PHE N N 106 116.796 116.796 120.269 -3.473 25124 6864 1 10 . 1 1 106 106 PHE HA H 106 5.169 5.169 4.757 0.412 25124 6865 1 10 . 1 1 106 106 PHE C C 106 175.194 175.194 174.550 0.644 25124 6866 1 10 . 1 1 106 106 PHE CA C 106 53.244 53.244 55.131 -1.887 25124 6867 1 10 . 1 1 106 106 PHE CB C 106 40.477 40.477 41.046 -0.569 25124 6868 1 10 . 1 1 106 106 PHE H H 106 7.399 7.399 7.531 -0.132 25124 6869 1 10 . 1 1 107 107 ASP N N 107 122.212 122.212 122.953 -0.741 25124 6870 1 10 . 1 1 107 107 ASP HA H 107 4.823 4.823 4.847 -0.024 25124 6871 1 10 . 1 1 107 107 ASP C C 107 177.812 177.812 177.285 0.527 25124 6872 1 10 . 1 1 107 107 ASP CA C 107 53.392 53.392 53.727 -0.335 25124 6873 1 10 . 1 1 107 107 ASP CB C 107 42.455 42.455 41.479 0.976 25124 6874 1 10 . 1 1 107 107 ASP H H 107 9.047 9.047 8.714 0.333 25124 6875 1 10 . 1 1 108 108 ILE N N 108 127.963 127.963 122.449 5.514 25124 6876 1 10 . 1 1 108 108 ILE HA H 108 3.949 3.949 3.975 -0.026 25124 6877 1 10 . 1 1 108 108 ILE C C 108 176.226 176.226 177.019 -0.793 25124 6878 1 10 . 1 1 108 108 ILE CA C 108 63.105 63.105 64.086 -0.981 25124 6879 1 10 . 1 1 108 108 ILE CB C 108 37.665 37.665 37.336 0.330 25124 6880 1 10 . 1 1 108 108 ILE H H 108 8.898 8.898 8.457 0.441 25124 6881 1 10 . 1 1 109 109 ASP N N 109 119.804 119.804 121.153 -1.349 25124 6882 1 10 . 1 1 109 109 ASP HA H 109 4.393 4.393 4.307 0.086 25124 6883 1 10 . 1 1 109 109 ASP C C 109 179.848 179.848 178.631 1.217 25124 6884 1 10 . 1 1 109 109 ASP CA C 109 57.483 57.483 58.365 -0.882 25124 6885 1 10 . 1 1 109 109 ASP CB C 109 39.986 39.986 40.473 -0.487 25124 6886 1 10 . 1 1 109 109 ASP H H 109 8.098 8.098 8.513 -0.415 25124 6887 1 10 . 1 1 110 110 GLU N N 110 121.667 121.667 118.926 2.741 25124 6888 1 10 . 1 1 110 110 GLU HA H 110 4.085 4.085 4.299 -0.214 25124 6889 1 10 . 1 1 110 110 GLU C C 110 178.976 178.976 178.027 0.949 25124 6890 1 10 . 1 1 110 110 GLU CA C 110 58.790 58.790 58.198 0.592 25124 6891 1 10 . 1 1 110 110 GLU CB C 110 29.330 29.330 29.942 -0.612 25124 6892 1 10 . 1 1 110 110 GLU H H 110 8.059 8.059 8.168 -0.109 25124 6893 1 10 . 1 1 111 111 ALA N N 111 122.208 122.208 123.462 -1.254 25124 6894 1 10 . 1 1 111 111 ALA HA H 111 3.758 3.758 4.166 -0.408 25124 6895 1 10 . 1 1 111 111 ALA C C 111 178.605 178.605 179.474 -0.869 25124 6896 1 10 . 1 1 111 111 ALA CA C 111 55.320 55.320 55.227 0.092 25124 6897 1 10 . 1 1 111 111 ALA CB C 111 18.174 18.174 18.555 -0.381 25124 6898 1 10 . 1 1 111 111 ALA H H 111 7.903 7.903 7.524 0.379 25124 6899 1 10 . 1 1 112 112 VAL N N 112 116.429 116.429 118.142 -1.713 25124 6900 1 10 . 1 1 112 112 VAL HA H 112 3.194 3.194 3.636 -0.442 25124 6901 1 10 . 1 1 112 112 VAL C C 112 177.230 177.230 178.059 -0.829 25124 6902 1 10 . 1 1 112 112 VAL CA C 112 67.154 67.154 67.036 0.118 25124 6903 1 10 . 1 1 112 112 VAL CB C 112 31.538 31.538 31.089 0.449 25124 6904 1 10 . 1 1 112 112 VAL H H 112 8.032 8.032 8.731 -0.699 25124 6905 1 10 . 1 1 113 113 ALA N N 113 120.198 120.198 119.605 0.593 25124 6906 1 10 . 1 1 113 113 ALA HA H 113 4.159 4.159 4.238 -0.079 25124 6907 1 10 . 1 1 113 113 ALA C C 113 180.589 180.589 179.202 1.387 25124 6908 1 10 . 1 1 113 113 ALA CA C 113 54.902 54.902 53.929 0.973 25124 6909 1 10 . 1 1 113 113 ALA CB C 113 17.980 17.980 18.789 -0.809 25124 6910 1 10 . 1 1 113 113 ALA H H 113 7.723 7.723 7.735 -0.012 25124 6911 1 10 . 1 1 114 114 LEU N N 114 120.742 120.742 120.584 0.158 25124 6912 1 10 . 1 1 114 114 LEU HA H 114 4.102 4.102 4.135 -0.033 25124 6913 1 10 . 1 1 114 114 LEU C C 114 178.605 178.605 178.310 0.295 25124 6914 1 10 . 1 1 114 114 LEU CA C 114 58.181 58.181 57.332 0.849 25124 6915 1 10 . 1 1 114 114 LEU CB C 114 42.032 42.032 42.139 -0.106 25124 6916 1 10 . 1 1 114 114 LEU H H 114 7.928 7.928 7.420 0.508 25124 6917 1 10 . 1 1 115 115 VAL N N 115 119.478 119.478 118.250 1.228 25124 6918 1 10 . 1 1 115 115 VAL HA H 115 3.250 3.250 3.423 -0.173 25124 6919 1 10 . 1 1 115 115 VAL C C 115 177.548 177.548 177.616 -0.068 25124 6920 1 10 . 1 1 115 115 VAL CA C 115 67.168 67.168 67.356 -0.188 25124 6921 1 10 . 1 1 115 115 VAL CB C 115 30.760 30.760 31.721 -0.961 25124 6922 1 10 . 1 1 115 115 VAL H H 115 7.846 7.846 8.400 -0.554 25124 6923 1 10 . 1 1 116 116 GLU N N 116 117.570 117.570 116.983 0.587 25124 6924 1 10 . 1 1 116 116 GLU HA H 116 3.809 3.809 4.112 -0.303 25124 6925 1 10 . 1 1 116 116 GLU C C 116 179.557 179.557 178.143 1.414 25124 6926 1 10 . 1 1 116 116 GLU CA C 116 59.974 59.974 58.191 1.783 25124 6927 1 10 . 1 1 116 116 GLU CB C 116 29.084 29.084 28.914 0.170 25124 6928 1 10 . 1 1 116 116 GLU H H 116 8.462 8.462 7.839 0.623 25124 6929 1 10 . 1 1 117 117 ARG N N 117 120.263 120.263 120.364 -0.101 25124 6930 1 10 . 1 1 117 117 ARG HA H 117 4.109 4.109 4.011 0.098 25124 6931 1 10 . 1 1 117 117 ARG C C 117 178.500 178.500 178.276 0.224 25124 6932 1 10 . 1 1 117 117 ARG CA C 117 59.411 59.411 59.560 -0.149 25124 6933 1 10 . 1 1 117 117 ARG CB C 117 30.414 30.414 30.211 0.203 25124 6934 1 10 . 1 1 117 117 ARG H H 117 8.090 8.090 7.688 0.402 25124 6935 1 10 . 1 1 118 118 ALA N N 118 122.157 122.157 119.426 2.731 25124 6936 1 10 . 1 1 118 118 ALA HA H 118 3.467 3.467 4.394 -0.927 25124 6937 1 10 . 1 1 118 118 ALA C C 118 178.632 178.632 179.963 -1.331 25124 6938 1 10 . 1 1 118 118 ALA CA C 118 54.739 54.739 54.389 0.350 25124 6939 1 10 . 1 1 118 118 ALA CB C 118 18.280 18.280 18.375 -0.095 25124 6940 1 10 . 1 1 118 118 ALA H H 118 8.005 8.005 7.198 0.807 25124 6941 1 10 . 1 1 119 119 ILE N N 119 115.429 115.429 119.015 -3.586 25124 6942 1 10 . 1 1 119 119 ILE HA H 119 3.706 3.706 3.873 -0.167 25124 6943 1 10 . 1 1 119 119 ILE C C 119 177.442 177.442 177.197 0.245 25124 6944 1 10 . 1 1 119 119 ILE CA C 119 63.910 63.910 64.404 -0.494 25124 6945 1 10 . 1 1 119 119 ILE CB C 119 37.939 37.939 37.585 0.354 25124 6946 1 10 . 1 1 119 119 ILE H H 119 7.788 7.788 7.479 0.309 25124 6947 1 10 . 1 1 120 120 SER N N 120 114.902 114.902 114.793 0.109 25124 6948 1 10 . 1 1 120 120 SER HA H 120 4.285 4.285 4.168 0.117 25124 6949 1 10 . 1 1 120 120 SER C C 120 175.142 175.142 176.544 -1.402 25124 6950 1 10 . 1 1 120 120 SER CA C 120 59.871 59.871 61.460 -1.589 25124 6951 1 10 . 1 1 120 120 SER CB C 120 63.522 63.522 63.279 0.243 25124 6952 1 10 . 1 1 120 120 SER H H 120 7.881 7.881 8.367 -0.486 25124 6953 1 10 . 1 1 121 121 HIS N N 121 119.927 119.927 122.933 -3.006 25124 6954 1 10 . 1 1 121 121 HIS HA H 121 4.439 4.439 4.409 0.030 25124 6955 1 10 . 1 1 121 121 HIS C C 121 174.957 174.957 175.687 -0.730 25124 6956 1 10 . 1 1 121 121 HIS CA C 121 57.362 57.362 57.939 -0.577 25124 6957 1 10 . 1 1 121 121 HIS CB C 121 29.496 29.496 30.322 -0.826 25124 6958 1 10 . 1 1 121 121 HIS H H 121 7.960 7.960 7.968 -0.008 25124 6959 1 10 . 1 1 122 122 TYR N N 122 118.745 118.745 118.769 -0.024 25124 6960 1 10 . 1 1 122 122 TYR HA H 122 4.455 4.455 4.555 -0.100 25124 6961 1 10 . 1 1 122 122 TYR C C 122 175.353 175.353 174.721 0.632 25124 6962 1 10 . 1 1 122 122 TYR CA C 122 58.528 58.528 56.840 1.688 25124 6963 1 10 . 1 1 122 122 TYR CB C 122 38.726 38.726 36.648 2.078 25124 6964 1 10 . 1 1 122 122 TYR H H 122 7.776 7.776 7.465 0.311 25124 6965 1 10 . 1 1 123 123 GLN N N 123 121.424 121.424 119.523 1.901 25124 6966 1 10 . 1 1 123 123 GLN HA H 123 4.294 4.294 4.133 0.161 25124 6967 1 10 . 1 1 123 123 GLN C C 123 174.560 174.560 175.656 -1.096 25124 6968 1 10 . 1 1 123 123 GLN CA C 123 55.658 55.658 56.199 -0.541 25124 6969 1 10 . 1 1 123 123 GLN CB C 123 29.877 29.877 29.370 0.507 25124 6970 1 10 . 1 1 123 123 GLN H H 123 7.904 7.904 7.769 0.135 25124 6971 1 11 . 1 1 2 2 GLN HA H 2 4.453 4.453 4.595 -0.142 25124 6972 1 11 . 1 1 2 2 GLN C C 2 174.930 174.930 174.410 0.520 25124 6973 1 11 . 1 1 2 2 GLN CA C 2 55.627 55.627 55.861 -0.234 25124 6974 1 11 . 1 1 2 2 GLN CB C 2 29.312 29.312 29.259 0.054 25124 6975 1 11 . 1 1 3 3 ARG N N 3 121.349 121.349 121.587 -0.238 25124 6976 1 11 . 1 1 3 3 ARG HA H 3 4.390 4.390 4.589 -0.199 25124 6977 1 11 . 1 1 3 3 ARG C C 3 175.723 175.723 174.251 1.472 25124 6978 1 11 . 1 1 3 3 ARG CA C 3 56.041 56.041 56.253 -0.212 25124 6979 1 11 . 1 1 3 3 ARG CB C 3 31.395 31.395 31.350 0.045 25124 6980 1 11 . 1 1 3 3 ARG H H 3 8.451 8.451 8.183 0.268 25124 6981 1 11 . 1 1 4 4 GLY N N 4 107.889 107.889 106.749 1.140 25124 6982 1 11 . 1 1 4 4 GLY C C 4 171.122 171.122 173.313 -2.191 25124 6983 1 11 . 1 1 4 4 GLY CA C 4 45.333 45.333 44.619 0.714 25124 6984 1 11 . 1 1 4 4 GLY H H 4 8.037 8.037 8.208 -0.171 25124 6985 1 11 . 1 1 5 5 ILE N N 5 122.674 122.674 121.952 0.722 25124 6986 1 11 . 1 1 5 5 ILE HA H 5 4.731 4.731 3.915 0.816 25124 6987 1 11 . 1 1 5 5 ILE C C 5 175.459 175.459 174.579 0.880 25124 6988 1 11 . 1 1 5 5 ILE CA C 5 60.614 60.614 62.440 -1.826 25124 6989 1 11 . 1 1 5 5 ILE CB C 5 39.535 39.535 37.276 2.259 25124 6990 1 11 . 1 1 5 5 ILE H H 5 9.605 9.605 8.351 1.254 25124 6991 1 11 . 1 1 6 6 VAL N N 6 127.532 127.532 128.275 -0.743 25124 6992 1 11 . 1 1 6 6 VAL HA H 6 4.892 4.892 4.265 0.627 25124 6993 1 11 . 1 1 6 6 VAL C C 6 174.110 174.110 174.524 -0.414 25124 6994 1 11 . 1 1 6 6 VAL CA C 6 59.255 59.255 61.363 -2.108 25124 6995 1 11 . 1 1 6 6 VAL CB C 6 34.530 34.530 31.745 2.784 25124 6996 1 11 . 1 1 6 6 VAL H H 6 9.135 9.135 8.115 1.020 25124 6997 1 11 . 1 1 7 7 TRP N N 7 127.409 127.409 127.916 -0.507 25124 6998 1 11 . 1 1 7 7 TRP HA H 7 6.447 6.447 4.842 1.605 25124 6999 1 11 . 1 1 7 7 TRP C C 7 175.089 175.089 174.931 0.158 25124 7000 1 11 . 1 1 7 7 TRP CA C 7 52.797 52.797 54.587 -1.790 25124 7001 1 11 . 1 1 7 7 TRP CB C 7 33.255 33.255 30.629 2.626 25124 7002 1 11 . 1 1 7 7 TRP H H 7 8.544 8.544 8.481 0.063 25124 7003 1 11 . 1 1 8 8 VAL N N 8 122.270 122.270 124.370 -2.100 25124 7004 1 11 . 1 1 8 8 VAL HA H 8 5.135 5.135 4.421 0.714 25124 7005 1 11 . 1 1 8 8 VAL C C 8 173.820 173.820 174.090 -0.270 25124 7006 1 11 . 1 1 8 8 VAL CA C 8 60.457 60.457 61.853 -1.396 25124 7007 1 11 . 1 1 8 8 VAL CB C 8 35.893 35.893 34.193 1.700 25124 7008 1 11 . 1 1 8 8 VAL H H 8 8.643 8.643 8.206 0.437 25124 7009 1 11 . 1 1 9 9 VAL N N 9 126.806 126.806 129.205 -2.399 25124 7010 1 11 . 1 1 9 9 VAL HA H 9 5.192 5.192 4.347 0.845 25124 7011 1 11 . 1 1 9 9 VAL C C 9 172.550 172.550 173.758 -1.208 25124 7012 1 11 . 1 1 9 9 VAL CA C 9 58.384 58.384 61.449 -3.065 25124 7013 1 11 . 1 1 9 9 VAL CB C 9 34.135 34.135 32.504 1.631 25124 7014 1 11 . 1 1 9 9 VAL H H 9 9.113 9.113 8.516 0.597 25124 7015 1 11 . 1 1 10 10 ASP N N 10 125.011 125.011 125.327 -0.316 25124 7016 1 11 . 1 1 10 10 ASP HA H 10 4.554 4.554 4.774 -0.220 25124 7017 1 11 . 1 1 10 10 ASP C C 10 174.877 174.877 174.020 0.857 25124 7018 1 11 . 1 1 10 10 ASP CA C 10 55.066 55.066 52.981 2.085 25124 7019 1 11 . 1 1 10 10 ASP CB C 10 44.131 44.131 44.005 0.126 25124 7020 1 11 . 1 1 10 10 ASP H H 10 7.881 7.881 7.893 -0.012 25124 7021 1 11 . 1 1 11 11 ASP N N 11 124.048 124.048 119.982 4.066 25124 7022 1 11 . 1 1 11 11 ASP HA H 11 4.613 4.613 4.848 -0.235 25124 7023 1 11 . 1 1 11 11 ASP C C 11 175.089 175.089 174.901 0.188 25124 7024 1 11 . 1 1 11 11 ASP CA C 11 55.346 55.346 54.435 0.911 25124 7025 1 11 . 1 1 11 11 ASP CB C 11 39.583 39.583 41.121 -1.538 25124 7026 1 11 . 1 1 11 11 ASP H H 11 9.166 9.166 8.541 0.625 25124 7027 1 11 . 1 1 12 12 ASP N N 12 125.165 125.165 120.865 4.300 25124 7028 1 11 . 1 1 12 12 ASP HA H 12 4.757 4.757 4.744 0.013 25124 7029 1 11 . 1 1 12 12 ASP C C 12 176.993 176.993 176.062 0.931 25124 7030 1 11 . 1 1 12 12 ASP CA C 12 53.112 53.112 53.656 -0.544 25124 7031 1 11 . 1 1 12 12 ASP CB C 12 41.072 41.072 44.393 -3.321 25124 7032 1 11 . 1 1 12 12 ASP H H 12 10.290 10.290 7.569 2.721 25124 7033 1 11 . 1 1 13 13 SER N N 13 123.818 123.818 120.694 3.124 25124 7034 1 11 . 1 1 13 13 SER HA H 13 3.719 3.719 4.320 -0.601 25124 7035 1 11 . 1 1 13 13 SER C C 13 176.146 176.146 175.875 0.271 25124 7036 1 11 . 1 1 13 13 SER CA C 13 61.341 61.341 60.473 0.868 25124 7037 1 11 . 1 1 13 13 SER CB C 13 62.638 62.638 63.667 -1.030 25124 7038 1 11 . 1 1 13 13 SER H H 13 8.993 8.993 8.680 0.313 25124 7039 1 11 . 1 1 14 14 SER N N 14 118.714 118.714 118.401 0.313 25124 7040 1 11 . 1 1 14 14 SER HA H 14 4.322 4.322 4.399 -0.077 25124 7041 1 11 . 1 1 14 14 SER C C 14 176.411 176.411 176.243 0.168 25124 7042 1 11 . 1 1 14 14 SER CA C 14 61.717 61.717 61.293 0.424 25124 7043 1 11 . 1 1 14 14 SER CB C 14 62.554 62.554 62.862 -0.308 25124 7044 1 11 . 1 1 14 14 SER H H 14 8.499 8.499 7.779 0.720 25124 7045 1 11 . 1 1 15 15 ILE N N 15 122.822 122.822 122.007 0.815 25124 7046 1 11 . 1 1 15 15 ILE HA H 15 3.972 3.972 3.776 0.196 25124 7047 1 11 . 1 1 15 15 ILE C C 15 177.786 177.786 178.090 -0.304 25124 7048 1 11 . 1 1 15 15 ILE CA C 15 60.784 60.784 63.345 -2.561 25124 7049 1 11 . 1 1 15 15 ILE CB C 15 36.016 36.016 36.446 -0.430 25124 7050 1 11 . 1 1 15 15 ILE H H 15 7.011 7.011 8.360 -1.349 25124 7051 1 11 . 1 1 16 16 ARG N N 16 116.580 116.580 118.302 -1.722 25124 7052 1 11 . 1 1 16 16 ARG HA H 16 3.711 3.711 4.198 -0.487 25124 7053 1 11 . 1 1 16 16 ARG C C 16 177.336 177.336 178.619 -1.283 25124 7054 1 11 . 1 1 16 16 ARG CA C 16 61.632 61.632 59.245 2.386 25124 7055 1 11 . 1 1 16 16 ARG CB C 16 30.520 30.520 30.239 0.281 25124 7056 1 11 . 1 1 16 16 ARG H H 16 7.370 7.370 7.653 -0.283 25124 7057 1 11 . 1 1 17 17 TRP N N 17 116.893 116.893 122.834 -5.941 25124 7058 1 11 . 1 1 17 17 TRP HA H 17 4.481 4.481 4.370 0.111 25124 7059 1 11 . 1 1 17 17 TRP C C 17 178.394 178.394 177.725 0.669 25124 7060 1 11 . 1 1 17 17 TRP CA C 17 60.482 60.482 61.913 -1.431 25124 7061 1 11 . 1 1 17 17 TRP CB C 17 29.372 29.372 29.232 0.140 25124 7062 1 11 . 1 1 17 17 TRP H H 17 8.020 8.020 7.746 0.274 25124 7063 1 11 . 1 1 18 18 VAL N N 18 116.799 116.799 116.970 -0.171 25124 7064 1 11 . 1 1 18 18 VAL HA H 18 3.662 3.662 2.688 0.974 25124 7065 1 11 . 1 1 18 18 VAL C C 18 179.161 179.161 177.721 1.440 25124 7066 1 11 . 1 1 18 18 VAL CA C 18 65.858 65.858 66.028 -0.170 25124 7067 1 11 . 1 1 18 18 VAL CB C 18 31.792 31.792 30.915 0.877 25124 7068 1 11 . 1 1 18 18 VAL H H 18 8.085 8.085 8.313 -0.228 25124 7069 1 11 . 1 1 19 19 LEU N N 19 119.595 119.595 119.720 -0.125 25124 7070 1 11 . 1 1 19 19 LEU HA H 19 4.083 4.083 3.888 0.195 25124 7071 1 11 . 1 1 19 19 LEU C C 19 177.759 177.759 178.610 -0.851 25124 7072 1 11 . 1 1 19 19 LEU CA C 19 57.971 57.971 57.773 0.198 25124 7073 1 11 . 1 1 19 19 LEU CB C 19 41.863 41.863 41.693 0.170 25124 7074 1 11 . 1 1 19 19 LEU H H 19 8.035 8.035 7.276 0.759 25124 7075 1 11 . 1 1 20 20 GLU N N 20 120.318 120.318 120.179 0.139 25124 7076 1 11 . 1 1 20 20 GLU HA H 20 4.007 4.007 3.873 0.134 25124 7077 1 11 . 1 1 20 20 GLU C C 20 178.500 178.500 179.014 -0.514 25124 7078 1 11 . 1 1 20 20 GLU CA C 20 60.567 60.567 59.545 1.022 25124 7079 1 11 . 1 1 20 20 GLU CB C 20 29.073 29.073 29.589 -0.516 25124 7080 1 11 . 1 1 20 20 GLU H H 20 8.417 8.417 8.066 0.351 25124 7081 1 11 . 1 1 21 21 ARG N N 21 115.981 115.981 116.987 -1.006 25124 7082 1 11 . 1 1 21 21 ARG HA H 21 3.898 3.898 3.935 -0.037 25124 7083 1 11 . 1 1 21 21 ARG C C 21 179.769 179.769 177.841 1.928 25124 7084 1 11 . 1 1 21 21 ARG CA C 21 58.491 58.491 58.515 -0.024 25124 7085 1 11 . 1 1 21 21 ARG CB C 21 29.966 29.966 29.455 0.511 25124 7086 1 11 . 1 1 21 21 ARG H H 21 7.579 7.579 8.197 -0.618 25124 7087 1 11 . 1 1 22 22 ALA N N 22 122.267 122.267 121.980 0.287 25124 7088 1 11 . 1 1 22 22 ALA HA H 22 4.110 4.110 4.106 0.004 25124 7089 1 11 . 1 1 22 22 ALA C C 22 180.456 180.456 179.233 1.223 25124 7090 1 11 . 1 1 22 22 ALA CA C 22 54.643 54.643 54.193 0.450 25124 7091 1 11 . 1 1 22 22 ALA CB C 22 19.225 19.225 19.243 -0.018 25124 7092 1 11 . 1 1 22 22 ALA H H 22 7.933 7.933 7.529 0.404 25124 7093 1 11 . 1 1 23 23 LEU N N 23 118.139 118.139 120.097 -1.958 25124 7094 1 11 . 1 1 23 23 LEU HA H 23 4.005 4.005 3.934 0.071 25124 7095 1 11 . 1 1 23 23 LEU C C 23 178.843 178.843 179.158 -0.315 25124 7096 1 11 . 1 1 23 23 LEU CA C 23 57.765 57.765 58.010 -0.245 25124 7097 1 11 . 1 1 23 23 LEU CB C 23 39.919 39.919 41.419 -1.500 25124 7098 1 11 . 1 1 23 23 LEU H H 23 8.855 8.855 8.755 0.100 25124 7099 1 11 . 1 1 24 24 ALA N N 24 122.164 122.164 120.441 1.723 25124 7100 1 11 . 1 1 24 24 ALA HA H 24 4.665 4.665 4.027 0.638 25124 7101 1 11 . 1 1 24 24 ALA C C 24 183.206 183.206 179.762 3.444 25124 7102 1 11 . 1 1 24 24 ALA CA C 24 54.812 54.812 54.704 0.108 25124 7103 1 11 . 1 1 24 24 ALA CB C 24 17.820 17.820 18.270 -0.451 25124 7104 1 11 . 1 1 24 24 ALA H H 24 8.238 8.238 8.166 0.072 25124 7105 1 11 . 1 1 25 25 GLY N N 25 106.903 106.903 105.789 1.114 25124 7106 1 11 . 1 1 25 25 GLY C C 25 174.375 174.375 175.376 -1.001 25124 7107 1 11 . 1 1 25 25 GLY CA C 25 46.550 46.550 45.350 1.200 25124 7108 1 11 . 1 1 25 25 GLY H H 25 7.907 7.907 7.552 0.355 25124 7109 1 11 . 1 1 26 26 ALA N N 26 121.832 121.832 122.253 -0.421 25124 7110 1 11 . 1 1 26 26 ALA HA H 26 4.505 4.505 4.226 0.279 25124 7111 1 11 . 1 1 26 26 ALA CA C 26 51.585 51.585 52.580 -0.995 25124 7112 1 11 . 1 1 26 26 ALA CB C 26 18.799 18.799 19.409 -0.610 25124 7113 1 11 . 1 1 26 26 ALA H H 26 7.316 7.316 7.985 -0.669 25124 7114 1 11 . 1 1 27 27 GLY N N 27 106.146 106.146 105.560 0.586 25124 7115 1 11 . 1 1 27 27 GLY C C 27 174.057 174.057 174.530 -0.473 25124 7116 1 11 . 1 1 27 27 GLY CA C 27 45.333 45.333 44.876 0.457 25124 7117 1 11 . 1 1 27 27 GLY H H 27 7.868 7.868 8.159 -0.291 25124 7118 1 11 . 1 1 28 28 LEU N N 28 120.273 120.273 122.003 -1.730 25124 7119 1 11 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.156 0.419 25124 7120 1 11 . 1 1 28 28 LEU C C 28 175.988 175.988 176.881 -0.893 25124 7121 1 11 . 1 1 28 28 LEU CA C 28 53.881 53.881 54.825 -0.944 25124 7122 1 11 . 1 1 28 28 LEU CB C 28 42.540 42.540 42.006 0.534 25124 7123 1 11 . 1 1 28 28 LEU H H 28 7.659 7.659 7.553 0.106 25124 7124 1 11 . 1 1 29 29 THR N N 29 118.173 118.173 118.589 -0.416 25124 7125 1 11 . 1 1 29 29 THR HA H 29 4.346 4.346 4.199 0.147 25124 7126 1 11 . 1 1 29 29 THR C C 29 173.344 173.344 173.890 -0.546 25124 7127 1 11 . 1 1 29 29 THR CA C 29 62.598 62.598 63.693 -1.095 25124 7128 1 11 . 1 1 29 29 THR CB C 29 69.423 69.423 68.603 0.820 25124 7129 1 11 . 1 1 29 29 THR H H 29 8.562 8.562 8.202 0.360 25124 7130 1 11 . 1 1 30 30 CYS N N 30 128.450 128.450 127.752 0.698 25124 7131 1 11 . 1 1 30 30 CYS HA H 30 6.012 6.012 4.740 1.272 25124 7132 1 11 . 1 1 30 30 CYS C C 30 173.978 173.978 174.248 -0.270 25124 7133 1 11 . 1 1 30 30 CYS CA C 30 56.424 56.424 57.767 -1.343 25124 7134 1 11 . 1 1 30 30 CYS CB C 30 29.615 29.615 29.386 0.229 25124 7135 1 11 . 1 1 30 30 CYS H H 30 9.035 9.035 8.623 0.412 25124 7136 1 11 . 1 1 31 31 THR N N 31 126.377 126.377 123.173 3.204 25124 7137 1 11 . 1 1 31 31 THR HA H 31 4.442 4.442 4.497 -0.055 25124 7138 1 11 . 1 1 31 31 THR C C 31 172.683 172.683 172.470 0.213 25124 7139 1 11 . 1 1 31 31 THR CA C 31 61.956 61.956 61.694 0.262 25124 7140 1 11 . 1 1 31 31 THR CB C 31 70.624 70.624 71.696 -1.072 25124 7141 1 11 . 1 1 31 31 THR H H 31 8.510 8.510 8.439 0.071 25124 7142 1 11 . 1 1 32 32 THR N N 32 115.988 115.988 113.972 2.016 25124 7143 1 11 . 1 1 32 32 THR HA H 32 5.454 5.454 4.828 0.626 25124 7144 1 11 . 1 1 32 32 THR C C 32 172.259 172.259 172.415 -0.156 25124 7145 1 11 . 1 1 32 32 THR CA C 32 59.101 59.101 60.811 -1.710 25124 7146 1 11 . 1 1 32 32 THR CB C 32 71.173 71.173 71.231 -0.058 25124 7147 1 11 . 1 1 32 32 THR H H 32 8.301 8.301 7.805 0.496 25124 7148 1 11 . 1 1 33 33 PHE N N 33 117.690 117.690 121.074 -3.384 25124 7149 1 11 . 1 1 33 33 PHE HA H 33 4.723 4.723 4.657 0.066 25124 7150 1 11 . 1 1 33 33 PHE C C 33 174.507 174.507 175.214 -0.707 25124 7151 1 11 . 1 1 33 33 PHE CA C 33 56.504 56.504 58.561 -2.057 25124 7152 1 11 . 1 1 33 33 PHE CB C 33 43.589 43.589 40.173 3.416 25124 7153 1 11 . 1 1 33 33 PHE H H 33 8.834 8.834 8.635 0.199 25124 7154 1 11 . 1 1 34 34 GLU N N 34 118.296 118.296 115.437 2.859 25124 7155 1 11 . 1 1 34 34 GLU HA H 34 4.451 4.451 4.340 0.111 25124 7156 1 11 . 1 1 34 34 GLU C C 34 174.957 174.957 174.791 0.166 25124 7157 1 11 . 1 1 34 34 GLU CA C 34 56.661 56.661 57.101 -0.440 25124 7158 1 11 . 1 1 34 34 GLU CB C 34 31.792 31.792 31.057 0.735 25124 7159 1 11 . 1 1 34 34 GLU H H 34 9.096 9.096 8.367 0.729 25124 7160 1 11 . 1 1 35 35 ASN N N 35 108.486 108.486 116.991 -8.505 25124 7161 1 11 . 1 1 35 35 ASN HA H 35 4.960 4.960 4.868 0.092 25124 7162 1 11 . 1 1 35 35 ASN C C 35 175.353 175.353 176.113 -0.760 25124 7163 1 11 . 1 1 35 35 ASN CA C 35 52.364 52.364 51.645 0.718 25124 7164 1 11 . 1 1 35 35 ASN CB C 35 40.932 40.932 39.779 1.153 25124 7165 1 11 . 1 1 35 35 ASN H H 35 7.286 7.286 7.872 -0.586 25124 7166 1 11 . 1 1 36 36 GLY N N 36 105.329 105.329 107.682 -2.353 25124 7167 1 11 . 1 1 36 36 GLY C C 36 174.586 174.586 175.352 -0.766 25124 7168 1 11 . 1 1 36 36 GLY CA C 36 47.533 47.533 47.201 0.332 25124 7169 1 11 . 1 1 36 36 GLY H H 36 9.369 9.369 8.875 0.494 25124 7170 1 11 . 1 1 37 37 ASN N N 37 120.396 120.396 118.034 2.362 25124 7171 1 11 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.300 0.062 25124 7172 1 11 . 1 1 37 37 ASN C C 37 178.791 178.791 177.146 1.645 25124 7173 1 11 . 1 1 37 37 ASN CA C 37 56.843 56.843 55.800 1.043 25124 7174 1 11 . 1 1 37 37 ASN CB C 37 37.716 37.716 37.862 -0.146 25124 7175 1 11 . 1 1 37 37 ASN H H 37 8.440 8.440 8.081 0.359 25124 7176 1 11 . 1 1 38 38 GLU N N 38 119.334 119.334 119.179 0.155 25124 7177 1 11 . 1 1 38 38 GLU HA H 38 4.058 4.058 3.909 0.149 25124 7178 1 11 . 1 1 38 38 GLU C C 38 179.372 179.372 178.895 0.477 25124 7179 1 11 . 1 1 38 38 GLU CA C 38 58.790 58.790 59.247 -0.457 25124 7180 1 11 . 1 1 38 38 GLU CB C 38 30.692 30.692 29.589 1.103 25124 7181 1 11 . 1 1 38 38 GLU H H 38 8.063 8.063 8.125 -0.062 25124 7182 1 11 . 1 1 39 39 VAL N N 39 119.047 119.047 120.064 -1.017 25124 7183 1 11 . 1 1 39 39 VAL HA H 39 2.599 2.599 2.796 -0.197 25124 7184 1 11 . 1 1 39 39 VAL C C 39 176.807 176.807 177.980 -1.173 25124 7185 1 11 . 1 1 39 39 VAL CA C 39 65.222 65.222 65.513 -0.291 25124 7186 1 11 . 1 1 39 39 VAL CB C 39 31.078 31.078 31.032 0.045 25124 7187 1 11 . 1 1 39 39 VAL H H 39 6.844 6.844 7.371 -0.527 25124 7188 1 11 . 1 1 40 40 LEU N N 40 118.385 118.385 121.077 -2.692 25124 7189 1 11 . 1 1 40 40 LEU HA H 40 3.929 3.929 3.849 0.080 25124 7190 1 11 . 1 1 40 40 LEU C C 40 179.584 179.584 178.133 1.451 25124 7191 1 11 . 1 1 40 40 LEU CA C 40 57.943 57.943 58.099 -0.156 25124 7192 1 11 . 1 1 40 40 LEU CB C 40 40.932 40.932 40.328 0.604 25124 7193 1 11 . 1 1 40 40 LEU H H 40 7.715 7.715 7.984 -0.269 25124 7194 1 11 . 1 1 41 41 ALA N N 41 120.091 120.091 120.276 -0.185 25124 7195 1 11 . 1 1 41 41 ALA HA H 41 4.158 4.158 3.929 0.229 25124 7196 1 11 . 1 1 41 41 ALA C C 41 180.562 180.562 178.999 1.563 25124 7197 1 11 . 1 1 41 41 ALA CA C 41 54.717 54.717 54.931 -0.214 25124 7198 1 11 . 1 1 41 41 ALA CB C 41 17.853 17.853 17.886 -0.032 25124 7199 1 11 . 1 1 41 41 ALA H H 41 7.671 7.671 7.698 -0.027 25124 7200 1 11 . 1 1 42 42 ALA N N 42 122.650 122.650 120.153 2.497 25124 7201 1 11 . 1 1 42 42 ALA HA H 42 4.221 4.221 4.219 0.002 25124 7202 1 11 . 1 1 42 42 ALA C C 42 180.166 180.166 179.606 0.560 25124 7203 1 11 . 1 1 42 42 ALA CA C 42 54.974 54.974 54.009 0.965 25124 7204 1 11 . 1 1 42 42 ALA CB C 42 19.488 19.488 18.180 1.308 25124 7205 1 11 . 1 1 42 42 ALA H H 42 7.573 7.573 6.977 0.596 25124 7206 1 11 . 1 1 43 43 LEU N N 43 119.321 119.321 121.591 -2.270 25124 7207 1 11 . 1 1 43 43 LEU HA H 43 5.260 5.260 4.640 0.620 25124 7208 1 11 . 1 1 43 43 LEU C C 43 177.389 177.389 179.791 -2.402 25124 7209 1 11 . 1 1 43 43 LEU CA C 43 55.446 55.446 57.854 -2.408 25124 7210 1 11 . 1 1 43 43 LEU CB C 43 42.879 42.879 41.992 0.888 25124 7211 1 11 . 1 1 43 43 LEU H H 43 8.289 8.289 8.379 -0.090 25124 7212 1 11 . 1 1 44 44 ALA N N 44 118.995 118.995 119.990 -0.995 25124 7213 1 11 . 1 1 44 44 ALA HA H 44 4.232 4.232 4.040 0.192 25124 7214 1 11 . 1 1 44 44 ALA C C 44 178.738 178.738 178.791 -0.053 25124 7215 1 11 . 1 1 44 44 ALA CA C 44 54.353 54.353 54.584 -0.231 25124 7216 1 11 . 1 1 44 44 ALA CB C 44 18.674 18.674 18.659 0.015 25124 7217 1 11 . 1 1 44 44 ALA H H 44 7.307 7.307 8.229 -0.922 25124 7218 1 11 . 1 1 45 45 SER N N 45 108.530 108.530 112.215 -3.685 25124 7219 1 11 . 1 1 45 45 SER HA H 45 4.761 4.761 4.419 0.342 25124 7220 1 11 . 1 1 45 45 SER C C 45 173.344 173.344 174.864 -1.520 25124 7221 1 11 . 1 1 45 45 SER CA C 45 58.682 58.682 59.536 -0.854 25124 7222 1 11 . 1 1 45 45 SER CB C 45 65.446 65.446 63.926 1.520 25124 7223 1 11 . 1 1 45 45 SER H H 45 7.772 7.772 8.015 -0.243 25124 7224 1 11 . 1 1 46 46 LYS N N 46 122.965 122.965 119.495 3.470 25124 7225 1 11 . 1 1 46 46 LYS HA H 46 4.608 4.608 4.577 0.031 25124 7226 1 11 . 1 1 46 46 LYS C C 46 172.815 172.815 174.456 -1.641 25124 7227 1 11 . 1 1 46 46 LYS CA C 46 55.601 55.601 55.484 0.117 25124 7228 1 11 . 1 1 46 46 LYS CB C 46 36.399 36.399 35.764 0.635 25124 7229 1 11 . 1 1 46 46 LYS H H 46 8.096 8.096 8.429 -0.333 25124 7230 1 11 . 1 1 47 47 THR N N 47 111.524 111.524 115.221 -3.697 25124 7231 1 11 . 1 1 47 47 THR HA H 47 4.307 4.307 4.564 -0.257 25124 7232 1 11 . 1 1 47 47 THR CA C 47 57.896 57.896 58.872 -0.976 25124 7233 1 11 . 1 1 47 47 THR CB C 47 70.570 70.570 69.197 1.373 25124 7234 1 11 . 1 1 47 47 THR H H 47 7.708 7.708 8.270 -0.562 25124 7235 1 11 . 1 1 48 48 PRO HA H 48 3.944 3.944 3.720 0.224 25124 7236 1 11 . 1 1 48 48 PRO C C 48 173.079 173.079 175.959 -2.880 25124 7237 1 11 . 1 1 48 48 PRO CA C 48 60.922 60.922 62.138 -1.216 25124 7238 1 11 . 1 1 48 48 PRO CB C 48 30.353 30.353 32.398 -2.045 25124 7239 1 11 . 1 1 49 49 ASP N N 49 115.001 115.001 117.966 -2.965 25124 7240 1 11 . 1 1 49 49 ASP HA H 49 4.460 4.460 4.790 -0.330 25124 7241 1 11 . 1 1 49 49 ASP C C 49 175.591 175.591 175.212 0.379 25124 7242 1 11 . 1 1 49 49 ASP CA C 49 56.504 56.504 54.329 2.175 25124 7243 1 11 . 1 1 49 49 ASP CB C 49 42.625 42.625 43.902 -1.277 25124 7244 1 11 . 1 1 49 49 ASP H H 49 8.535 8.535 8.312 0.223 25124 7245 1 11 . 1 1 50 50 VAL N N 50 111.832 111.832 117.772 -5.940 25124 7246 1 11 . 1 1 50 50 VAL HA H 50 4.316 4.316 4.351 -0.035 25124 7247 1 11 . 1 1 50 50 VAL C C 50 171.572 171.572 173.588 -2.016 25124 7248 1 11 . 1 1 50 50 VAL CA C 50 60.398 60.398 61.898 -1.500 25124 7249 1 11 . 1 1 50 50 VAL CB C 50 34.650 34.650 32.233 2.417 25124 7250 1 11 . 1 1 50 50 VAL H H 50 7.194 7.194 7.266 -0.072 25124 7251 1 11 . 1 1 51 51 LEU N N 51 127.785 127.785 127.871 -0.086 25124 7252 1 11 . 1 1 51 51 LEU HA H 51 5.376 5.376 5.299 0.077 25124 7253 1 11 . 1 1 51 51 LEU C C 51 173.264 173.264 175.338 -2.074 25124 7254 1 11 . 1 1 51 51 LEU CA C 51 53.137 53.137 53.811 -0.674 25124 7255 1 11 . 1 1 51 51 LEU CB C 51 46.680 46.680 44.813 1.867 25124 7256 1 11 . 1 1 51 51 LEU H H 51 8.049 8.049 8.390 -0.341 25124 7257 1 11 . 1 1 52 52 LEU N N 52 128.943 128.943 125.271 3.672 25124 7258 1 11 . 1 1 52 52 LEU HA H 52 5.312 5.312 5.135 0.177 25124 7259 1 11 . 1 1 52 52 LEU C C 52 174.692 174.692 176.721 -2.029 25124 7260 1 11 . 1 1 52 52 LEU CA C 52 54.313 54.313 53.243 1.070 25124 7261 1 11 . 1 1 52 52 LEU CB C 52 43.961 43.961 41.035 2.926 25124 7262 1 11 . 1 1 52 52 LEU H H 52 9.278 9.278 7.963 1.315 25124 7263 1 11 . 1 1 53 53 SER N N 53 116.717 116.717 117.705 -0.988 25124 7264 1 11 . 1 1 53 53 SER HA H 53 5.395 5.395 4.287 1.108 25124 7265 1 11 . 1 1 53 53 SER C C 53 173.608 173.608 173.333 0.275 25124 7266 1 11 . 1 1 53 53 SER CA C 53 56.226 56.226 59.012 -2.786 25124 7267 1 11 . 1 1 53 53 SER CB C 53 65.753 65.753 64.137 1.616 25124 7268 1 11 . 1 1 53 53 SER H H 53 9.256 9.256 7.926 1.330 25124 7269 1 11 . 1 1 54 54 ASP N N 54 127.909 127.909 125.251 2.658 25124 7270 1 11 . 1 1 54 54 ASP HA H 54 5.622 5.622 5.429 0.193 25124 7271 1 11 . 1 1 54 54 ASP C C 54 175.723 175.723 175.806 -0.083 25124 7272 1 11 . 1 1 54 54 ASP CA C 54 53.268 53.268 52.515 0.753 25124 7273 1 11 . 1 1 54 54 ASP CB C 54 44.386 44.386 43.147 1.239 25124 7274 1 11 . 1 1 54 54 ASP H H 54 8.219 8.219 8.680 -0.461 25124 7275 1 11 . 1 1 55 55 ILE N N 55 117.015 117.015 117.602 -0.587 25124 7276 1 11 . 1 1 55 55 ILE HA H 55 4.116 4.116 4.494 -0.378 25124 7277 1 11 . 1 1 55 55 ILE C C 55 176.913 176.913 175.248 1.665 25124 7278 1 11 . 1 1 55 55 ILE CA C 55 65.290 65.290 59.354 5.936 25124 7279 1 11 . 1 1 55 55 ILE CB C 55 38.487 38.487 36.429 2.058 25124 7280 1 11 . 1 1 55 55 ILE H H 55 7.812 7.812 8.251 -0.439 25124 7281 1 11 . 1 1 56 56 ARG N N 56 117.365 117.365 121.772 -4.407 25124 7282 1 11 . 1 1 56 56 ARG HA H 56 4.379 4.379 4.524 -0.145 25124 7283 1 11 . 1 1 56 56 ARG C C 56 172.788 172.788 174.115 -1.327 25124 7284 1 11 . 1 1 56 56 ARG CA C 56 57.034 57.034 55.990 1.044 25124 7285 1 11 . 1 1 56 56 ARG CB C 56 27.600 27.600 30.692 -3.092 25124 7286 1 11 . 1 1 56 56 ARG H H 56 8.991 8.991 7.759 1.232 25124 7287 1 11 . 1 1 57 57 MET N N 57 129.539 129.539 118.798 10.741 25124 7288 1 11 . 1 1 57 57 MET HA H 57 4.767 4.767 4.960 -0.193 25124 7289 1 11 . 1 1 57 57 MET CA C 57 53.641 53.641 52.016 1.625 25124 7290 1 11 . 1 1 57 57 MET CB C 57 36.484 36.484 31.963 4.521 25124 7291 1 11 . 1 1 57 57 MET H H 57 7.501 7.501 7.750 -0.249 25124 7292 1 11 . 1 1 58 58 PRO HA H 58 4.379 4.379 4.369 0.010 25124 7293 1 11 . 1 1 58 58 PRO C C 58 177.495 177.495 177.833 -0.338 25124 7294 1 11 . 1 1 58 58 PRO CA C 58 63.104 63.104 63.937 -0.833 25124 7295 1 11 . 1 1 58 58 PRO CB C 58 31.922 31.922 32.223 -0.301 25124 7296 1 11 . 1 1 59 59 GLY N N 59 112.312 112.312 107.402 4.910 25124 7297 1 11 . 1 1 59 59 GLY C C 59 173.793 173.793 174.445 -0.652 25124 7298 1 11 . 1 1 59 59 GLY CA C 59 46.430 46.430 46.587 -0.157 25124 7299 1 11 . 1 1 59 59 GLY H H 59 8.656 8.656 8.254 0.402 25124 7300 1 11 . 1 1 60 60 MET N N 60 124.343 124.343 117.779 6.564 25124 7301 1 11 . 1 1 60 60 MET HA H 60 4.344 4.344 4.559 -0.215 25124 7302 1 11 . 1 1 60 60 MET C C 60 174.190 174.190 174.271 -0.081 25124 7303 1 11 . 1 1 60 60 MET CA C 60 55.871 55.871 55.656 0.215 25124 7304 1 11 . 1 1 60 60 MET CB C 60 34.955 34.955 34.565 0.390 25124 7305 1 11 . 1 1 60 60 MET H H 60 7.778 7.778 7.811 -0.033 25124 7306 1 11 . 1 1 61 61 ASP N N 61 124.993 124.993 113.760 11.233 25124 7307 1 11 . 1 1 61 61 ASP HA H 61 4.870 4.870 4.732 0.138 25124 7308 1 11 . 1 1 61 61 ASP C C 61 176.966 176.966 175.197 1.769 25124 7309 1 11 . 1 1 61 61 ASP CA C 61 53.490 53.490 53.518 -0.028 25124 7310 1 11 . 1 1 61 61 ASP CB C 61 42.347 42.347 41.308 1.039 25124 7311 1 11 . 1 1 61 61 ASP H H 61 8.378 8.378 7.783 0.595 25124 7312 1 11 . 1 1 62 62 GLY N N 62 105.163 105.163 104.429 0.734 25124 7313 1 11 . 1 1 62 62 GLY C C 62 175.935 175.935 175.725 0.210 25124 7314 1 11 . 1 1 62 62 GLY CA C 62 46.755 46.755 45.244 1.511 25124 7315 1 11 . 1 1 62 62 GLY H H 62 10.153 10.153 8.500 1.653 25124 7316 1 11 . 1 1 63 63 LEU N N 63 120.509 120.509 122.080 -1.571 25124 7317 1 11 . 1 1 63 63 LEU HA H 63 4.293 4.293 4.318 -0.025 25124 7318 1 11 . 1 1 63 63 LEU C C 63 179.293 179.293 178.172 1.121 25124 7319 1 11 . 1 1 63 63 LEU CA C 63 57.148 57.148 56.782 0.365 25124 7320 1 11 . 1 1 63 63 LEU CB C 63 40.053 40.053 41.939 -1.886 25124 7321 1 11 . 1 1 63 63 LEU H H 63 8.119 8.119 7.854 0.265 25124 7322 1 11 . 1 1 64 64 ALA N N 64 126.234 126.234 122.168 4.066 25124 7323 1 11 . 1 1 64 64 ALA HA H 64 4.112 4.112 4.057 0.055 25124 7324 1 11 . 1 1 64 64 ALA C C 64 181.223 181.223 178.795 2.428 25124 7325 1 11 . 1 1 64 64 ALA CA C 64 54.802 54.802 54.822 -0.020 25124 7326 1 11 . 1 1 64 64 ALA CB C 64 18.133 18.133 18.219 -0.086 25124 7327 1 11 . 1 1 64 64 ALA H H 64 8.303 8.303 7.679 0.624 25124 7328 1 11 . 1 1 65 65 LEU N N 65 120.067 120.067 118.070 1.997 25124 7329 1 11 . 1 1 65 65 LEU HA H 65 4.044 4.044 4.278 -0.234 25124 7330 1 11 . 1 1 65 65 LEU C C 65 177.548 177.548 178.273 -0.725 25124 7331 1 11 . 1 1 65 65 LEU CA C 65 58.197 58.197 57.058 1.139 25124 7332 1 11 . 1 1 65 65 LEU CB C 65 41.727 41.727 42.585 -0.858 25124 7333 1 11 . 1 1 65 65 LEU H H 65 8.398 8.398 7.940 0.458 25124 7334 1 11 . 1 1 66 66 LEU N N 66 120.890 120.890 120.227 0.663 25124 7335 1 11 . 1 1 66 66 LEU HA H 66 3.848 3.848 4.006 -0.158 25124 7336 1 11 . 1 1 66 66 LEU C C 66 177.230 177.230 178.349 -1.119 25124 7337 1 11 . 1 1 66 66 LEU CA C 66 58.736 58.736 57.420 1.316 25124 7338 1 11 . 1 1 66 66 LEU CB C 66 41.803 41.803 41.775 0.028 25124 7339 1 11 . 1 1 66 66 LEU H H 66 8.203 8.203 7.777 0.426 25124 7340 1 11 . 1 1 67 67 LYS N N 67 116.919 116.919 118.476 -1.557 25124 7341 1 11 . 1 1 67 67 LYS HA H 67 4.004 4.004 3.944 0.060 25124 7342 1 11 . 1 1 67 67 LYS C C 67 179.452 179.452 178.997 0.455 25124 7343 1 11 . 1 1 67 67 LYS CA C 67 59.733 59.733 59.083 0.650 25124 7344 1 11 . 1 1 67 67 LYS CB C 67 32.415 32.415 32.141 0.274 25124 7345 1 11 . 1 1 67 67 LYS H H 67 7.667 7.667 8.234 -0.567 25124 7346 1 11 . 1 1 68 68 GLN N N 68 116.851 116.851 118.592 -1.741 25124 7347 1 11 . 1 1 68 68 GLN HA H 68 4.046 4.046 4.087 -0.041 25124 7348 1 11 . 1 1 68 68 GLN C C 68 179.319 179.319 178.232 1.087 25124 7349 1 11 . 1 1 68 68 GLN CA C 68 58.820 58.820 58.907 -0.088 25124 7350 1 11 . 1 1 68 68 GLN CB C 68 28.660 28.660 29.420 -0.760 25124 7351 1 11 . 1 1 68 68 GLN H H 68 7.677 7.677 7.530 0.147 25124 7352 1 11 . 1 1 69 69 ILE N N 69 120.670 120.670 115.576 5.094 25124 7353 1 11 . 1 1 69 69 ILE HA H 69 3.564 3.564 3.864 -0.300 25124 7354 1 11 . 1 1 69 69 ILE C C 69 177.786 177.786 177.686 0.100 25124 7355 1 11 . 1 1 69 69 ILE CA C 69 65.381 65.381 64.215 1.166 25124 7356 1 11 . 1 1 69 69 ILE CB C 69 37.186 37.186 37.404 -0.218 25124 7357 1 11 . 1 1 69 69 ILE H H 69 8.918 8.918 7.441 1.477 25124 7358 1 11 . 1 1 70 70 LYS N N 70 118.002 118.002 117.435 0.567 25124 7359 1 11 . 1 1 70 70 LYS HA H 70 3.936 3.936 4.172 -0.236 25124 7360 1 11 . 1 1 70 70 LYS C C 70 177.944 177.944 178.219 -0.275 25124 7361 1 11 . 1 1 70 70 LYS CA C 70 57.351 57.351 57.778 -0.427 25124 7362 1 11 . 1 1 70 70 LYS CB C 70 31.440 31.440 32.342 -0.902 25124 7363 1 11 . 1 1 70 70 LYS H H 70 8.592 8.592 7.945 0.647 25124 7364 1 11 . 1 1 71 71 GLN N N 71 114.891 114.891 117.691 -2.800 25124 7365 1 11 . 1 1 71 71 GLN HA H 71 4.063 4.063 4.218 -0.155 25124 7366 1 11 . 1 1 71 71 GLN C C 71 177.019 177.019 178.285 -1.266 25124 7367 1 11 . 1 1 71 71 GLN CA C 71 58.007 58.007 57.304 0.703 25124 7368 1 11 . 1 1 71 71 GLN CB C 71 29.168 29.168 29.533 -0.365 25124 7369 1 11 . 1 1 71 71 GLN H H 71 7.266 7.266 7.437 -0.171 25124 7370 1 11 . 1 1 72 72 ARG N N 72 116.364 116.364 118.668 -2.304 25124 7371 1 11 . 1 1 72 72 ARG HA H 72 4.130 4.130 3.946 0.184 25124 7372 1 11 . 1 1 72 72 ARG C C 72 175.803 175.803 175.979 -0.176 25124 7373 1 11 . 1 1 72 72 ARG CA C 72 57.174 57.174 58.159 -0.985 25124 7374 1 11 . 1 1 72 72 ARG CB C 72 32.638 32.638 30.395 2.243 25124 7375 1 11 . 1 1 72 72 ARG H H 72 7.254 7.254 8.304 -1.050 25124 7376 1 11 . 1 1 73 73 HIS N N 73 116.981 116.981 110.788 6.193 25124 7377 1 11 . 1 1 73 73 HIS HA H 73 4.994 4.994 4.946 0.048 25124 7378 1 11 . 1 1 73 73 HIS CA C 73 53.252 53.252 53.328 -0.076 25124 7379 1 11 . 1 1 73 73 HIS CB C 73 31.026 31.026 29.574 1.452 25124 7380 1 11 . 1 1 73 73 HIS H H 73 8.828 8.828 7.135 1.693 25124 7381 1 11 . 1 1 74 74 PRO HA H 74 4.435 4.435 4.608 -0.173 25124 7382 1 11 . 1 1 74 74 PRO C C 74 178.156 178.156 177.629 0.527 25124 7383 1 11 . 1 1 74 74 PRO CA C 74 65.284 65.284 64.543 0.741 25124 7384 1 11 . 1 1 74 74 PRO CB C 74 32.130 32.130 31.891 0.239 25124 7385 1 11 . 1 1 75 75 MET N N 75 114.676 114.676 117.122 -2.446 25124 7386 1 11 . 1 1 75 75 MET HA H 75 4.587 4.587 4.410 0.177 25124 7387 1 11 . 1 1 75 75 MET C C 75 176.067 176.067 176.453 -0.386 25124 7388 1 11 . 1 1 75 75 MET CA C 75 54.304 54.304 55.338 -1.034 25124 7389 1 11 . 1 1 75 75 MET CB C 75 31.623 31.623 32.584 -0.961 25124 7390 1 11 . 1 1 75 75 MET H H 75 8.648 8.648 7.845 0.803 25124 7391 1 11 . 1 1 76 76 LEU N N 76 125.720 125.720 118.618 7.102 25124 7392 1 11 . 1 1 76 76 LEU HA H 76 4.293 4.293 4.545 -0.252 25124 7393 1 11 . 1 1 76 76 LEU CA C 76 53.472 53.472 52.683 0.789 25124 7394 1 11 . 1 1 76 76 LEU CB C 76 43.540 43.540 41.512 2.028 25124 7395 1 11 . 1 1 76 76 LEU H H 76 7.342 7.342 7.446 -0.104 25124 7396 1 11 . 1 1 77 77 PRO HA H 77 4.440 4.440 4.433 0.007 25124 7397 1 11 . 1 1 77 77 PRO C C 77 175.062 175.062 175.621 -0.559 25124 7398 1 11 . 1 1 77 77 PRO CA C 77 62.841 62.841 62.674 0.167 25124 7399 1 11 . 1 1 77 77 PRO CB C 77 31.903 31.903 32.157 -0.255 25124 7400 1 11 . 1 1 78 78 VAL N N 78 123.116 123.116 123.483 -0.367 25124 7401 1 11 . 1 1 78 78 VAL HA H 78 5.093 5.093 4.343 0.750 25124 7402 1 11 . 1 1 78 78 VAL C C 78 175.776 175.776 174.764 1.012 25124 7403 1 11 . 1 1 78 78 VAL CA C 78 60.083 60.083 61.427 -1.344 25124 7404 1 11 . 1 1 78 78 VAL CB C 78 34.245 34.245 35.475 -1.230 25124 7405 1 11 . 1 1 78 78 VAL H H 78 8.369 8.369 8.213 0.156 25124 7406 1 11 . 1 1 79 79 ILE N N 79 129.166 129.166 123.200 5.966 25124 7407 1 11 . 1 1 79 79 ILE HA H 79 4.499 4.499 4.598 -0.099 25124 7408 1 11 . 1 1 79 79 ILE C C 79 174.295 174.295 174.864 -0.569 25124 7409 1 11 . 1 1 79 79 ILE CA C 79 60.030 60.030 59.975 0.055 25124 7410 1 11 . 1 1 79 79 ILE CB C 79 40.222 40.222 41.645 -1.423 25124 7411 1 11 . 1 1 79 79 ILE H H 79 9.436 9.436 8.040 1.396 25124 7412 1 11 . 1 1 80 80 ILE N N 80 128.234 128.234 126.036 2.198 25124 7413 1 11 . 1 1 80 80 ILE HA H 80 5.253 5.253 4.430 0.823 25124 7414 1 11 . 1 1 80 80 ILE C C 80 173.449 173.449 174.856 -1.407 25124 7415 1 11 . 1 1 80 80 ILE CA C 80 56.265 56.265 59.749 -3.484 25124 7416 1 11 . 1 1 80 80 ILE CB C 80 38.176 38.176 37.818 0.358 25124 7417 1 11 . 1 1 80 80 ILE H H 80 7.920 7.920 8.190 -0.270 25124 7418 1 11 . 1 1 81 81 MET N N 81 124.079 124.079 128.488 -4.409 25124 7419 1 11 . 1 1 81 81 MET HA H 81 5.489 5.489 4.714 0.775 25124 7420 1 11 . 1 1 81 81 MET C C 81 173.820 173.820 173.746 0.074 25124 7421 1 11 . 1 1 81 81 MET CA C 81 52.889 52.889 54.878 -1.989 25124 7422 1 11 . 1 1 81 81 MET CB C 81 36.663 36.663 35.069 1.594 25124 7423 1 11 . 1 1 81 81 MET H H 81 9.028 9.028 8.307 0.721 25124 7424 1 11 . 1 1 82 82 THR N N 82 108.434 108.434 118.116 -9.682 25124 7425 1 11 . 1 1 82 82 THR HA H 82 5.134 5.134 4.462 0.672 25124 7426 1 11 . 1 1 82 82 THR C C 82 172.550 172.550 172.171 0.379 25124 7427 1 11 . 1 1 82 82 THR CA C 82 60.642 60.642 61.181 -0.539 25124 7428 1 11 . 1 1 82 82 THR CB C 82 68.843 68.843 71.081 -2.238 25124 7429 1 11 . 1 1 82 82 THR H H 82 7.098 7.098 8.071 -0.973 25124 7430 1 11 . 1 1 83 83 ALA N N 83 128.991 128.991 123.427 5.564 25124 7431 1 11 . 1 1 83 83 ALA HA H 83 4.678 4.678 4.641 0.037 25124 7432 1 11 . 1 1 83 83 ALA C C 83 177.812 177.812 178.259 -0.447 25124 7433 1 11 . 1 1 83 83 ALA CA C 83 52.457 52.457 50.233 2.224 25124 7434 1 11 . 1 1 83 83 ALA CB C 83 19.396 19.396 20.499 -1.103 25124 7435 1 11 . 1 1 83 83 ALA H H 83 8.590 8.590 8.205 0.385 25124 7436 1 11 . 1 1 84 84 HIS N N 84 121.904 121.904 116.788 5.116 25124 7437 1 11 . 1 1 84 84 HIS HA H 84 4.576 4.576 4.251 0.325 25124 7438 1 11 . 1 1 84 84 HIS C C 84 175.512 175.512 175.063 0.449 25124 7439 1 11 . 1 1 84 84 HIS CA C 84 56.674 56.674 57.718 -1.044 25124 7440 1 11 . 1 1 84 84 HIS CB C 84 29.589 29.589 29.295 0.294 25124 7441 1 11 . 1 1 84 84 HIS H H 84 8.865 8.865 8.305 0.560 25124 7442 1 11 . 1 1 85 85 SER N N 85 114.679 114.679 117.292 -2.613 25124 7443 1 11 . 1 1 85 85 SER HA H 85 4.303 4.303 4.556 -0.253 25124 7444 1 11 . 1 1 85 85 SER C C 85 174.560 174.560 174.412 0.148 25124 7445 1 11 . 1 1 85 85 SER CA C 85 58.970 58.970 59.755 -0.785 25124 7446 1 11 . 1 1 85 85 SER CB C 85 62.829 62.829 63.356 -0.527 25124 7447 1 11 . 1 1 85 85 SER H H 85 8.016 8.016 7.708 0.308 25124 7448 1 11 . 1 1 86 86 ASP N N 86 122.325 122.325 121.556 0.769 25124 7449 1 11 . 1 1 86 86 ASP HA H 86 4.761 4.761 4.424 0.337 25124 7450 1 11 . 1 1 86 86 ASP C C 86 176.094 176.094 177.280 -1.186 25124 7451 1 11 . 1 1 86 86 ASP CA C 86 53.627 53.627 55.651 -2.024 25124 7452 1 11 . 1 1 86 86 ASP CB C 86 40.942 40.942 40.536 0.406 25124 7453 1 11 . 1 1 86 86 ASP H H 86 8.054 8.054 8.833 -0.779 25124 7454 1 11 . 1 1 87 87 LEU N N 87 122.041 122.041 120.550 1.491 25124 7455 1 11 . 1 1 87 87 LEU HA H 87 4.069 4.069 4.014 0.055 25124 7456 1 11 . 1 1 87 87 LEU C C 87 177.892 177.892 177.185 0.707 25124 7457 1 11 . 1 1 87 87 LEU CA C 87 57.182 57.182 57.540 -0.358 25124 7458 1 11 . 1 1 87 87 LEU CB C 87 42.015 42.015 41.882 0.133 25124 7459 1 11 . 1 1 87 87 LEU H H 87 8.005 8.005 7.670 0.335 25124 7460 1 11 . 1 1 88 88 ASP N N 88 118.050 118.050 119.927 -1.877 25124 7461 1 11 . 1 1 88 88 ASP HA H 88 4.370 4.370 4.213 0.157 25124 7462 1 11 . 1 1 88 88 ASP C C 88 178.103 178.103 177.650 0.453 25124 7463 1 11 . 1 1 88 88 ASP CA C 88 56.342 56.342 56.902 -0.560 25124 7464 1 11 . 1 1 88 88 ASP CB C 88 40.280 40.280 39.533 0.747 25124 7465 1 11 . 1 1 88 88 ASP H H 88 8.243 8.243 8.449 -0.206 25124 7466 1 11 . 1 1 89 89 ALA N N 89 122.780 122.780 120.659 2.121 25124 7467 1 11 . 1 1 89 89 ALA HA H 89 4.038 4.038 4.121 -0.083 25124 7468 1 11 . 1 1 89 89 ALA C C 89 178.526 178.526 178.756 -0.230 25124 7469 1 11 . 1 1 89 89 ALA CA C 89 54.655 54.655 53.887 0.768 25124 7470 1 11 . 1 1 89 89 ALA CB C 89 18.809 18.809 18.416 0.393 25124 7471 1 11 . 1 1 89 89 ALA H H 89 7.890 7.890 7.718 0.172 25124 7472 1 11 . 1 1 90 90 ALA N N 90 120.040 120.040 120.526 -0.486 25124 7473 1 11 . 1 1 90 90 ALA HA H 90 3.254 3.254 3.664 -0.410 25124 7474 1 11 . 1 1 90 90 ALA C C 90 178.976 178.976 179.344 -0.368 25124 7475 1 11 . 1 1 90 90 ALA CA C 90 55.050 55.050 54.541 0.509 25124 7476 1 11 . 1 1 90 90 ALA CB C 90 17.725 17.725 17.923 -0.198 25124 7477 1 11 . 1 1 90 90 ALA H H 90 7.513 7.513 7.797 -0.284 25124 7478 1 11 . 1 1 91 91 VAL N N 91 116.635 116.635 117.569 -0.934 25124 7479 1 11 . 1 1 91 91 VAL HA H 91 3.637 3.637 3.750 -0.113 25124 7480 1 11 . 1 1 91 91 VAL C C 91 178.632 178.632 177.631 1.001 25124 7481 1 11 . 1 1 91 91 VAL CA C 91 65.971 65.971 66.295 -0.324 25124 7482 1 11 . 1 1 91 91 VAL CB C 91 31.623 31.623 32.091 -0.468 25124 7483 1 11 . 1 1 91 91 VAL H H 91 7.877 7.877 7.267 0.610 25124 7484 1 11 . 1 1 92 92 SER N N 92 115.439 115.439 116.336 -0.897 25124 7485 1 11 . 1 1 92 92 SER HA H 92 4.215 4.215 3.969 0.246 25124 7486 1 11 . 1 1 92 92 SER C C 92 175.961 175.961 176.583 -0.622 25124 7487 1 11 . 1 1 92 92 SER CA C 92 61.401 61.401 62.007 -0.606 25124 7488 1 11 . 1 1 92 92 SER CB C 92 62.966 62.966 62.784 0.182 25124 7489 1 11 . 1 1 92 92 SER H H 92 7.912 7.912 7.616 0.296 25124 7490 1 11 . 1 1 93 93 ALA N N 93 122.647 122.647 123.562 -0.915 25124 7491 1 11 . 1 1 93 93 ALA HA H 93 3.786 3.786 3.969 -0.183 25124 7492 1 11 . 1 1 93 93 ALA C C 93 179.293 179.293 179.540 -0.247 25124 7493 1 11 . 1 1 93 93 ALA CA C 93 55.172 55.172 54.903 0.269 25124 7494 1 11 . 1 1 93 93 ALA CB C 93 17.161 17.161 17.817 -0.656 25124 7495 1 11 . 1 1 93 93 ALA H H 93 8.199 8.199 8.325 -0.126 25124 7496 1 11 . 1 1 94 94 TYR N N 94 117.796 117.796 118.471 -0.675 25124 7497 1 11 . 1 1 94 94 TYR HA H 94 4.283 4.283 4.118 0.165 25124 7498 1 11 . 1 1 94 94 TYR C C 94 179.954 179.954 178.503 1.451 25124 7499 1 11 . 1 1 94 94 TYR CA C 94 61.216 61.216 60.287 0.929 25124 7500 1 11 . 1 1 94 94 TYR CB C 94 37.716 37.716 37.580 0.136 25124 7501 1 11 . 1 1 94 94 TYR H H 94 8.065 8.065 7.385 0.680 25124 7502 1 11 . 1 1 95 95 GLN N N 95 120.057 120.057 116.415 3.642 25124 7503 1 11 . 1 1 95 95 GLN HA H 95 4.005 4.005 4.084 -0.079 25124 7504 1 11 . 1 1 95 95 GLN C C 95 177.680 177.680 178.203 -0.523 25124 7505 1 11 . 1 1 95 95 GLN CA C 95 58.471 58.471 57.869 0.602 25124 7506 1 11 . 1 1 95 95 GLN CB C 95 28.334 28.334 28.630 -0.296 25124 7507 1 11 . 1 1 95 95 GLN H H 95 8.513 8.513 7.588 0.925 25124 7508 1 11 . 1 1 96 96 GLN N N 96 115.323 115.323 117.430 -2.107 25124 7509 1 11 . 1 1 96 96 GLN HA H 96 4.321 4.321 4.293 0.028 25124 7510 1 11 . 1 1 96 96 GLN C C 96 175.538 175.538 176.561 -1.023 25124 7511 1 11 . 1 1 96 96 GLN CA C 96 55.379 55.379 56.384 -1.005 25124 7512 1 11 . 1 1 96 96 GLN CB C 96 28.915 28.915 29.776 -0.861 25124 7513 1 11 . 1 1 96 96 GLN H H 96 7.774 7.774 7.967 -0.193 25124 7514 1 11 . 1 1 97 97 GLY N N 97 104.173 104.173 105.504 -1.331 25124 7515 1 11 . 1 1 97 97 GLY C C 97 175.168 175.168 173.542 1.626 25124 7516 1 11 . 1 1 97 97 GLY CA C 97 45.491 45.491 44.541 0.950 25124 7517 1 11 . 1 1 97 97 GLY H H 97 7.576 7.576 7.693 -0.117 25124 7518 1 11 . 1 1 98 98 ALA N N 98 123.484 123.484 121.570 1.914 25124 7519 1 11 . 1 1 98 98 ALA HA H 98 4.266 4.266 4.425 -0.159 25124 7520 1 11 . 1 1 98 98 ALA C C 98 176.067 176.067 176.592 -0.525 25124 7521 1 11 . 1 1 98 98 ALA CA C 98 53.008 53.008 52.306 0.702 25124 7522 1 11 . 1 1 98 98 ALA CB C 98 18.556 18.556 19.960 -1.404 25124 7523 1 11 . 1 1 98 98 ALA H H 98 8.358 8.358 7.752 0.606 25124 7524 1 11 . 1 1 99 99 PHE N N 99 123.551 123.551 120.532 3.019 25124 7525 1 11 . 1 1 99 99 PHE HA H 99 4.259 4.259 4.676 -0.417 25124 7526 1 11 . 1 1 99 99 PHE C C 99 175.432 175.432 175.174 0.258 25124 7527 1 11 . 1 1 99 99 PHE CA C 99 60.274 60.274 59.848 0.426 25124 7528 1 11 . 1 1 99 99 PHE CB C 99 40.375 40.375 41.479 -1.104 25124 7529 1 11 . 1 1 99 99 PHE H H 99 9.477 9.477 8.364 1.113 25124 7530 1 11 . 1 1 100 100 ASP N N 100 110.678 110.678 113.799 -3.121 25124 7531 1 11 . 1 1 100 100 ASP HA H 100 4.547 4.547 5.037 -0.490 25124 7532 1 11 . 1 1 100 100 ASP C C 100 173.053 173.053 173.674 -0.621 25124 7533 1 11 . 1 1 100 100 ASP CA C 100 52.527 52.527 54.165 -1.638 25124 7534 1 11 . 1 1 100 100 ASP CB C 100 44.789 44.789 44.250 0.539 25124 7535 1 11 . 1 1 100 100 ASP H H 100 7.683 7.683 8.136 -0.453 25124 7536 1 11 . 1 1 101 101 TYR N N 101 122.174 122.174 121.758 0.416 25124 7537 1 11 . 1 1 101 101 TYR HA H 101 5.425 5.425 5.340 0.085 25124 7538 1 11 . 1 1 101 101 TYR C C 101 172.550 172.550 174.309 -1.759 25124 7539 1 11 . 1 1 101 101 TYR CA C 101 55.865 55.865 56.230 -0.365 25124 7540 1 11 . 1 1 101 101 TYR CB C 101 41.760 41.760 39.562 2.199 25124 7541 1 11 . 1 1 101 101 TYR H H 101 9.874 9.874 8.667 1.207 25124 7542 1 11 . 1 1 102 102 LEU N N 102 129.337 129.337 129.846 -0.509 25124 7543 1 11 . 1 1 102 102 LEU HA H 102 4.677 4.677 4.657 0.020 25124 7544 1 11 . 1 1 102 102 LEU CA C 102 50.418 50.418 50.753 -0.335 25124 7545 1 11 . 1 1 102 102 LEU CB C 102 45.066 45.066 43.654 1.412 25124 7546 1 11 . 1 1 102 102 LEU H H 102 8.974 8.974 7.901 1.073 25124 7547 1 11 . 1 1 103 103 PRO HA H 103 4.552 4.552 4.431 0.121 25124 7548 1 11 . 1 1 103 103 PRO C C 103 176.067 176.067 175.378 0.689 25124 7549 1 11 . 1 1 103 103 PRO CA C 103 61.951 61.951 62.192 -0.241 25124 7550 1 11 . 1 1 103 103 PRO CB C 103 31.829 31.829 32.221 -0.392 25124 7551 1 11 . 1 1 104 104 LYS N N 104 118.403 118.403 119.880 -1.477 25124 7552 1 11 . 1 1 104 104 LYS HA H 104 4.459 4.459 4.924 -0.465 25124 7553 1 11 . 1 1 104 104 LYS CA C 104 53.204 53.204 53.322 -0.118 25124 7554 1 11 . 1 1 104 104 LYS CB C 104 34.500 34.500 32.022 2.478 25124 7555 1 11 . 1 1 104 104 LYS H H 104 8.013 8.013 8.199 -0.186 25124 7556 1 11 . 1 1 105 105 PRO HA H 105 4.258 4.258 4.534 -0.276 25124 7557 1 11 . 1 1 105 105 PRO C C 105 174.930 174.930 176.019 -1.089 25124 7558 1 11 . 1 1 105 105 PRO CA C 105 62.213 62.213 63.043 -0.830 25124 7559 1 11 . 1 1 105 105 PRO CB C 105 34.151 34.151 31.785 2.365 25124 7560 1 11 . 1 1 106 106 PHE N N 106 116.796 116.796 120.875 -4.079 25124 7561 1 11 . 1 1 106 106 PHE HA H 106 5.169 5.169 4.745 0.424 25124 7562 1 11 . 1 1 106 106 PHE C C 106 175.194 175.194 174.658 0.536 25124 7563 1 11 . 1 1 106 106 PHE CA C 106 53.244 53.244 55.539 -2.295 25124 7564 1 11 . 1 1 106 106 PHE CB C 106 40.477 40.477 41.005 -0.528 25124 7565 1 11 . 1 1 106 106 PHE H H 106 7.399 7.399 7.646 -0.247 25124 7566 1 11 . 1 1 107 107 ASP N N 107 122.212 122.212 122.872 -0.660 25124 7567 1 11 . 1 1 107 107 ASP HA H 107 4.823 4.823 4.894 -0.071 25124 7568 1 11 . 1 1 107 107 ASP C C 107 177.812 177.812 177.213 0.599 25124 7569 1 11 . 1 1 107 107 ASP CA C 107 53.392 53.392 53.637 -0.245 25124 7570 1 11 . 1 1 107 107 ASP CB C 107 42.455 42.455 41.560 0.895 25124 7571 1 11 . 1 1 107 107 ASP H H 107 9.047 9.047 8.641 0.406 25124 7572 1 11 . 1 1 108 108 ILE N N 108 127.963 127.963 122.885 5.078 25124 7573 1 11 . 1 1 108 108 ILE HA H 108 3.949 3.949 3.944 0.005 25124 7574 1 11 . 1 1 108 108 ILE C C 108 176.226 176.226 176.557 -0.331 25124 7575 1 11 . 1 1 108 108 ILE CA C 108 63.105 63.105 63.786 -0.681 25124 7576 1 11 . 1 1 108 108 ILE CB C 108 37.665 37.665 37.192 0.473 25124 7577 1 11 . 1 1 108 108 ILE H H 108 8.898 8.898 8.392 0.506 25124 7578 1 11 . 1 1 109 109 ASP N N 109 119.804 119.804 121.010 -1.206 25124 7579 1 11 . 1 1 109 109 ASP HA H 109 4.393 4.393 4.314 0.079 25124 7580 1 11 . 1 1 109 109 ASP C C 109 179.848 179.848 178.723 1.125 25124 7581 1 11 . 1 1 109 109 ASP CA C 109 57.483 57.483 57.972 -0.489 25124 7582 1 11 . 1 1 109 109 ASP CB C 109 39.986 39.986 40.296 -0.310 25124 7583 1 11 . 1 1 109 109 ASP H H 109 8.098 8.098 8.612 -0.514 25124 7584 1 11 . 1 1 110 110 GLU N N 110 121.667 121.667 119.066 2.601 25124 7585 1 11 . 1 1 110 110 GLU HA H 110 4.085 4.085 4.318 -0.233 25124 7586 1 11 . 1 1 110 110 GLU C C 110 178.976 178.976 178.151 0.825 25124 7587 1 11 . 1 1 110 110 GLU CA C 110 58.790 58.790 58.246 0.544 25124 7588 1 11 . 1 1 110 110 GLU CB C 110 29.330 29.330 29.979 -0.649 25124 7589 1 11 . 1 1 110 110 GLU H H 110 8.059 8.059 8.110 -0.051 25124 7590 1 11 . 1 1 111 111 ALA N N 111 122.208 122.208 123.332 -1.124 25124 7591 1 11 . 1 1 111 111 ALA HA H 111 3.758 3.758 4.200 -0.442 25124 7592 1 11 . 1 1 111 111 ALA C C 111 178.605 178.605 179.470 -0.865 25124 7593 1 11 . 1 1 111 111 ALA CA C 111 55.320 55.320 55.141 0.179 25124 7594 1 11 . 1 1 111 111 ALA CB C 111 18.174 18.174 18.590 -0.416 25124 7595 1 11 . 1 1 111 111 ALA H H 111 7.903 7.903 7.606 0.297 25124 7596 1 11 . 1 1 112 112 VAL N N 112 116.429 116.429 118.182 -1.753 25124 7597 1 11 . 1 1 112 112 VAL HA H 112 3.194 3.194 3.654 -0.460 25124 7598 1 11 . 1 1 112 112 VAL C C 112 177.230 177.230 177.984 -0.754 25124 7599 1 11 . 1 1 112 112 VAL CA C 112 67.154 67.154 66.800 0.354 25124 7600 1 11 . 1 1 112 112 VAL CB C 112 31.538 31.538 31.031 0.507 25124 7601 1 11 . 1 1 112 112 VAL H H 112 8.032 8.032 8.673 -0.641 25124 7602 1 11 . 1 1 113 113 ALA N N 113 120.198 120.198 120.039 0.159 25124 7603 1 11 . 1 1 113 113 ALA HA H 113 4.159 4.159 4.212 -0.053 25124 7604 1 11 . 1 1 113 113 ALA C C 113 180.589 180.589 179.138 1.451 25124 7605 1 11 . 1 1 113 113 ALA CA C 113 54.902 54.902 54.212 0.691 25124 7606 1 11 . 1 1 113 113 ALA CB C 113 17.980 17.980 18.715 -0.735 25124 7607 1 11 . 1 1 113 113 ALA H H 113 7.723 7.723 7.929 -0.206 25124 7608 1 11 . 1 1 114 114 LEU N N 114 120.742 120.742 120.044 0.698 25124 7609 1 11 . 1 1 114 114 LEU HA H 114 4.102 4.102 4.255 -0.153 25124 7610 1 11 . 1 1 114 114 LEU C C 114 178.605 178.605 178.236 0.369 25124 7611 1 11 . 1 1 114 114 LEU CA C 114 58.181 58.181 57.096 1.085 25124 7612 1 11 . 1 1 114 114 LEU CB C 114 42.032 42.032 42.105 -0.073 25124 7613 1 11 . 1 1 114 114 LEU H H 114 7.928 7.928 7.427 0.501 25124 7614 1 11 . 1 1 115 115 VAL N N 115 119.478 119.478 119.173 0.305 25124 7615 1 11 . 1 1 115 115 VAL HA H 115 3.250 3.250 3.488 -0.238 25124 7616 1 11 . 1 1 115 115 VAL C C 115 177.548 177.548 177.609 -0.061 25124 7617 1 11 . 1 1 115 115 VAL CA C 115 67.168 67.168 67.544 -0.376 25124 7618 1 11 . 1 1 115 115 VAL CB C 115 30.760 30.760 31.538 -0.778 25124 7619 1 11 . 1 1 115 115 VAL H H 115 7.846 7.846 8.219 -0.373 25124 7620 1 11 . 1 1 116 116 GLU N N 116 117.570 117.570 117.066 0.504 25124 7621 1 11 . 1 1 116 116 GLU HA H 116 3.809 3.809 4.044 -0.235 25124 7622 1 11 . 1 1 116 116 GLU C C 116 179.557 179.557 178.512 1.045 25124 7623 1 11 . 1 1 116 116 GLU CA C 116 59.974 59.974 58.457 1.517 25124 7624 1 11 . 1 1 116 116 GLU CB C 116 29.084 29.084 29.071 0.013 25124 7625 1 11 . 1 1 116 116 GLU H H 116 8.462 8.462 8.124 0.338 25124 7626 1 11 . 1 1 117 117 ARG N N 117 120.263 120.263 119.926 0.337 25124 7627 1 11 . 1 1 117 117 ARG HA H 117 4.109 4.109 4.117 -0.008 25124 7628 1 11 . 1 1 117 117 ARG C C 117 178.500 178.500 178.015 0.485 25124 7629 1 11 . 1 1 117 117 ARG CA C 117 59.411 59.411 59.479 -0.068 25124 7630 1 11 . 1 1 117 117 ARG CB C 117 30.414 30.414 30.217 0.197 25124 7631 1 11 . 1 1 117 117 ARG H H 117 8.090 8.090 7.537 0.553 25124 7632 1 11 . 1 1 118 118 ALA N N 118 122.157 122.157 119.191 2.966 25124 7633 1 11 . 1 1 118 118 ALA HA H 118 3.467 3.467 3.875 -0.408 25124 7634 1 11 . 1 1 118 118 ALA C C 118 178.632 178.632 179.556 -0.924 25124 7635 1 11 . 1 1 118 118 ALA CA C 118 54.739 54.739 53.691 1.048 25124 7636 1 11 . 1 1 118 118 ALA CB C 118 18.280 18.280 18.427 -0.147 25124 7637 1 11 . 1 1 118 118 ALA H H 118 8.005 8.005 7.160 0.845 25124 7638 1 11 . 1 1 119 119 ILE N N 119 115.429 115.429 119.684 -4.255 25124 7639 1 11 . 1 1 119 119 ILE HA H 119 3.706 3.706 3.802 -0.096 25124 7640 1 11 . 1 1 119 119 ILE C C 119 177.442 177.442 177.832 -0.390 25124 7641 1 11 . 1 1 119 119 ILE CA C 119 63.910 63.910 64.735 -0.825 25124 7642 1 11 . 1 1 119 119 ILE CB C 119 37.939 37.939 37.487 0.452 25124 7643 1 11 . 1 1 119 119 ILE H H 119 7.788 7.788 7.515 0.273 25124 7644 1 11 . 1 1 120 120 SER N N 120 114.902 114.902 114.474 0.428 25124 7645 1 11 . 1 1 120 120 SER HA H 120 4.285 4.285 4.079 0.206 25124 7646 1 11 . 1 1 120 120 SER C C 120 175.142 175.142 175.867 -0.725 25124 7647 1 11 . 1 1 120 120 SER CA C 120 59.871 59.871 60.757 -0.886 25124 7648 1 11 . 1 1 120 120 SER CB C 120 63.522 63.522 63.151 0.371 25124 7649 1 11 . 1 1 120 120 SER H H 120 7.881 7.881 8.371 -0.490 25124 7650 1 11 . 1 1 121 121 HIS N N 121 119.927 119.927 120.299 -0.372 25124 7651 1 11 . 1 1 121 121 HIS HA H 121 4.439 4.439 4.354 0.085 25124 7652 1 11 . 1 1 121 121 HIS C C 121 174.957 174.957 175.950 -0.993 25124 7653 1 11 . 1 1 121 121 HIS CA C 121 57.362 57.362 58.605 -1.243 25124 7654 1 11 . 1 1 121 121 HIS CB C 121 29.496 29.496 30.218 -0.722 25124 7655 1 11 . 1 1 121 121 HIS H H 121 7.960 7.960 8.023 -0.063 25124 7656 1 11 . 1 1 122 122 TYR N N 122 118.745 118.745 113.851 4.894 25124 7657 1 11 . 1 1 122 122 TYR HA H 122 4.455 4.455 4.683 -0.228 25124 7658 1 11 . 1 1 122 122 TYR C C 122 175.353 175.353 175.331 0.022 25124 7659 1 11 . 1 1 122 122 TYR CA C 122 58.528 58.528 57.355 1.173 25124 7660 1 11 . 1 1 122 122 TYR CB C 122 38.726 38.726 39.864 -1.138 25124 7661 1 11 . 1 1 122 122 TYR H H 122 7.776 7.776 7.327 0.449 25124 7662 1 11 . 1 1 123 123 GLN N N 123 121.424 121.424 118.794 2.630 25124 7663 1 11 . 1 1 123 123 GLN HA H 123 4.294 4.294 3.662 0.632 25124 7664 1 11 . 1 1 123 123 GLN C C 123 174.560 174.560 174.827 -0.267 25124 7665 1 11 . 1 1 123 123 GLN CA C 123 55.658 55.658 56.697 -1.039 25124 7666 1 11 . 1 1 123 123 GLN CB C 123 29.877 29.877 27.847 2.030 25124 7667 1 11 . 1 1 123 123 GLN H H 123 7.904 7.904 7.221 0.683 25124 7668 1 12 . 1 1 2 2 GLN HA H 2 4.453 4.453 4.132 0.321 25124 7669 1 12 . 1 1 2 2 GLN C C 2 174.930 174.930 174.038 0.892 25124 7670 1 12 . 1 1 2 2 GLN CA C 2 55.627 55.627 55.847 -0.220 25124 7671 1 12 . 1 1 2 2 GLN CB C 2 29.312 29.312 28.465 0.847 25124 7672 1 12 . 1 1 3 3 ARG N N 3 121.349 121.349 120.122 1.227 25124 7673 1 12 . 1 1 3 3 ARG HA H 3 4.390 4.390 4.448 -0.058 25124 7674 1 12 . 1 1 3 3 ARG C C 3 175.723 175.723 173.938 1.785 25124 7675 1 12 . 1 1 3 3 ARG CA C 3 56.041 56.041 55.922 0.119 25124 7676 1 12 . 1 1 3 3 ARG CB C 3 31.395 31.395 32.817 -1.422 25124 7677 1 12 . 1 1 3 3 ARG H H 3 8.451 8.451 8.191 0.260 25124 7678 1 12 . 1 1 4 4 GLY N N 4 107.889 107.889 111.092 -3.203 25124 7679 1 12 . 1 1 4 4 GLY C C 4 171.122 171.122 172.171 -1.049 25124 7680 1 12 . 1 1 4 4 GLY CA C 4 45.333 45.333 45.107 0.226 25124 7681 1 12 . 1 1 4 4 GLY H H 4 8.037 8.037 8.325 -0.288 25124 7682 1 12 . 1 1 5 5 ILE N N 5 122.674 122.674 121.106 1.568 25124 7683 1 12 . 1 1 5 5 ILE HA H 5 4.731 4.731 3.944 0.787 25124 7684 1 12 . 1 1 5 5 ILE C C 5 175.459 175.459 174.833 0.626 25124 7685 1 12 . 1 1 5 5 ILE CA C 5 60.614 60.614 62.724 -2.110 25124 7686 1 12 . 1 1 5 5 ILE CB C 5 39.535 39.535 38.035 1.500 25124 7687 1 12 . 1 1 5 5 ILE H H 5 9.605 9.605 8.486 1.119 25124 7688 1 12 . 1 1 6 6 VAL N N 6 127.532 127.532 127.800 -0.268 25124 7689 1 12 . 1 1 6 6 VAL HA H 6 4.892 4.892 4.350 0.542 25124 7690 1 12 . 1 1 6 6 VAL C C 6 174.110 174.110 174.502 -0.392 25124 7691 1 12 . 1 1 6 6 VAL CA C 6 59.255 59.255 61.357 -2.102 25124 7692 1 12 . 1 1 6 6 VAL CB C 6 34.530 34.530 33.281 1.249 25124 7693 1 12 . 1 1 6 6 VAL H H 6 9.135 9.135 8.136 0.999 25124 7694 1 12 . 1 1 7 7 TRP N N 7 127.409 127.409 127.424 -0.015 25124 7695 1 12 . 1 1 7 7 TRP HA H 7 6.447 6.447 5.169 1.278 25124 7696 1 12 . 1 1 7 7 TRP C C 7 175.089 175.089 175.275 -0.186 25124 7697 1 12 . 1 1 7 7 TRP CA C 7 52.797 52.797 54.611 -1.814 25124 7698 1 12 . 1 1 7 7 TRP CB C 7 33.255 33.255 30.526 2.729 25124 7699 1 12 . 1 1 7 7 TRP H H 7 8.544 8.544 8.593 -0.049 25124 7700 1 12 . 1 1 8 8 VAL N N 8 122.270 122.270 123.437 -1.167 25124 7701 1 12 . 1 1 8 8 VAL HA H 8 5.135 5.135 4.445 0.690 25124 7702 1 12 . 1 1 8 8 VAL C C 8 173.820 173.820 173.974 -0.154 25124 7703 1 12 . 1 1 8 8 VAL CA C 8 60.457 60.457 61.742 -1.285 25124 7704 1 12 . 1 1 8 8 VAL CB C 8 35.893 35.893 34.082 1.811 25124 7705 1 12 . 1 1 8 8 VAL H H 8 8.643 8.643 8.640 0.003 25124 7706 1 12 . 1 1 9 9 VAL N N 9 126.806 126.806 128.446 -1.640 25124 7707 1 12 . 1 1 9 9 VAL HA H 9 5.192 5.192 4.207 0.985 25124 7708 1 12 . 1 1 9 9 VAL C C 9 172.550 172.550 173.950 -1.400 25124 7709 1 12 . 1 1 9 9 VAL CA C 9 58.384 58.384 61.748 -3.364 25124 7710 1 12 . 1 1 9 9 VAL CB C 9 34.135 34.135 32.418 1.717 25124 7711 1 12 . 1 1 9 9 VAL H H 9 9.113 9.113 8.607 0.506 25124 7712 1 12 . 1 1 10 10 ASP N N 10 125.011 125.011 125.682 -0.671 25124 7713 1 12 . 1 1 10 10 ASP HA H 10 4.554 4.554 4.802 -0.248 25124 7714 1 12 . 1 1 10 10 ASP C C 10 174.877 174.877 174.359 0.518 25124 7715 1 12 . 1 1 10 10 ASP CA C 10 55.066 55.066 52.893 2.173 25124 7716 1 12 . 1 1 10 10 ASP CB C 10 44.131 44.131 43.538 0.593 25124 7717 1 12 . 1 1 10 10 ASP H H 10 7.881 7.881 8.002 -0.121 25124 7718 1 12 . 1 1 11 11 ASP N N 11 124.048 124.048 120.028 4.020 25124 7719 1 12 . 1 1 11 11 ASP HA H 11 4.613 4.613 4.726 -0.113 25124 7720 1 12 . 1 1 11 11 ASP C C 11 175.089 175.089 174.585 0.504 25124 7721 1 12 . 1 1 11 11 ASP CA C 11 55.346 55.346 53.396 1.950 25124 7722 1 12 . 1 1 11 11 ASP CB C 11 39.583 39.583 39.196 0.388 25124 7723 1 12 . 1 1 11 11 ASP H H 11 9.166 9.166 8.635 0.531 25124 7724 1 12 . 1 1 12 12 ASP N N 12 125.165 125.165 121.325 3.840 25124 7725 1 12 . 1 1 12 12 ASP HA H 12 4.757 4.757 4.767 -0.010 25124 7726 1 12 . 1 1 12 12 ASP C C 12 176.993 176.993 176.245 0.748 25124 7727 1 12 . 1 1 12 12 ASP CA C 12 53.112 53.112 54.114 -1.002 25124 7728 1 12 . 1 1 12 12 ASP CB C 12 41.072 41.072 44.738 -3.666 25124 7729 1 12 . 1 1 12 12 ASP H H 12 10.290 10.290 7.660 2.630 25124 7730 1 12 . 1 1 13 13 SER N N 13 123.818 123.818 120.092 3.726 25124 7731 1 12 . 1 1 13 13 SER HA H 13 3.719 3.719 4.288 -0.569 25124 7732 1 12 . 1 1 13 13 SER C C 13 176.146 176.146 175.842 0.304 25124 7733 1 12 . 1 1 13 13 SER CA C 13 61.341 61.341 60.423 0.918 25124 7734 1 12 . 1 1 13 13 SER CB C 13 62.638 62.638 63.568 -0.930 25124 7735 1 12 . 1 1 13 13 SER H H 13 8.993 8.993 8.563 0.430 25124 7736 1 12 . 1 1 14 14 SER N N 14 118.714 118.714 117.146 1.568 25124 7737 1 12 . 1 1 14 14 SER HA H 14 4.322 4.322 4.532 -0.210 25124 7738 1 12 . 1 1 14 14 SER C C 14 176.411 176.411 176.045 0.366 25124 7739 1 12 . 1 1 14 14 SER CA C 14 61.717 61.717 60.852 0.865 25124 7740 1 12 . 1 1 14 14 SER CB C 14 62.554 62.554 62.986 -0.432 25124 7741 1 12 . 1 1 14 14 SER H H 14 8.499 8.499 8.041 0.458 25124 7742 1 12 . 1 1 15 15 ILE N N 15 122.822 122.822 121.051 1.771 25124 7743 1 12 . 1 1 15 15 ILE HA H 15 3.972 3.972 3.765 0.207 25124 7744 1 12 . 1 1 15 15 ILE C C 15 177.786 177.786 178.413 -0.627 25124 7745 1 12 . 1 1 15 15 ILE CA C 15 60.784 60.784 63.491 -2.707 25124 7746 1 12 . 1 1 15 15 ILE CB C 15 36.016 36.016 36.530 -0.514 25124 7747 1 12 . 1 1 15 15 ILE H H 15 7.011 7.011 7.907 -0.896 25124 7748 1 12 . 1 1 16 16 ARG N N 16 116.580 116.580 118.168 -1.588 25124 7749 1 12 . 1 1 16 16 ARG HA H 16 3.711 3.711 4.133 -0.422 25124 7750 1 12 . 1 1 16 16 ARG C C 16 177.336 177.336 178.583 -1.247 25124 7751 1 12 . 1 1 16 16 ARG CA C 16 61.632 61.632 59.572 2.059 25124 7752 1 12 . 1 1 16 16 ARG CB C 16 30.520 30.520 30.438 0.082 25124 7753 1 12 . 1 1 16 16 ARG H H 16 7.370 7.370 7.826 -0.456 25124 7754 1 12 . 1 1 17 17 TRP N N 17 116.893 116.893 122.131 -5.238 25124 7755 1 12 . 1 1 17 17 TRP HA H 17 4.481 4.481 4.510 -0.029 25124 7756 1 12 . 1 1 17 17 TRP C C 17 178.394 178.394 178.078 0.316 25124 7757 1 12 . 1 1 17 17 TRP CA C 17 60.482 60.482 60.533 -0.052 25124 7758 1 12 . 1 1 17 17 TRP CB C 17 29.372 29.372 29.496 -0.124 25124 7759 1 12 . 1 1 17 17 TRP H H 17 8.020 8.020 7.511 0.509 25124 7760 1 12 . 1 1 18 18 VAL N N 18 116.799 116.799 117.556 -0.757 25124 7761 1 12 . 1 1 18 18 VAL HA H 18 3.662 3.662 2.707 0.955 25124 7762 1 12 . 1 1 18 18 VAL C C 18 179.161 179.161 177.745 1.416 25124 7763 1 12 . 1 1 18 18 VAL CA C 18 65.858 65.858 65.338 0.520 25124 7764 1 12 . 1 1 18 18 VAL CB C 18 31.792 31.792 30.265 1.527 25124 7765 1 12 . 1 1 18 18 VAL H H 18 8.085 8.085 8.593 -0.508 25124 7766 1 12 . 1 1 19 19 LEU N N 19 119.595 119.595 120.739 -1.144 25124 7767 1 12 . 1 1 19 19 LEU HA H 19 4.083 4.083 3.834 0.249 25124 7768 1 12 . 1 1 19 19 LEU C C 19 177.759 177.759 178.656 -0.897 25124 7769 1 12 . 1 1 19 19 LEU CA C 19 57.971 57.971 57.878 0.093 25124 7770 1 12 . 1 1 19 19 LEU CB C 19 41.863 41.863 41.502 0.361 25124 7771 1 12 . 1 1 19 19 LEU H H 19 8.035 8.035 7.372 0.663 25124 7772 1 12 . 1 1 20 20 GLU N N 20 120.318 120.318 119.352 0.966 25124 7773 1 12 . 1 1 20 20 GLU HA H 20 4.007 4.007 3.871 0.136 25124 7774 1 12 . 1 1 20 20 GLU C C 20 178.500 178.500 179.270 -0.770 25124 7775 1 12 . 1 1 20 20 GLU CA C 20 60.567 60.567 59.278 1.289 25124 7776 1 12 . 1 1 20 20 GLU CB C 20 29.073 29.073 29.372 -0.299 25124 7777 1 12 . 1 1 20 20 GLU H H 20 8.417 8.417 7.603 0.814 25124 7778 1 12 . 1 1 21 21 ARG N N 21 115.981 115.981 117.510 -1.529 25124 7779 1 12 . 1 1 21 21 ARG HA H 21 3.898 3.898 3.920 -0.022 25124 7780 1 12 . 1 1 21 21 ARG C C 21 179.769 179.769 178.036 1.733 25124 7781 1 12 . 1 1 21 21 ARG CA C 21 58.491 58.491 58.675 -0.184 25124 7782 1 12 . 1 1 21 21 ARG CB C 21 29.966 29.966 29.756 0.210 25124 7783 1 12 . 1 1 21 21 ARG H H 21 7.579 7.579 7.747 -0.168 25124 7784 1 12 . 1 1 22 22 ALA N N 22 122.267 122.267 121.703 0.564 25124 7785 1 12 . 1 1 22 22 ALA HA H 22 4.110 4.110 4.223 -0.113 25124 7786 1 12 . 1 1 22 22 ALA C C 22 180.456 180.456 179.677 0.779 25124 7787 1 12 . 1 1 22 22 ALA CA C 22 54.643 54.643 54.449 0.194 25124 7788 1 12 . 1 1 22 22 ALA CB C 22 19.225 19.225 18.723 0.502 25124 7789 1 12 . 1 1 22 22 ALA H H 22 7.933 7.933 7.635 0.298 25124 7790 1 12 . 1 1 23 23 LEU N N 23 118.139 118.139 119.792 -1.653 25124 7791 1 12 . 1 1 23 23 LEU HA H 23 4.005 4.005 3.884 0.121 25124 7792 1 12 . 1 1 23 23 LEU C C 23 178.843 178.843 179.412 -0.569 25124 7793 1 12 . 1 1 23 23 LEU CA C 23 57.765 57.765 57.891 -0.126 25124 7794 1 12 . 1 1 23 23 LEU CB C 23 39.919 39.919 41.409 -1.490 25124 7795 1 12 . 1 1 23 23 LEU H H 23 8.855 8.855 8.451 0.404 25124 7796 1 12 . 1 1 24 24 ALA N N 24 122.164 122.164 119.659 2.505 25124 7797 1 12 . 1 1 24 24 ALA HA H 24 4.665 4.665 4.059 0.606 25124 7798 1 12 . 1 1 24 24 ALA C C 24 183.206 183.206 179.495 3.711 25124 7799 1 12 . 1 1 24 24 ALA CA C 24 54.812 54.812 54.438 0.374 25124 7800 1 12 . 1 1 24 24 ALA CB C 24 17.820 17.820 18.338 -0.518 25124 7801 1 12 . 1 1 24 24 ALA H H 24 8.238 8.238 7.966 0.272 25124 7802 1 12 . 1 1 25 25 GLY N N 25 106.903 106.903 105.772 1.131 25124 7803 1 12 . 1 1 25 25 GLY C C 25 174.375 174.375 175.353 -0.978 25124 7804 1 12 . 1 1 25 25 GLY CA C 25 46.550 46.550 45.642 0.908 25124 7805 1 12 . 1 1 25 25 GLY H H 25 7.907 7.907 7.686 0.221 25124 7806 1 12 . 1 1 26 26 ALA N N 26 121.832 121.832 122.031 -0.199 25124 7807 1 12 . 1 1 26 26 ALA HA H 26 4.505 4.505 4.510 -0.005 25124 7808 1 12 . 1 1 26 26 ALA CA C 26 51.585 51.585 51.793 -0.208 25124 7809 1 12 . 1 1 26 26 ALA CB C 26 18.799 18.799 19.280 -0.482 25124 7810 1 12 . 1 1 26 26 ALA H H 26 7.316 7.316 8.025 -0.709 25124 7811 1 12 . 1 1 27 27 GLY N N 27 106.146 106.146 106.811 -0.665 25124 7812 1 12 . 1 1 27 27 GLY C C 27 174.057 174.057 174.542 -0.485 25124 7813 1 12 . 1 1 27 27 GLY CA C 27 45.333 45.333 45.204 0.129 25124 7814 1 12 . 1 1 27 27 GLY H H 27 7.868 7.868 7.963 -0.095 25124 7815 1 12 . 1 1 28 28 LEU N N 28 120.273 120.273 121.439 -1.166 25124 7816 1 12 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.209 0.366 25124 7817 1 12 . 1 1 28 28 LEU C C 28 175.988 175.988 177.293 -1.305 25124 7818 1 12 . 1 1 28 28 LEU CA C 28 53.881 53.881 54.953 -1.072 25124 7819 1 12 . 1 1 28 28 LEU CB C 28 42.540 42.540 42.173 0.367 25124 7820 1 12 . 1 1 28 28 LEU H H 28 7.659 7.659 7.550 0.109 25124 7821 1 12 . 1 1 29 29 THR N N 29 118.173 118.173 119.412 -1.239 25124 7822 1 12 . 1 1 29 29 THR HA H 29 4.346 4.346 4.141 0.205 25124 7823 1 12 . 1 1 29 29 THR C C 29 173.344 173.344 173.696 -0.352 25124 7824 1 12 . 1 1 29 29 THR CA C 29 62.598 62.598 63.706 -1.108 25124 7825 1 12 . 1 1 29 29 THR CB C 29 69.423 69.423 68.848 0.575 25124 7826 1 12 . 1 1 29 29 THR H H 29 8.562 8.562 8.140 0.422 25124 7827 1 12 . 1 1 30 30 CYS N N 30 128.450 128.450 128.116 0.334 25124 7828 1 12 . 1 1 30 30 CYS HA H 30 6.012 6.012 4.617 1.395 25124 7829 1 12 . 1 1 30 30 CYS C C 30 173.978 173.978 173.814 0.164 25124 7830 1 12 . 1 1 30 30 CYS CA C 30 56.424 56.424 58.205 -1.781 25124 7831 1 12 . 1 1 30 30 CYS CB C 30 29.615 29.615 28.451 1.164 25124 7832 1 12 . 1 1 30 30 CYS H H 30 9.035 9.035 8.731 0.304 25124 7833 1 12 . 1 1 31 31 THR N N 31 126.377 126.377 124.321 2.056 25124 7834 1 12 . 1 1 31 31 THR HA H 31 4.442 4.442 4.585 -0.143 25124 7835 1 12 . 1 1 31 31 THR C C 31 172.683 172.683 172.941 -0.258 25124 7836 1 12 . 1 1 31 31 THR CA C 31 61.956 61.956 61.431 0.525 25124 7837 1 12 . 1 1 31 31 THR CB C 31 70.624 70.624 71.555 -0.931 25124 7838 1 12 . 1 1 31 31 THR H H 31 8.510 8.510 8.469 0.041 25124 7839 1 12 . 1 1 32 32 THR N N 32 115.988 115.988 112.770 3.218 25124 7840 1 12 . 1 1 32 32 THR HA H 32 5.454 5.454 4.774 0.680 25124 7841 1 12 . 1 1 32 32 THR C C 32 172.259 172.259 172.530 -0.271 25124 7842 1 12 . 1 1 32 32 THR CA C 32 59.101 59.101 60.879 -1.778 25124 7843 1 12 . 1 1 32 32 THR CB C 32 71.173 71.173 71.460 -0.287 25124 7844 1 12 . 1 1 32 32 THR H H 32 8.301 8.301 7.608 0.693 25124 7845 1 12 . 1 1 33 33 PHE N N 33 117.690 117.690 118.519 -0.829 25124 7846 1 12 . 1 1 33 33 PHE HA H 33 4.723 4.723 4.696 0.027 25124 7847 1 12 . 1 1 33 33 PHE C C 33 174.507 174.507 175.661 -1.154 25124 7848 1 12 . 1 1 33 33 PHE CA C 33 56.504 56.504 58.209 -1.705 25124 7849 1 12 . 1 1 33 33 PHE CB C 33 43.589 43.589 42.124 1.465 25124 7850 1 12 . 1 1 33 33 PHE H H 33 8.834 8.834 8.489 0.345 25124 7851 1 12 . 1 1 34 34 GLU N N 34 118.296 118.296 117.723 0.573 25124 7852 1 12 . 1 1 34 34 GLU HA H 34 4.451 4.451 4.154 0.297 25124 7853 1 12 . 1 1 34 34 GLU C C 34 174.957 174.957 174.668 0.289 25124 7854 1 12 . 1 1 34 34 GLU CA C 34 56.661 56.661 58.897 -2.236 25124 7855 1 12 . 1 1 34 34 GLU CB C 34 31.792 31.792 28.976 2.816 25124 7856 1 12 . 1 1 34 34 GLU H H 34 9.096 9.096 8.812 0.284 25124 7857 1 12 . 1 1 35 35 ASN N N 35 108.486 108.486 115.896 -7.410 25124 7858 1 12 . 1 1 35 35 ASN HA H 35 4.960 4.960 5.049 -0.089 25124 7859 1 12 . 1 1 35 35 ASN C C 35 175.353 175.353 176.930 -1.577 25124 7860 1 12 . 1 1 35 35 ASN CA C 35 52.364 52.364 51.632 0.732 25124 7861 1 12 . 1 1 35 35 ASN CB C 35 40.932 40.932 39.999 0.933 25124 7862 1 12 . 1 1 35 35 ASN H H 35 7.286 7.286 7.936 -0.650 25124 7863 1 12 . 1 1 36 36 GLY N N 36 105.329 105.329 109.073 -3.744 25124 7864 1 12 . 1 1 36 36 GLY C C 36 174.586 174.586 175.212 -0.626 25124 7865 1 12 . 1 1 36 36 GLY CA C 36 47.533 47.533 47.003 0.530 25124 7866 1 12 . 1 1 36 36 GLY H H 36 9.369 9.369 8.959 0.410 25124 7867 1 12 . 1 1 37 37 ASN N N 37 120.396 120.396 117.899 2.497 25124 7868 1 12 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.299 0.063 25124 7869 1 12 . 1 1 37 37 ASN C C 37 178.791 178.791 177.111 1.680 25124 7870 1 12 . 1 1 37 37 ASN CA C 37 56.843 56.843 55.958 0.885 25124 7871 1 12 . 1 1 37 37 ASN CB C 37 37.716 37.716 38.207 -0.491 25124 7872 1 12 . 1 1 37 37 ASN H H 37 8.440 8.440 8.285 0.155 25124 7873 1 12 . 1 1 38 38 GLU N N 38 119.334 119.334 119.507 -0.173 25124 7874 1 12 . 1 1 38 38 GLU HA H 38 4.058 4.058 4.114 -0.056 25124 7875 1 12 . 1 1 38 38 GLU C C 38 179.372 179.372 179.019 0.353 25124 7876 1 12 . 1 1 38 38 GLU CA C 38 58.790 58.790 59.371 -0.581 25124 7877 1 12 . 1 1 38 38 GLU CB C 38 30.692 30.692 29.811 0.881 25124 7878 1 12 . 1 1 38 38 GLU H H 38 8.063 8.063 8.138 -0.075 25124 7879 1 12 . 1 1 39 39 VAL N N 39 119.047 119.047 119.796 -0.749 25124 7880 1 12 . 1 1 39 39 VAL HA H 39 2.599 2.599 2.593 0.006 25124 7881 1 12 . 1 1 39 39 VAL C C 39 176.807 176.807 177.685 -0.878 25124 7882 1 12 . 1 1 39 39 VAL CA C 39 65.222 65.222 65.716 -0.494 25124 7883 1 12 . 1 1 39 39 VAL CB C 39 31.078 31.078 30.703 0.375 25124 7884 1 12 . 1 1 39 39 VAL H H 39 6.844 6.844 7.326 -0.482 25124 7885 1 12 . 1 1 40 40 LEU N N 40 118.385 118.385 121.796 -3.411 25124 7886 1 12 . 1 1 40 40 LEU HA H 40 3.929 3.929 3.966 -0.037 25124 7887 1 12 . 1 1 40 40 LEU C C 40 179.584 179.584 178.267 1.317 25124 7888 1 12 . 1 1 40 40 LEU CA C 40 57.943 57.943 58.173 -0.230 25124 7889 1 12 . 1 1 40 40 LEU CB C 40 40.932 40.932 40.196 0.736 25124 7890 1 12 . 1 1 40 40 LEU H H 40 7.715 7.715 7.773 -0.058 25124 7891 1 12 . 1 1 41 41 ALA N N 41 120.091 120.091 120.718 -0.627 25124 7892 1 12 . 1 1 41 41 ALA HA H 41 4.158 4.158 3.963 0.195 25124 7893 1 12 . 1 1 41 41 ALA C C 41 180.562 180.562 179.697 0.865 25124 7894 1 12 . 1 1 41 41 ALA CA C 41 54.717 54.717 55.021 -0.304 25124 7895 1 12 . 1 1 41 41 ALA CB C 41 17.853 17.853 18.023 -0.170 25124 7896 1 12 . 1 1 41 41 ALA H H 41 7.671 7.671 7.939 -0.268 25124 7897 1 12 . 1 1 42 42 ALA N N 42 122.650 122.650 120.518 2.132 25124 7898 1 12 . 1 1 42 42 ALA HA H 42 4.221 4.221 4.289 -0.068 25124 7899 1 12 . 1 1 42 42 ALA C C 42 180.166 180.166 179.565 0.601 25124 7900 1 12 . 1 1 42 42 ALA CA C 42 54.974 54.974 54.285 0.689 25124 7901 1 12 . 1 1 42 42 ALA CB C 42 19.488 19.488 18.346 1.142 25124 7902 1 12 . 1 1 42 42 ALA H H 42 7.573 7.573 7.331 0.242 25124 7903 1 12 . 1 1 43 43 LEU N N 43 119.321 119.321 121.718 -2.397 25124 7904 1 12 . 1 1 43 43 LEU HA H 43 5.260 5.260 4.524 0.736 25124 7905 1 12 . 1 1 43 43 LEU C C 43 177.389 177.389 179.869 -2.480 25124 7906 1 12 . 1 1 43 43 LEU CA C 43 55.446 55.446 58.062 -2.616 25124 7907 1 12 . 1 1 43 43 LEU CB C 43 42.879 42.879 41.825 1.054 25124 7908 1 12 . 1 1 43 43 LEU H H 43 8.289 8.289 8.452 -0.163 25124 7909 1 12 . 1 1 44 44 ALA N N 44 118.995 118.995 119.395 -0.400 25124 7910 1 12 . 1 1 44 44 ALA HA H 44 4.232 4.232 3.987 0.245 25124 7911 1 12 . 1 1 44 44 ALA C C 44 178.738 178.738 178.555 0.183 25124 7912 1 12 . 1 1 44 44 ALA CA C 44 54.353 54.353 54.768 -0.415 25124 7913 1 12 . 1 1 44 44 ALA CB C 44 18.674 18.674 18.733 -0.059 25124 7914 1 12 . 1 1 44 44 ALA H H 44 7.307 7.307 8.083 -0.776 25124 7915 1 12 . 1 1 45 45 SER N N 45 108.530 108.530 112.329 -3.799 25124 7916 1 12 . 1 1 45 45 SER HA H 45 4.761 4.761 4.340 0.421 25124 7917 1 12 . 1 1 45 45 SER C C 45 173.344 173.344 175.305 -1.961 25124 7918 1 12 . 1 1 45 45 SER CA C 45 58.682 58.682 60.366 -1.684 25124 7919 1 12 . 1 1 45 45 SER CB C 45 65.446 65.446 63.827 1.619 25124 7920 1 12 . 1 1 45 45 SER H H 45 7.772 7.772 7.999 -0.227 25124 7921 1 12 . 1 1 46 46 LYS N N 46 122.965 122.965 116.837 6.128 25124 7922 1 12 . 1 1 46 46 LYS HA H 46 4.608 4.608 4.664 -0.056 25124 7923 1 12 . 1 1 46 46 LYS C C 46 172.815 172.815 174.262 -1.447 25124 7924 1 12 . 1 1 46 46 LYS CA C 46 55.601 55.601 55.458 0.143 25124 7925 1 12 . 1 1 46 46 LYS CB C 46 36.399 36.399 36.687 -0.288 25124 7926 1 12 . 1 1 46 46 LYS H H 46 8.096 8.096 8.579 -0.483 25124 7927 1 12 . 1 1 47 47 THR N N 47 111.524 111.524 113.469 -1.945 25124 7928 1 12 . 1 1 47 47 THR HA H 47 4.307 4.307 4.420 -0.113 25124 7929 1 12 . 1 1 47 47 THR CA C 47 57.896 57.896 57.807 0.089 25124 7930 1 12 . 1 1 47 47 THR CB C 47 70.570 70.570 69.039 1.531 25124 7931 1 12 . 1 1 47 47 THR H H 47 7.708 7.708 8.106 -0.398 25124 7932 1 12 . 1 1 48 48 PRO HA H 48 3.944 3.944 3.909 0.035 25124 7933 1 12 . 1 1 48 48 PRO C C 48 173.079 173.079 175.798 -2.719 25124 7934 1 12 . 1 1 48 48 PRO CA C 48 60.922 60.922 61.988 -1.066 25124 7935 1 12 . 1 1 48 48 PRO CB C 48 30.353 30.353 32.249 -1.897 25124 7936 1 12 . 1 1 49 49 ASP N N 49 115.001 115.001 118.921 -3.920 25124 7937 1 12 . 1 1 49 49 ASP HA H 49 4.460 4.460 4.595 -0.135 25124 7938 1 12 . 1 1 49 49 ASP C C 49 175.591 175.591 176.019 -0.428 25124 7939 1 12 . 1 1 49 49 ASP CA C 49 56.504 56.504 55.309 1.195 25124 7940 1 12 . 1 1 49 49 ASP CB C 49 42.625 42.625 43.201 -0.576 25124 7941 1 12 . 1 1 49 49 ASP H H 49 8.535 8.535 8.092 0.443 25124 7942 1 12 . 1 1 50 50 VAL N N 50 111.832 111.832 118.491 -6.659 25124 7943 1 12 . 1 1 50 50 VAL HA H 50 4.316 4.316 4.380 -0.064 25124 7944 1 12 . 1 1 50 50 VAL C C 50 171.572 171.572 174.428 -2.856 25124 7945 1 12 . 1 1 50 50 VAL CA C 50 60.398 60.398 61.277 -0.879 25124 7946 1 12 . 1 1 50 50 VAL CB C 50 34.650 34.650 32.432 2.218 25124 7947 1 12 . 1 1 50 50 VAL H H 50 7.194 7.194 7.252 -0.058 25124 7948 1 12 . 1 1 51 51 LEU N N 51 127.785 127.785 126.879 0.906 25124 7949 1 12 . 1 1 51 51 LEU HA H 51 5.376 5.376 5.189 0.187 25124 7950 1 12 . 1 1 51 51 LEU C C 51 173.264 173.264 175.282 -2.018 25124 7951 1 12 . 1 1 51 51 LEU CA C 51 53.137 53.137 53.735 -0.598 25124 7952 1 12 . 1 1 51 51 LEU CB C 51 46.680 46.680 44.783 1.897 25124 7953 1 12 . 1 1 51 51 LEU H H 51 8.049 8.049 8.288 -0.239 25124 7954 1 12 . 1 1 52 52 LEU N N 52 128.943 128.943 125.713 3.230 25124 7955 1 12 . 1 1 52 52 LEU HA H 52 5.312 5.312 5.070 0.242 25124 7956 1 12 . 1 1 52 52 LEU C C 52 174.692 174.692 176.731 -2.039 25124 7957 1 12 . 1 1 52 52 LEU CA C 52 54.313 54.313 53.442 0.871 25124 7958 1 12 . 1 1 52 52 LEU CB C 52 43.961 43.961 40.872 3.089 25124 7959 1 12 . 1 1 52 52 LEU H H 52 9.278 9.278 8.048 1.230 25124 7960 1 12 . 1 1 53 53 SER N N 53 116.717 116.717 118.620 -1.903 25124 7961 1 12 . 1 1 53 53 SER HA H 53 5.395 5.395 4.232 1.163 25124 7962 1 12 . 1 1 53 53 SER C C 53 173.608 173.608 173.212 0.396 25124 7963 1 12 . 1 1 53 53 SER CA C 53 56.226 56.226 59.224 -2.998 25124 7964 1 12 . 1 1 53 53 SER CB C 53 65.753 65.753 64.563 1.190 25124 7965 1 12 . 1 1 53 53 SER H H 53 9.256 9.256 7.998 1.258 25124 7966 1 12 . 1 1 54 54 ASP N N 54 127.909 127.909 123.495 4.414 25124 7967 1 12 . 1 1 54 54 ASP HA H 54 5.622 5.622 5.341 0.281 25124 7968 1 12 . 1 1 54 54 ASP C C 54 175.723 175.723 175.222 0.501 25124 7969 1 12 . 1 1 54 54 ASP CA C 54 53.268 53.268 52.577 0.692 25124 7970 1 12 . 1 1 54 54 ASP CB C 54 44.386 44.386 43.622 0.764 25124 7971 1 12 . 1 1 54 54 ASP H H 54 8.219 8.219 8.480 -0.261 25124 7972 1 12 . 1 1 55 55 ILE N N 55 117.015 117.015 118.791 -1.776 25124 7973 1 12 . 1 1 55 55 ILE HA H 55 4.116 4.116 4.564 -0.448 25124 7974 1 12 . 1 1 55 55 ILE C C 55 176.913 176.913 174.900 2.013 25124 7975 1 12 . 1 1 55 55 ILE CA C 55 65.290 65.290 59.645 5.644 25124 7976 1 12 . 1 1 55 55 ILE CB C 55 38.487 38.487 36.609 1.878 25124 7977 1 12 . 1 1 55 55 ILE H H 55 7.812 7.812 8.348 -0.536 25124 7978 1 12 . 1 1 56 56 ARG N N 56 117.365 117.365 123.400 -6.035 25124 7979 1 12 . 1 1 56 56 ARG HA H 56 4.379 4.379 4.451 -0.072 25124 7980 1 12 . 1 1 56 56 ARG C C 56 172.788 172.788 174.105 -1.317 25124 7981 1 12 . 1 1 56 56 ARG CA C 56 57.034 57.034 56.398 0.636 25124 7982 1 12 . 1 1 56 56 ARG CB C 56 27.600 27.600 30.844 -3.244 25124 7983 1 12 . 1 1 56 56 ARG H H 56 8.991 8.991 7.714 1.277 25124 7984 1 12 . 1 1 57 57 MET N N 57 129.539 129.539 118.664 10.875 25124 7985 1 12 . 1 1 57 57 MET HA H 57 4.767 4.767 5.055 -0.288 25124 7986 1 12 . 1 1 57 57 MET CA C 57 53.641 53.641 53.278 0.363 25124 7987 1 12 . 1 1 57 57 MET CB C 57 36.484 36.484 34.011 2.473 25124 7988 1 12 . 1 1 57 57 MET H H 57 7.501 7.501 7.880 -0.379 25124 7989 1 12 . 1 1 58 58 PRO HA H 58 4.379 4.379 4.410 -0.031 25124 7990 1 12 . 1 1 58 58 PRO C C 58 177.495 177.495 178.021 -0.526 25124 7991 1 12 . 1 1 58 58 PRO CA C 58 63.104 63.104 63.895 -0.791 25124 7992 1 12 . 1 1 58 58 PRO CB C 58 31.922 31.922 32.183 -0.261 25124 7993 1 12 . 1 1 59 59 GLY N N 59 112.312 112.312 108.242 4.070 25124 7994 1 12 . 1 1 59 59 GLY C C 59 173.793 173.793 174.737 -0.944 25124 7995 1 12 . 1 1 59 59 GLY CA C 59 46.430 46.430 46.349 0.081 25124 7996 1 12 . 1 1 59 59 GLY H H 59 8.656 8.656 8.551 0.105 25124 7997 1 12 . 1 1 60 60 MET N N 60 124.343 124.343 118.176 6.167 25124 7998 1 12 . 1 1 60 60 MET HA H 60 4.344 4.344 4.606 -0.262 25124 7999 1 12 . 1 1 60 60 MET C C 60 174.190 174.190 174.995 -0.805 25124 8000 1 12 . 1 1 60 60 MET CA C 60 55.871 55.871 55.678 0.193 25124 8001 1 12 . 1 1 60 60 MET CB C 60 34.955 34.955 34.292 0.663 25124 8002 1 12 . 1 1 60 60 MET H H 60 7.778 7.778 8.297 -0.519 25124 8003 1 12 . 1 1 61 61 ASP N N 61 124.993 124.993 115.571 9.422 25124 8004 1 12 . 1 1 61 61 ASP HA H 61 4.870 4.870 4.714 0.156 25124 8005 1 12 . 1 1 61 61 ASP C C 61 176.966 176.966 174.990 1.976 25124 8006 1 12 . 1 1 61 61 ASP CA C 61 53.490 53.490 53.738 -0.248 25124 8007 1 12 . 1 1 61 61 ASP CB C 61 42.347 42.347 41.418 0.929 25124 8008 1 12 . 1 1 61 61 ASP H H 61 8.378 8.378 7.808 0.570 25124 8009 1 12 . 1 1 62 62 GLY N N 62 105.163 105.163 105.366 -0.203 25124 8010 1 12 . 1 1 62 62 GLY C C 62 175.935 175.935 175.614 0.321 25124 8011 1 12 . 1 1 62 62 GLY CA C 62 46.755 46.755 45.194 1.560 25124 8012 1 12 . 1 1 62 62 GLY H H 62 10.153 10.153 8.656 1.497 25124 8013 1 12 . 1 1 63 63 LEU N N 63 120.509 120.509 121.419 -0.910 25124 8014 1 12 . 1 1 63 63 LEU HA H 63 4.293 4.293 4.212 0.081 25124 8015 1 12 . 1 1 63 63 LEU C C 63 179.293 179.293 177.979 1.314 25124 8016 1 12 . 1 1 63 63 LEU CA C 63 57.148 57.148 56.621 0.527 25124 8017 1 12 . 1 1 63 63 LEU CB C 63 40.053 40.053 41.960 -1.907 25124 8018 1 12 . 1 1 63 63 LEU H H 63 8.119 8.119 7.945 0.174 25124 8019 1 12 . 1 1 64 64 ALA N N 64 126.234 126.234 122.350 3.884 25124 8020 1 12 . 1 1 64 64 ALA HA H 64 4.112 4.112 4.047 0.065 25124 8021 1 12 . 1 1 64 64 ALA C C 64 181.223 181.223 178.769 2.454 25124 8022 1 12 . 1 1 64 64 ALA CA C 64 54.802 54.802 54.838 -0.036 25124 8023 1 12 . 1 1 64 64 ALA CB C 64 18.133 18.133 18.191 -0.058 25124 8024 1 12 . 1 1 64 64 ALA H H 64 8.303 8.303 7.652 0.651 25124 8025 1 12 . 1 1 65 65 LEU N N 65 120.067 120.067 118.117 1.950 25124 8026 1 12 . 1 1 65 65 LEU HA H 65 4.044 4.044 4.223 -0.179 25124 8027 1 12 . 1 1 65 65 LEU C C 65 177.548 177.548 178.268 -0.720 25124 8028 1 12 . 1 1 65 65 LEU CA C 65 58.197 58.197 57.123 1.074 25124 8029 1 12 . 1 1 65 65 LEU CB C 65 41.727 41.727 42.520 -0.793 25124 8030 1 12 . 1 1 65 65 LEU H H 65 8.398 8.398 7.917 0.481 25124 8031 1 12 . 1 1 66 66 LEU N N 66 120.890 120.890 119.595 1.295 25124 8032 1 12 . 1 1 66 66 LEU HA H 66 3.848 3.848 3.972 -0.124 25124 8033 1 12 . 1 1 66 66 LEU C C 66 177.230 177.230 178.402 -1.172 25124 8034 1 12 . 1 1 66 66 LEU CA C 66 58.736 58.736 57.312 1.423 25124 8035 1 12 . 1 1 66 66 LEU CB C 66 41.803 41.803 41.826 -0.023 25124 8036 1 12 . 1 1 66 66 LEU H H 66 8.203 8.203 7.619 0.584 25124 8037 1 12 . 1 1 67 67 LYS N N 67 116.919 116.919 118.083 -1.164 25124 8038 1 12 . 1 1 67 67 LYS HA H 67 4.004 4.004 3.953 0.051 25124 8039 1 12 . 1 1 67 67 LYS C C 67 179.452 179.452 178.554 0.898 25124 8040 1 12 . 1 1 67 67 LYS CA C 67 59.733 59.733 58.726 1.007 25124 8041 1 12 . 1 1 67 67 LYS CB C 67 32.415 32.415 32.113 0.302 25124 8042 1 12 . 1 1 67 67 LYS H H 67 7.667 7.667 8.070 -0.403 25124 8043 1 12 . 1 1 68 68 GLN N N 68 116.851 116.851 118.979 -2.128 25124 8044 1 12 . 1 1 68 68 GLN HA H 68 4.046 4.046 4.028 0.018 25124 8045 1 12 . 1 1 68 68 GLN C C 68 179.319 179.319 177.929 1.390 25124 8046 1 12 . 1 1 68 68 GLN CA C 68 58.820 58.820 59.052 -0.232 25124 8047 1 12 . 1 1 68 68 GLN CB C 68 28.660 28.660 29.061 -0.401 25124 8048 1 12 . 1 1 68 68 GLN H H 68 7.677 7.677 7.464 0.213 25124 8049 1 12 . 1 1 69 69 ILE N N 69 120.670 120.670 115.910 4.760 25124 8050 1 12 . 1 1 69 69 ILE HA H 69 3.564 3.564 3.169 0.395 25124 8051 1 12 . 1 1 69 69 ILE C C 69 177.786 177.786 178.012 -0.226 25124 8052 1 12 . 1 1 69 69 ILE CA C 69 65.381 65.381 63.910 1.471 25124 8053 1 12 . 1 1 69 69 ILE CB C 69 37.186 37.186 37.002 0.184 25124 8054 1 12 . 1 1 69 69 ILE H H 69 8.918 8.918 7.447 1.471 25124 8055 1 12 . 1 1 70 70 LYS N N 70 118.002 118.002 119.639 -1.637 25124 8056 1 12 . 1 1 70 70 LYS HA H 70 3.936 3.936 3.951 -0.015 25124 8057 1 12 . 1 1 70 70 LYS C C 70 177.944 177.944 178.022 -0.078 25124 8058 1 12 . 1 1 70 70 LYS CA C 70 57.351 57.351 58.752 -1.401 25124 8059 1 12 . 1 1 70 70 LYS CB C 70 31.440 31.440 31.990 -0.550 25124 8060 1 12 . 1 1 70 70 LYS H H 70 8.592 8.592 7.418 1.174 25124 8061 1 12 . 1 1 71 71 GLN N N 71 114.891 114.891 114.859 0.032 25124 8062 1 12 . 1 1 71 71 GLN HA H 71 4.063 4.063 4.219 -0.156 25124 8063 1 12 . 1 1 71 71 GLN C C 71 177.019 177.019 177.596 -0.577 25124 8064 1 12 . 1 1 71 71 GLN CA C 71 58.007 58.007 56.868 1.139 25124 8065 1 12 . 1 1 71 71 GLN CB C 71 29.168 29.168 29.423 -0.255 25124 8066 1 12 . 1 1 71 71 GLN H H 71 7.266 7.266 7.695 -0.429 25124 8067 1 12 . 1 1 72 72 ARG N N 72 116.364 116.364 119.924 -3.560 25124 8068 1 12 . 1 1 72 72 ARG HA H 72 4.130 4.130 4.229 -0.099 25124 8069 1 12 . 1 1 72 72 ARG C C 72 175.803 175.803 176.333 -0.530 25124 8070 1 12 . 1 1 72 72 ARG CA C 72 57.174 57.174 57.636 -0.462 25124 8071 1 12 . 1 1 72 72 ARG CB C 72 32.638 32.638 31.427 1.211 25124 8072 1 12 . 1 1 72 72 ARG H H 72 7.254 7.254 8.016 -0.762 25124 8073 1 12 . 1 1 73 73 HIS N N 73 116.981 116.981 111.439 5.542 25124 8074 1 12 . 1 1 73 73 HIS HA H 73 4.994 4.994 4.975 0.019 25124 8075 1 12 . 1 1 73 73 HIS CA C 73 53.252 53.252 53.103 0.149 25124 8076 1 12 . 1 1 73 73 HIS CB C 73 31.026 31.026 29.298 1.728 25124 8077 1 12 . 1 1 73 73 HIS H H 73 8.828 8.828 7.510 1.318 25124 8078 1 12 . 1 1 74 74 PRO HA H 74 4.435 4.435 4.329 0.106 25124 8079 1 12 . 1 1 74 74 PRO C C 74 178.156 178.156 177.089 1.067 25124 8080 1 12 . 1 1 74 74 PRO CA C 74 65.284 65.284 64.154 1.130 25124 8081 1 12 . 1 1 74 74 PRO CB C 74 32.130 32.130 32.062 0.068 25124 8082 1 12 . 1 1 75 75 MET N N 75 114.676 114.676 116.335 -1.659 25124 8083 1 12 . 1 1 75 75 MET HA H 75 4.587 4.587 4.509 0.078 25124 8084 1 12 . 1 1 75 75 MET C C 75 176.067 176.067 175.601 0.466 25124 8085 1 12 . 1 1 75 75 MET CA C 75 54.304 54.304 56.598 -2.294 25124 8086 1 12 . 1 1 75 75 MET CB C 75 31.623 31.623 33.064 -1.441 25124 8087 1 12 . 1 1 75 75 MET H H 75 8.648 8.648 8.013 0.635 25124 8088 1 12 . 1 1 76 76 LEU N N 76 125.720 125.720 121.622 4.098 25124 8089 1 12 . 1 1 76 76 LEU HA H 76 4.293 4.293 4.347 -0.054 25124 8090 1 12 . 1 1 76 76 LEU CA C 76 53.472 53.472 52.060 1.412 25124 8091 1 12 . 1 1 76 76 LEU CB C 76 43.540 43.540 42.396 1.144 25124 8092 1 12 . 1 1 76 76 LEU H H 76 7.342 7.342 7.366 -0.024 25124 8093 1 12 . 1 1 77 77 PRO HA H 77 4.440 4.440 4.468 -0.028 25124 8094 1 12 . 1 1 77 77 PRO C C 77 175.062 175.062 175.323 -0.261 25124 8095 1 12 . 1 1 77 77 PRO CA C 77 62.841 62.841 62.724 0.117 25124 8096 1 12 . 1 1 77 77 PRO CB C 77 31.903 31.903 31.758 0.145 25124 8097 1 12 . 1 1 78 78 VAL N N 78 123.116 123.116 123.038 0.078 25124 8098 1 12 . 1 1 78 78 VAL HA H 78 5.093 5.093 4.245 0.848 25124 8099 1 12 . 1 1 78 78 VAL C C 78 175.776 175.776 174.823 0.953 25124 8100 1 12 . 1 1 78 78 VAL CA C 78 60.083 60.083 61.114 -1.031 25124 8101 1 12 . 1 1 78 78 VAL CB C 78 34.245 34.245 35.318 -1.073 25124 8102 1 12 . 1 1 78 78 VAL H H 78 8.369 8.369 8.153 0.216 25124 8103 1 12 . 1 1 79 79 ILE N N 79 129.166 129.166 122.149 7.017 25124 8104 1 12 . 1 1 79 79 ILE HA H 79 4.499 4.499 4.552 -0.053 25124 8105 1 12 . 1 1 79 79 ILE C C 79 174.295 174.295 174.734 -0.439 25124 8106 1 12 . 1 1 79 79 ILE CA C 79 60.030 60.030 59.829 0.201 25124 8107 1 12 . 1 1 79 79 ILE CB C 79 40.222 40.222 41.093 -0.871 25124 8108 1 12 . 1 1 79 79 ILE H H 79 9.436 9.436 8.355 1.081 25124 8109 1 12 . 1 1 80 80 ILE N N 80 128.234 128.234 124.453 3.781 25124 8110 1 12 . 1 1 80 80 ILE HA H 80 5.253 5.253 4.382 0.871 25124 8111 1 12 . 1 1 80 80 ILE C C 80 173.449 173.449 174.257 -0.808 25124 8112 1 12 . 1 1 80 80 ILE CA C 80 56.265 56.265 59.879 -3.614 25124 8113 1 12 . 1 1 80 80 ILE CB C 80 38.176 38.176 37.937 0.239 25124 8114 1 12 . 1 1 80 80 ILE H H 80 7.920 7.920 8.334 -0.414 25124 8115 1 12 . 1 1 81 81 MET N N 81 124.079 124.079 128.122 -4.043 25124 8116 1 12 . 1 1 81 81 MET HA H 81 5.489 5.489 4.633 0.856 25124 8117 1 12 . 1 1 81 81 MET C C 81 173.820 173.820 173.748 0.072 25124 8118 1 12 . 1 1 81 81 MET CA C 81 52.889 52.889 54.728 -1.839 25124 8119 1 12 . 1 1 81 81 MET CB C 81 36.663 36.663 34.887 1.776 25124 8120 1 12 . 1 1 81 81 MET H H 81 9.028 9.028 8.656 0.372 25124 8121 1 12 . 1 1 82 82 THR N N 82 108.434 108.434 118.000 -9.566 25124 8122 1 12 . 1 1 82 82 THR HA H 82 5.134 5.134 4.575 0.559 25124 8123 1 12 . 1 1 82 82 THR C C 82 172.550 172.550 172.245 0.305 25124 8124 1 12 . 1 1 82 82 THR CA C 82 60.642 60.642 60.702 -0.060 25124 8125 1 12 . 1 1 82 82 THR CB C 82 68.843 68.843 70.550 -1.707 25124 8126 1 12 . 1 1 82 82 THR H H 82 7.098 7.098 8.012 -0.914 25124 8127 1 12 . 1 1 83 83 ALA N N 83 128.991 128.991 122.235 6.756 25124 8128 1 12 . 1 1 83 83 ALA HA H 83 4.678 4.678 4.793 -0.115 25124 8129 1 12 . 1 1 83 83 ALA C C 83 177.812 177.812 177.382 0.430 25124 8130 1 12 . 1 1 83 83 ALA CA C 83 52.457 52.457 50.963 1.494 25124 8131 1 12 . 1 1 83 83 ALA CB C 83 19.396 19.396 20.969 -1.573 25124 8132 1 12 . 1 1 83 83 ALA H H 83 8.590 8.590 8.162 0.428 25124 8133 1 12 . 1 1 84 84 HIS N N 84 121.904 121.904 113.994 7.910 25124 8134 1 12 . 1 1 84 84 HIS HA H 84 4.576 4.576 4.299 0.277 25124 8135 1 12 . 1 1 84 84 HIS C C 84 175.512 175.512 176.368 -0.856 25124 8136 1 12 . 1 1 84 84 HIS CA C 84 56.674 56.674 57.926 -1.252 25124 8137 1 12 . 1 1 84 84 HIS CB C 84 29.589 29.589 29.667 -0.078 25124 8138 1 12 . 1 1 84 84 HIS H H 84 8.865 8.865 8.827 0.038 25124 8139 1 12 . 1 1 85 85 SER N N 85 114.679 114.679 114.835 -0.156 25124 8140 1 12 . 1 1 85 85 SER HA H 85 4.303 4.303 3.963 0.340 25124 8141 1 12 . 1 1 85 85 SER C C 85 174.560 174.560 174.199 0.361 25124 8142 1 12 . 1 1 85 85 SER CA C 85 58.970 58.970 58.631 0.339 25124 8143 1 12 . 1 1 85 85 SER CB C 85 62.829 62.829 63.075 -0.246 25124 8144 1 12 . 1 1 85 85 SER H H 85 8.016 8.016 7.511 0.505 25124 8145 1 12 . 1 1 86 86 ASP N N 86 122.325 122.325 123.137 -0.812 25124 8146 1 12 . 1 1 86 86 ASP HA H 86 4.761 4.761 4.340 0.421 25124 8147 1 12 . 1 1 86 86 ASP C C 86 176.094 176.094 176.929 -0.835 25124 8148 1 12 . 1 1 86 86 ASP CA C 86 53.627 53.627 55.452 -1.825 25124 8149 1 12 . 1 1 86 86 ASP CB C 86 40.942 40.942 40.337 0.605 25124 8150 1 12 . 1 1 86 86 ASP H H 86 8.054 8.054 8.618 -0.564 25124 8151 1 12 . 1 1 87 87 LEU N N 87 122.041 122.041 120.076 1.965 25124 8152 1 12 . 1 1 87 87 LEU HA H 87 4.069 4.069 4.015 0.054 25124 8153 1 12 . 1 1 87 87 LEU C C 87 177.892 177.892 177.387 0.505 25124 8154 1 12 . 1 1 87 87 LEU CA C 87 57.182 57.182 57.185 -0.003 25124 8155 1 12 . 1 1 87 87 LEU CB C 87 42.015 42.015 41.761 0.254 25124 8156 1 12 . 1 1 87 87 LEU H H 87 8.005 8.005 7.859 0.146 25124 8157 1 12 . 1 1 88 88 ASP N N 88 118.050 118.050 119.716 -1.666 25124 8158 1 12 . 1 1 88 88 ASP HA H 88 4.370 4.370 4.260 0.110 25124 8159 1 12 . 1 1 88 88 ASP C C 88 178.103 178.103 177.534 0.569 25124 8160 1 12 . 1 1 88 88 ASP CA C 88 56.342 56.342 57.555 -1.213 25124 8161 1 12 . 1 1 88 88 ASP CB C 88 40.280 40.280 40.290 -0.010 25124 8162 1 12 . 1 1 88 88 ASP H H 88 8.243 8.243 8.446 -0.203 25124 8163 1 12 . 1 1 89 89 ALA N N 89 122.780 122.780 121.765 1.015 25124 8164 1 12 . 1 1 89 89 ALA HA H 89 4.038 4.038 3.972 0.066 25124 8165 1 12 . 1 1 89 89 ALA C C 89 178.526 178.526 178.608 -0.082 25124 8166 1 12 . 1 1 89 89 ALA CA C 89 54.655 54.655 54.278 0.377 25124 8167 1 12 . 1 1 89 89 ALA CB C 89 18.809 18.809 18.471 0.338 25124 8168 1 12 . 1 1 89 89 ALA H H 89 7.890 7.890 7.790 0.100 25124 8169 1 12 . 1 1 90 90 ALA N N 90 120.040 120.040 120.826 -0.786 25124 8170 1 12 . 1 1 90 90 ALA HA H 90 3.254 3.254 3.753 -0.499 25124 8171 1 12 . 1 1 90 90 ALA C C 90 178.976 178.976 179.481 -0.505 25124 8172 1 12 . 1 1 90 90 ALA CA C 90 55.050 55.050 54.711 0.339 25124 8173 1 12 . 1 1 90 90 ALA CB C 90 17.725 17.725 17.931 -0.206 25124 8174 1 12 . 1 1 90 90 ALA H H 90 7.513 7.513 7.978 -0.465 25124 8175 1 12 . 1 1 91 91 VAL N N 91 116.635 116.635 117.424 -0.789 25124 8176 1 12 . 1 1 91 91 VAL HA H 91 3.637 3.637 3.818 -0.181 25124 8177 1 12 . 1 1 91 91 VAL C C 91 178.632 178.632 177.960 0.672 25124 8178 1 12 . 1 1 91 91 VAL CA C 91 65.971 65.971 65.839 0.132 25124 8179 1 12 . 1 1 91 91 VAL CB C 91 31.623 31.623 31.712 -0.089 25124 8180 1 12 . 1 1 91 91 VAL H H 91 7.877 7.877 7.394 0.483 25124 8181 1 12 . 1 1 92 92 SER N N 92 115.439 115.439 115.465 -0.026 25124 8182 1 12 . 1 1 92 92 SER HA H 92 4.215 4.215 4.087 0.128 25124 8183 1 12 . 1 1 92 92 SER C C 92 175.961 175.961 176.467 -0.506 25124 8184 1 12 . 1 1 92 92 SER CA C 92 61.401 61.401 61.640 -0.239 25124 8185 1 12 . 1 1 92 92 SER CB C 92 62.966 62.966 62.828 0.138 25124 8186 1 12 . 1 1 92 92 SER H H 92 7.912 7.912 7.646 0.266 25124 8187 1 12 . 1 1 93 93 ALA N N 93 122.647 122.647 123.612 -0.965 25124 8188 1 12 . 1 1 93 93 ALA HA H 93 3.786 3.786 3.993 -0.207 25124 8189 1 12 . 1 1 93 93 ALA C C 93 179.293 179.293 179.692 -0.399 25124 8190 1 12 . 1 1 93 93 ALA CA C 93 55.172 55.172 55.207 -0.035 25124 8191 1 12 . 1 1 93 93 ALA CB C 93 17.161 17.161 17.809 -0.648 25124 8192 1 12 . 1 1 93 93 ALA H H 93 8.199 8.199 8.285 -0.086 25124 8193 1 12 . 1 1 94 94 TYR N N 94 117.796 117.796 118.492 -0.696 25124 8194 1 12 . 1 1 94 94 TYR HA H 94 4.283 4.283 4.117 0.166 25124 8195 1 12 . 1 1 94 94 TYR C C 94 179.954 179.954 178.430 1.524 25124 8196 1 12 . 1 1 94 94 TYR CA C 94 61.216 61.216 60.961 0.256 25124 8197 1 12 . 1 1 94 94 TYR CB C 94 37.716 37.716 37.752 -0.036 25124 8198 1 12 . 1 1 94 94 TYR H H 94 8.065 8.065 7.484 0.581 25124 8199 1 12 . 1 1 95 95 GLN N N 95 120.057 120.057 116.283 3.774 25124 8200 1 12 . 1 1 95 95 GLN HA H 95 4.005 4.005 4.093 -0.088 25124 8201 1 12 . 1 1 95 95 GLN C C 95 177.680 177.680 178.220 -0.540 25124 8202 1 12 . 1 1 95 95 GLN CA C 95 58.471 58.471 58.000 0.471 25124 8203 1 12 . 1 1 95 95 GLN CB C 95 28.334 28.334 28.648 -0.314 25124 8204 1 12 . 1 1 95 95 GLN H H 95 8.513 8.513 7.680 0.833 25124 8205 1 12 . 1 1 96 96 GLN N N 96 115.323 115.323 117.241 -1.918 25124 8206 1 12 . 1 1 96 96 GLN HA H 96 4.321 4.321 4.303 0.018 25124 8207 1 12 . 1 1 96 96 GLN C C 96 175.538 175.538 176.564 -1.026 25124 8208 1 12 . 1 1 96 96 GLN CA C 96 55.379 55.379 56.348 -0.969 25124 8209 1 12 . 1 1 96 96 GLN CB C 96 28.915 28.915 29.861 -0.946 25124 8210 1 12 . 1 1 96 96 GLN H H 96 7.774 7.774 7.918 -0.144 25124 8211 1 12 . 1 1 97 97 GLY N N 97 104.173 104.173 105.597 -1.424 25124 8212 1 12 . 1 1 97 97 GLY C C 97 175.168 175.168 173.457 1.711 25124 8213 1 12 . 1 1 97 97 GLY CA C 97 45.491 45.491 44.620 0.872 25124 8214 1 12 . 1 1 97 97 GLY H H 97 7.576 7.576 7.874 -0.298 25124 8215 1 12 . 1 1 98 98 ALA N N 98 123.484 123.484 121.712 1.772 25124 8216 1 12 . 1 1 98 98 ALA HA H 98 4.266 4.266 4.470 -0.204 25124 8217 1 12 . 1 1 98 98 ALA C C 98 176.067 176.067 176.414 -0.347 25124 8218 1 12 . 1 1 98 98 ALA CA C 98 53.008 53.008 52.296 0.712 25124 8219 1 12 . 1 1 98 98 ALA CB C 98 18.556 18.556 19.799 -1.242 25124 8220 1 12 . 1 1 98 98 ALA H H 98 8.358 8.358 7.741 0.617 25124 8221 1 12 . 1 1 99 99 PHE N N 99 123.551 123.551 120.691 2.860 25124 8222 1 12 . 1 1 99 99 PHE HA H 99 4.259 4.259 4.749 -0.490 25124 8223 1 12 . 1 1 99 99 PHE C C 99 175.432 175.432 175.550 -0.118 25124 8224 1 12 . 1 1 99 99 PHE CA C 99 60.274 60.274 59.521 0.753 25124 8225 1 12 . 1 1 99 99 PHE CB C 99 40.375 40.375 41.282 -0.907 25124 8226 1 12 . 1 1 99 99 PHE H H 99 9.477 9.477 8.430 1.047 25124 8227 1 12 . 1 1 100 100 ASP N N 100 110.678 110.678 114.252 -3.574 25124 8228 1 12 . 1 1 100 100 ASP HA H 100 4.547 4.547 4.833 -0.286 25124 8229 1 12 . 1 1 100 100 ASP C C 100 173.053 173.053 173.580 -0.527 25124 8230 1 12 . 1 1 100 100 ASP CA C 100 52.527 52.527 54.110 -1.583 25124 8231 1 12 . 1 1 100 100 ASP CB C 100 44.789 44.789 43.753 1.036 25124 8232 1 12 . 1 1 100 100 ASP H H 100 7.683 7.683 7.947 -0.264 25124 8233 1 12 . 1 1 101 101 TYR N N 101 122.174 122.174 121.836 0.338 25124 8234 1 12 . 1 1 101 101 TYR HA H 101 5.425 5.425 5.423 0.002 25124 8235 1 12 . 1 1 101 101 TYR C C 101 172.550 172.550 174.385 -1.835 25124 8236 1 12 . 1 1 101 101 TYR CA C 101 55.865 55.865 56.297 -0.432 25124 8237 1 12 . 1 1 101 101 TYR CB C 101 41.760 41.760 39.403 2.357 25124 8238 1 12 . 1 1 101 101 TYR H H 101 9.874 9.874 8.681 1.193 25124 8239 1 12 . 1 1 102 102 LEU N N 102 129.337 129.337 129.758 -0.421 25124 8240 1 12 . 1 1 102 102 LEU HA H 102 4.677 4.677 4.673 0.004 25124 8241 1 12 . 1 1 102 102 LEU CA C 102 50.418 50.418 50.622 -0.204 25124 8242 1 12 . 1 1 102 102 LEU CB C 102 45.066 45.066 43.552 1.514 25124 8243 1 12 . 1 1 102 102 LEU H H 102 8.974 8.974 7.841 1.133 25124 8244 1 12 . 1 1 103 103 PRO HA H 103 4.552 4.552 4.283 0.269 25124 8245 1 12 . 1 1 103 103 PRO C C 103 176.067 176.067 175.622 0.445 25124 8246 1 12 . 1 1 103 103 PRO CA C 103 61.951 61.951 62.184 -0.233 25124 8247 1 12 . 1 1 103 103 PRO CB C 103 31.829 31.829 32.342 -0.513 25124 8248 1 12 . 1 1 104 104 LYS N N 104 118.403 118.403 119.452 -1.049 25124 8249 1 12 . 1 1 104 104 LYS HA H 104 4.459 4.459 4.961 -0.502 25124 8250 1 12 . 1 1 104 104 LYS CA C 104 53.204 53.204 53.752 -0.548 25124 8251 1 12 . 1 1 104 104 LYS CB C 104 34.500 34.500 31.799 2.701 25124 8252 1 12 . 1 1 104 104 LYS H H 104 8.013 8.013 8.316 -0.303 25124 8253 1 12 . 1 1 105 105 PRO HA H 105 4.258 4.258 4.545 -0.287 25124 8254 1 12 . 1 1 105 105 PRO C C 105 174.930 174.930 175.938 -1.008 25124 8255 1 12 . 1 1 105 105 PRO CA C 105 62.213 62.213 63.124 -0.911 25124 8256 1 12 . 1 1 105 105 PRO CB C 105 34.151 34.151 31.902 2.248 25124 8257 1 12 . 1 1 106 106 PHE N N 106 116.796 116.796 120.022 -3.226 25124 8258 1 12 . 1 1 106 106 PHE HA H 106 5.169 5.169 4.783 0.386 25124 8259 1 12 . 1 1 106 106 PHE C C 106 175.194 175.194 174.411 0.783 25124 8260 1 12 . 1 1 106 106 PHE CA C 106 53.244 53.244 55.322 -2.078 25124 8261 1 12 . 1 1 106 106 PHE CB C 106 40.477 40.477 41.154 -0.677 25124 8262 1 12 . 1 1 106 106 PHE H H 106 7.399 7.399 7.559 -0.160 25124 8263 1 12 . 1 1 107 107 ASP N N 107 122.212 122.212 123.070 -0.858 25124 8264 1 12 . 1 1 107 107 ASP HA H 107 4.823 4.823 4.783 0.040 25124 8265 1 12 . 1 1 107 107 ASP C C 107 177.812 177.812 178.020 -0.208 25124 8266 1 12 . 1 1 107 107 ASP CA C 107 53.392 53.392 52.885 0.507 25124 8267 1 12 . 1 1 107 107 ASP CB C 107 42.455 42.455 41.120 1.335 25124 8268 1 12 . 1 1 107 107 ASP H H 107 9.047 9.047 8.704 0.343 25124 8269 1 12 . 1 1 108 108 ILE N N 108 127.963 127.963 122.962 5.001 25124 8270 1 12 . 1 1 108 108 ILE HA H 108 3.949 3.949 4.024 -0.075 25124 8271 1 12 . 1 1 108 108 ILE C C 108 176.226 176.226 177.139 -0.913 25124 8272 1 12 . 1 1 108 108 ILE CA C 108 63.105 63.105 63.989 -0.884 25124 8273 1 12 . 1 1 108 108 ILE CB C 108 37.665 37.665 37.367 0.298 25124 8274 1 12 . 1 1 108 108 ILE H H 108 8.898 8.898 8.426 0.472 25124 8275 1 12 . 1 1 109 109 ASP N N 109 119.804 119.804 121.002 -1.198 25124 8276 1 12 . 1 1 109 109 ASP HA H 109 4.393 4.393 4.300 0.093 25124 8277 1 12 . 1 1 109 109 ASP C C 109 179.848 179.848 178.716 1.132 25124 8278 1 12 . 1 1 109 109 ASP CA C 109 57.483 57.483 58.113 -0.630 25124 8279 1 12 . 1 1 109 109 ASP CB C 109 39.986 39.986 40.698 -0.712 25124 8280 1 12 . 1 1 109 109 ASP H H 109 8.098 8.098 8.161 -0.063 25124 8281 1 12 . 1 1 110 110 GLU N N 110 121.667 121.667 118.546 3.121 25124 8282 1 12 . 1 1 110 110 GLU HA H 110 4.085 4.085 4.313 -0.228 25124 8283 1 12 . 1 1 110 110 GLU C C 110 178.976 178.976 178.348 0.628 25124 8284 1 12 . 1 1 110 110 GLU CA C 110 58.790 58.790 57.962 0.828 25124 8285 1 12 . 1 1 110 110 GLU CB C 110 29.330 29.330 30.124 -0.794 25124 8286 1 12 . 1 1 110 110 GLU H H 110 8.059 8.059 8.105 -0.046 25124 8287 1 12 . 1 1 111 111 ALA N N 111 122.208 122.208 123.226 -1.018 25124 8288 1 12 . 1 1 111 111 ALA HA H 111 3.758 3.758 4.186 -0.428 25124 8289 1 12 . 1 1 111 111 ALA C C 111 178.605 178.605 179.444 -0.839 25124 8290 1 12 . 1 1 111 111 ALA CA C 111 55.320 55.320 55.032 0.288 25124 8291 1 12 . 1 1 111 111 ALA CB C 111 18.174 18.174 18.585 -0.411 25124 8292 1 12 . 1 1 111 111 ALA H H 111 7.903 7.903 7.507 0.396 25124 8293 1 12 . 1 1 112 112 VAL N N 112 116.429 116.429 118.732 -2.303 25124 8294 1 12 . 1 1 112 112 VAL HA H 112 3.194 3.194 3.577 -0.383 25124 8295 1 12 . 1 1 112 112 VAL C C 112 177.230 177.230 177.683 -0.453 25124 8296 1 12 . 1 1 112 112 VAL CA C 112 67.154 67.154 67.230 -0.076 25124 8297 1 12 . 1 1 112 112 VAL CB C 112 31.538 31.538 31.593 -0.055 25124 8298 1 12 . 1 1 112 112 VAL H H 112 8.032 8.032 8.669 -0.637 25124 8299 1 12 . 1 1 113 113 ALA N N 113 120.198 120.198 119.455 0.743 25124 8300 1 12 . 1 1 113 113 ALA HA H 113 4.159 4.159 4.217 -0.058 25124 8301 1 12 . 1 1 113 113 ALA C C 113 180.589 180.589 178.916 1.673 25124 8302 1 12 . 1 1 113 113 ALA CA C 113 54.902 54.902 53.981 0.921 25124 8303 1 12 . 1 1 113 113 ALA CB C 113 17.980 17.980 18.934 -0.954 25124 8304 1 12 . 1 1 113 113 ALA H H 113 7.723 7.723 7.968 -0.245 25124 8305 1 12 . 1 1 114 114 LEU N N 114 120.742 120.742 120.306 0.436 25124 8306 1 12 . 1 1 114 114 LEU HA H 114 4.102 4.102 4.221 -0.119 25124 8307 1 12 . 1 1 114 114 LEU C C 114 178.605 178.605 178.303 0.302 25124 8308 1 12 . 1 1 114 114 LEU CA C 114 58.181 58.181 57.387 0.794 25124 8309 1 12 . 1 1 114 114 LEU CB C 114 42.032 42.032 42.205 -0.173 25124 8310 1 12 . 1 1 114 114 LEU H H 114 7.928 7.928 7.329 0.599 25124 8311 1 12 . 1 1 115 115 VAL N N 115 119.478 119.478 118.392 1.086 25124 8312 1 12 . 1 1 115 115 VAL HA H 115 3.250 3.250 3.559 -0.309 25124 8313 1 12 . 1 1 115 115 VAL C C 115 177.548 177.548 177.963 -0.415 25124 8314 1 12 . 1 1 115 115 VAL CA C 115 67.168 67.168 66.250 0.918 25124 8315 1 12 . 1 1 115 115 VAL CB C 115 30.760 30.760 31.188 -0.428 25124 8316 1 12 . 1 1 115 115 VAL H H 115 7.846 7.846 8.493 -0.647 25124 8317 1 12 . 1 1 116 116 GLU N N 116 117.570 117.570 117.652 -0.082 25124 8318 1 12 . 1 1 116 116 GLU HA H 116 3.809 3.809 4.141 -0.332 25124 8319 1 12 . 1 1 116 116 GLU C C 116 179.557 179.557 178.731 0.826 25124 8320 1 12 . 1 1 116 116 GLU CA C 116 59.974 59.974 58.417 1.557 25124 8321 1 12 . 1 1 116 116 GLU CB C 116 29.084 29.084 28.885 0.199 25124 8322 1 12 . 1 1 116 116 GLU H H 116 8.462 8.462 7.835 0.627 25124 8323 1 12 . 1 1 117 117 ARG N N 117 120.263 120.263 120.485 -0.222 25124 8324 1 12 . 1 1 117 117 ARG HA H 117 4.109 4.109 4.056 0.053 25124 8325 1 12 . 1 1 117 117 ARG C C 117 178.500 178.500 178.529 -0.029 25124 8326 1 12 . 1 1 117 117 ARG CA C 117 59.411 59.411 59.589 -0.178 25124 8327 1 12 . 1 1 117 117 ARG CB C 117 30.414 30.414 30.218 0.196 25124 8328 1 12 . 1 1 117 117 ARG H H 117 8.090 8.090 7.718 0.372 25124 8329 1 12 . 1 1 118 118 ALA N N 118 122.157 122.157 119.985 2.172 25124 8330 1 12 . 1 1 118 118 ALA HA H 118 3.467 3.467 4.256 -0.789 25124 8331 1 12 . 1 1 118 118 ALA C C 118 178.632 178.632 179.194 -0.562 25124 8332 1 12 . 1 1 118 118 ALA CA C 118 54.739 54.739 54.211 0.528 25124 8333 1 12 . 1 1 118 118 ALA CB C 118 18.280 18.280 18.184 0.096 25124 8334 1 12 . 1 1 118 118 ALA H H 118 8.005 8.005 7.261 0.744 25124 8335 1 12 . 1 1 119 119 ILE N N 119 115.429 115.429 119.002 -3.573 25124 8336 1 12 . 1 1 119 119 ILE HA H 119 3.706 3.706 3.728 -0.022 25124 8337 1 12 . 1 1 119 119 ILE C C 119 177.442 177.442 178.367 -0.925 25124 8338 1 12 . 1 1 119 119 ILE CA C 119 63.910 63.910 64.902 -0.992 25124 8339 1 12 . 1 1 119 119 ILE CB C 119 37.939 37.939 37.520 0.419 25124 8340 1 12 . 1 1 119 119 ILE H H 119 7.788 7.788 7.450 0.338 25124 8341 1 12 . 1 1 120 120 SER N N 120 114.902 114.902 115.057 -0.155 25124 8342 1 12 . 1 1 120 120 SER HA H 120 4.285 4.285 4.266 0.019 25124 8343 1 12 . 1 1 120 120 SER C C 120 175.142 175.142 176.091 -0.949 25124 8344 1 12 . 1 1 120 120 SER CA C 120 59.871 59.871 61.641 -1.770 25124 8345 1 12 . 1 1 120 120 SER CB C 120 63.522 63.522 63.037 0.485 25124 8346 1 12 . 1 1 120 120 SER H H 120 7.881 7.881 8.519 -0.638 25124 8347 1 12 . 1 1 121 121 HIS N N 121 119.927 119.927 119.460 0.467 25124 8348 1 12 . 1 1 121 121 HIS HA H 121 4.439 4.439 4.261 0.178 25124 8349 1 12 . 1 1 121 121 HIS C C 121 174.957 174.957 175.559 -0.602 25124 8350 1 12 . 1 1 121 121 HIS CA C 121 57.362 57.362 58.359 -0.998 25124 8351 1 12 . 1 1 121 121 HIS CB C 121 29.496 29.496 29.860 -0.364 25124 8352 1 12 . 1 1 121 121 HIS H H 121 7.960 7.960 7.943 0.017 25124 8353 1 12 . 1 1 122 122 TYR N N 122 118.745 118.745 115.591 3.154 25124 8354 1 12 . 1 1 122 122 TYR HA H 122 4.455 4.455 4.531 -0.076 25124 8355 1 12 . 1 1 122 122 TYR C C 122 175.353 175.353 175.278 0.075 25124 8356 1 12 . 1 1 122 122 TYR CA C 122 58.528 58.528 58.469 0.058 25124 8357 1 12 . 1 1 122 122 TYR CB C 122 38.726 38.726 39.507 -0.781 25124 8358 1 12 . 1 1 122 122 TYR H H 122 7.776 7.776 7.410 0.366 25124 8359 1 12 . 1 1 123 123 GLN N N 123 121.424 121.424 117.966 3.458 25124 8360 1 12 . 1 1 123 123 GLN HA H 123 4.294 4.294 3.938 0.356 25124 8361 1 12 . 1 1 123 123 GLN C C 123 174.560 174.560 174.952 -0.392 25124 8362 1 12 . 1 1 123 123 GLN CA C 123 55.658 55.658 57.020 -1.362 25124 8363 1 12 . 1 1 123 123 GLN CB C 123 29.877 29.877 28.812 1.065 25124 8364 1 12 . 1 1 123 123 GLN H H 123 7.904 7.904 7.852 0.052 25124 8365 1 13 . 1 1 2 2 GLN HA H 2 4.453 4.453 3.950 0.503 25124 8366 1 13 . 1 1 2 2 GLN C C 2 174.930 174.930 175.858 -0.928 25124 8367 1 13 . 1 1 2 2 GLN CA C 2 55.627 55.627 57.574 -1.947 25124 8368 1 13 . 1 1 2 2 GLN CB C 2 29.312 29.312 28.584 0.728 25124 8369 1 13 . 1 1 3 3 ARG N N 3 121.349 121.349 116.067 5.282 25124 8370 1 13 . 1 1 3 3 ARG HA H 3 4.390 4.390 3.924 0.466 25124 8371 1 13 . 1 1 3 3 ARG C C 3 175.723 175.723 176.026 -0.303 25124 8372 1 13 . 1 1 3 3 ARG CA C 3 56.041 56.041 56.417 -0.376 25124 8373 1 13 . 1 1 3 3 ARG CB C 3 31.395 31.395 28.300 3.095 25124 8374 1 13 . 1 1 3 3 ARG H H 3 8.451 8.451 8.519 -0.068 25124 8375 1 13 . 1 1 4 4 GLY N N 4 107.889 107.889 106.274 1.615 25124 8376 1 13 . 1 1 4 4 GLY C C 4 171.122 171.122 174.300 -3.178 25124 8377 1 13 . 1 1 4 4 GLY CA C 4 45.333 45.333 44.304 1.029 25124 8378 1 13 . 1 1 4 4 GLY H H 4 8.037 8.037 8.085 -0.048 25124 8379 1 13 . 1 1 5 5 ILE N N 5 122.674 122.674 121.855 0.819 25124 8380 1 13 . 1 1 5 5 ILE HA H 5 4.731 4.731 3.829 0.902 25124 8381 1 13 . 1 1 5 5 ILE C C 5 175.459 175.459 175.607 -0.148 25124 8382 1 13 . 1 1 5 5 ILE CA C 5 60.614 60.614 62.198 -1.584 25124 8383 1 13 . 1 1 5 5 ILE CB C 5 39.535 39.535 37.757 1.778 25124 8384 1 13 . 1 1 5 5 ILE H H 5 9.605 9.605 8.256 1.349 25124 8385 1 13 . 1 1 6 6 VAL N N 6 127.532 127.532 126.738 0.794 25124 8386 1 13 . 1 1 6 6 VAL HA H 6 4.892 4.892 4.341 0.551 25124 8387 1 13 . 1 1 6 6 VAL C C 6 174.110 174.110 174.980 -0.870 25124 8388 1 13 . 1 1 6 6 VAL CA C 6 59.255 59.255 61.397 -2.142 25124 8389 1 13 . 1 1 6 6 VAL CB C 6 34.530 34.530 32.952 1.578 25124 8390 1 13 . 1 1 6 6 VAL H H 6 9.135 9.135 7.993 1.142 25124 8391 1 13 . 1 1 7 7 TRP N N 7 127.409 127.409 129.107 -1.698 25124 8392 1 13 . 1 1 7 7 TRP HA H 7 6.447 6.447 5.493 0.954 25124 8393 1 13 . 1 1 7 7 TRP C C 7 175.089 175.089 175.622 -0.533 25124 8394 1 13 . 1 1 7 7 TRP CA C 7 52.797 52.797 54.062 -1.265 25124 8395 1 13 . 1 1 7 7 TRP CB C 7 33.255 33.255 30.552 2.703 25124 8396 1 13 . 1 1 7 7 TRP H H 7 8.544 8.544 8.082 0.462 25124 8397 1 13 . 1 1 8 8 VAL N N 8 122.270 122.270 124.183 -1.913 25124 8398 1 13 . 1 1 8 8 VAL HA H 8 5.135 5.135 4.450 0.685 25124 8399 1 13 . 1 1 8 8 VAL C C 8 173.820 173.820 174.076 -0.256 25124 8400 1 13 . 1 1 8 8 VAL CA C 8 60.457 60.457 61.708 -1.251 25124 8401 1 13 . 1 1 8 8 VAL CB C 8 35.893 35.893 34.447 1.446 25124 8402 1 13 . 1 1 8 8 VAL H H 8 8.643 8.643 8.487 0.156 25124 8403 1 13 . 1 1 9 9 VAL N N 9 126.806 126.806 128.351 -1.545 25124 8404 1 13 . 1 1 9 9 VAL HA H 9 5.192 5.192 4.301 0.891 25124 8405 1 13 . 1 1 9 9 VAL C C 9 172.550 172.550 174.055 -1.505 25124 8406 1 13 . 1 1 9 9 VAL CA C 9 58.384 58.384 61.980 -3.596 25124 8407 1 13 . 1 1 9 9 VAL CB C 9 34.135 34.135 31.470 2.665 25124 8408 1 13 . 1 1 9 9 VAL H H 9 9.113 9.113 8.602 0.511 25124 8409 1 13 . 1 1 10 10 ASP N N 10 125.011 125.011 125.175 -0.164 25124 8410 1 13 . 1 1 10 10 ASP HA H 10 4.554 4.554 4.828 -0.274 25124 8411 1 13 . 1 1 10 10 ASP C C 10 174.877 174.877 174.596 0.281 25124 8412 1 13 . 1 1 10 10 ASP CA C 10 55.066 55.066 52.920 2.146 25124 8413 1 13 . 1 1 10 10 ASP CB C 10 44.131 44.131 43.697 0.434 25124 8414 1 13 . 1 1 10 10 ASP H H 10 7.881 7.881 7.937 -0.056 25124 8415 1 13 . 1 1 11 11 ASP N N 11 124.048 124.048 119.532 4.516 25124 8416 1 13 . 1 1 11 11 ASP HA H 11 4.613 4.613 4.722 -0.109 25124 8417 1 13 . 1 1 11 11 ASP C C 11 175.089 175.089 174.368 0.721 25124 8418 1 13 . 1 1 11 11 ASP CA C 11 55.346 55.346 53.309 2.037 25124 8419 1 13 . 1 1 11 11 ASP CB C 11 39.583 39.583 39.160 0.423 25124 8420 1 13 . 1 1 11 11 ASP H H 11 9.166 9.166 8.526 0.640 25124 8421 1 13 . 1 1 12 12 ASP N N 12 125.165 125.165 121.210 3.955 25124 8422 1 13 . 1 1 12 12 ASP HA H 12 4.757 4.757 4.678 0.079 25124 8423 1 13 . 1 1 12 12 ASP C C 12 176.993 176.993 176.045 0.948 25124 8424 1 13 . 1 1 12 12 ASP CA C 12 53.112 53.112 54.539 -1.427 25124 8425 1 13 . 1 1 12 12 ASP CB C 12 41.072 41.072 43.474 -2.402 25124 8426 1 13 . 1 1 12 12 ASP H H 12 10.290 10.290 7.642 2.648 25124 8427 1 13 . 1 1 13 13 SER N N 13 123.818 123.818 120.008 3.810 25124 8428 1 13 . 1 1 13 13 SER HA H 13 3.719 3.719 4.161 -0.442 25124 8429 1 13 . 1 1 13 13 SER C C 13 176.146 176.146 175.940 0.206 25124 8430 1 13 . 1 1 13 13 SER CA C 13 61.341 61.341 61.573 -0.232 25124 8431 1 13 . 1 1 13 13 SER CB C 13 62.638 62.638 63.412 -0.774 25124 8432 1 13 . 1 1 13 13 SER H H 13 8.993 8.993 8.794 0.199 25124 8433 1 13 . 1 1 14 14 SER N N 14 118.714 118.714 117.798 0.916 25124 8434 1 13 . 1 1 14 14 SER HA H 14 4.322 4.322 4.350 -0.028 25124 8435 1 13 . 1 1 14 14 SER C C 14 176.411 176.411 176.144 0.267 25124 8436 1 13 . 1 1 14 14 SER CA C 14 61.717 61.717 61.218 0.499 25124 8437 1 13 . 1 1 14 14 SER CB C 14 62.554 62.554 63.125 -0.571 25124 8438 1 13 . 1 1 14 14 SER H H 14 8.499 8.499 8.320 0.179 25124 8439 1 13 . 1 1 15 15 ILE N N 15 122.822 122.822 121.948 0.874 25124 8440 1 13 . 1 1 15 15 ILE HA H 15 3.972 3.972 3.977 -0.005 25124 8441 1 13 . 1 1 15 15 ILE C C 15 177.786 177.786 177.778 0.008 25124 8442 1 13 . 1 1 15 15 ILE CA C 15 60.784 60.784 61.556 -0.772 25124 8443 1 13 . 1 1 15 15 ILE CB C 15 36.016 36.016 37.119 -1.103 25124 8444 1 13 . 1 1 15 15 ILE H H 15 7.011 7.011 7.572 -0.561 25124 8445 1 13 . 1 1 16 16 ARG N N 16 116.580 116.580 120.340 -3.760 25124 8446 1 13 . 1 1 16 16 ARG HA H 16 3.711 3.711 4.145 -0.434 25124 8447 1 13 . 1 1 16 16 ARG C C 16 177.336 177.336 178.455 -1.119 25124 8448 1 13 . 1 1 16 16 ARG CA C 16 61.632 61.632 59.811 1.821 25124 8449 1 13 . 1 1 16 16 ARG CB C 16 30.520 30.520 30.209 0.311 25124 8450 1 13 . 1 1 16 16 ARG H H 16 7.370 7.370 8.295 -0.925 25124 8451 1 13 . 1 1 17 17 TRP N N 17 116.893 116.893 122.007 -5.114 25124 8452 1 13 . 1 1 17 17 TRP HA H 17 4.481 4.481 4.357 0.124 25124 8453 1 13 . 1 1 17 17 TRP C C 17 178.394 178.394 178.246 0.148 25124 8454 1 13 . 1 1 17 17 TRP CA C 17 60.482 60.482 61.113 -0.631 25124 8455 1 13 . 1 1 17 17 TRP CB C 17 29.372 29.372 29.280 0.092 25124 8456 1 13 . 1 1 17 17 TRP H H 17 8.020 8.020 8.648 -0.628 25124 8457 1 13 . 1 1 18 18 VAL N N 18 116.799 116.799 116.515 0.284 25124 8458 1 13 . 1 1 18 18 VAL HA H 18 3.662 3.662 2.668 0.994 25124 8459 1 13 . 1 1 18 18 VAL C C 18 179.161 179.161 177.660 1.501 25124 8460 1 13 . 1 1 18 18 VAL CA C 18 65.858 65.858 65.043 0.815 25124 8461 1 13 . 1 1 18 18 VAL CB C 18 31.792 31.792 30.368 1.424 25124 8462 1 13 . 1 1 18 18 VAL H H 18 8.085 8.085 7.486 0.599 25124 8463 1 13 . 1 1 19 19 LEU N N 19 119.595 119.595 121.011 -1.416 25124 8464 1 13 . 1 1 19 19 LEU HA H 19 4.083 4.083 3.767 0.316 25124 8465 1 13 . 1 1 19 19 LEU C C 19 177.759 177.759 178.832 -1.073 25124 8466 1 13 . 1 1 19 19 LEU CA C 19 57.971 57.971 58.048 -0.077 25124 8467 1 13 . 1 1 19 19 LEU CB C 19 41.863 41.863 41.415 0.448 25124 8468 1 13 . 1 1 19 19 LEU H H 19 8.035 8.035 7.388 0.647 25124 8469 1 13 . 1 1 20 20 GLU N N 20 120.318 120.318 118.945 1.373 25124 8470 1 13 . 1 1 20 20 GLU HA H 20 4.007 4.007 3.839 0.168 25124 8471 1 13 . 1 1 20 20 GLU C C 20 178.500 178.500 179.177 -0.677 25124 8472 1 13 . 1 1 20 20 GLU CA C 20 60.567 60.567 59.699 0.868 25124 8473 1 13 . 1 1 20 20 GLU CB C 20 29.073 29.073 29.319 -0.246 25124 8474 1 13 . 1 1 20 20 GLU H H 20 8.417 8.417 7.857 0.560 25124 8475 1 13 . 1 1 21 21 ARG N N 21 115.981 115.981 117.358 -1.377 25124 8476 1 13 . 1 1 21 21 ARG HA H 21 3.898 3.898 3.947 -0.049 25124 8477 1 13 . 1 1 21 21 ARG C C 21 179.769 179.769 178.006 1.763 25124 8478 1 13 . 1 1 21 21 ARG CA C 21 58.491 58.491 58.617 -0.126 25124 8479 1 13 . 1 1 21 21 ARG CB C 21 29.966 29.966 29.809 0.157 25124 8480 1 13 . 1 1 21 21 ARG H H 21 7.579 7.579 7.754 -0.175 25124 8481 1 13 . 1 1 22 22 ALA N N 22 122.267 122.267 121.906 0.361 25124 8482 1 13 . 1 1 22 22 ALA HA H 22 4.110 4.110 4.142 -0.032 25124 8483 1 13 . 1 1 22 22 ALA C C 22 180.456 180.456 179.356 1.100 25124 8484 1 13 . 1 1 22 22 ALA CA C 22 54.643 54.643 54.495 0.148 25124 8485 1 13 . 1 1 22 22 ALA CB C 22 19.225 19.225 19.055 0.170 25124 8486 1 13 . 1 1 22 22 ALA H H 22 7.933 7.933 7.605 0.328 25124 8487 1 13 . 1 1 23 23 LEU N N 23 118.139 118.139 119.649 -1.510 25124 8488 1 13 . 1 1 23 23 LEU HA H 23 4.005 4.005 3.890 0.115 25124 8489 1 13 . 1 1 23 23 LEU C C 23 178.843 178.843 179.160 -0.317 25124 8490 1 13 . 1 1 23 23 LEU CA C 23 57.765 57.765 57.931 -0.166 25124 8491 1 13 . 1 1 23 23 LEU CB C 23 39.919 39.919 41.366 -1.447 25124 8492 1 13 . 1 1 23 23 LEU H H 23 8.855 8.855 8.616 0.239 25124 8493 1 13 . 1 1 24 24 ALA N N 24 122.164 122.164 120.184 1.980 25124 8494 1 13 . 1 1 24 24 ALA HA H 24 4.665 4.665 4.056 0.609 25124 8495 1 13 . 1 1 24 24 ALA C C 24 183.206 183.206 179.658 3.548 25124 8496 1 13 . 1 1 24 24 ALA CA C 24 54.812 54.812 54.555 0.257 25124 8497 1 13 . 1 1 24 24 ALA CB C 24 17.820 17.820 18.322 -0.502 25124 8498 1 13 . 1 1 24 24 ALA H H 24 8.238 8.238 8.100 0.138 25124 8499 1 13 . 1 1 25 25 GLY N N 25 106.903 106.903 105.026 1.877 25124 8500 1 13 . 1 1 25 25 GLY C C 25 174.375 174.375 175.185 -0.810 25124 8501 1 13 . 1 1 25 25 GLY CA C 25 46.550 46.550 45.612 0.938 25124 8502 1 13 . 1 1 25 25 GLY H H 25 7.907 7.907 7.779 0.128 25124 8503 1 13 . 1 1 26 26 ALA N N 26 121.832 121.832 122.080 -0.248 25124 8504 1 13 . 1 1 26 26 ALA HA H 26 4.505 4.505 4.518 -0.013 25124 8505 1 13 . 1 1 26 26 ALA CA C 26 51.585 51.585 52.048 -0.463 25124 8506 1 13 . 1 1 26 26 ALA CB C 26 18.799 18.799 19.673 -0.874 25124 8507 1 13 . 1 1 26 26 ALA H H 26 7.316 7.316 7.772 -0.456 25124 8508 1 13 . 1 1 27 27 GLY N N 27 106.146 106.146 106.474 -0.328 25124 8509 1 13 . 1 1 27 27 GLY C C 27 174.057 174.057 174.691 -0.634 25124 8510 1 13 . 1 1 27 27 GLY CA C 27 45.333 45.333 44.985 0.348 25124 8511 1 13 . 1 1 27 27 GLY H H 27 7.868 7.868 8.209 -0.341 25124 8512 1 13 . 1 1 28 28 LEU N N 28 120.273 120.273 121.504 -1.231 25124 8513 1 13 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.251 0.324 25124 8514 1 13 . 1 1 28 28 LEU C C 28 175.988 175.988 176.499 -0.511 25124 8515 1 13 . 1 1 28 28 LEU CA C 28 53.881 53.881 55.104 -1.223 25124 8516 1 13 . 1 1 28 28 LEU CB C 28 42.540 42.540 42.287 0.253 25124 8517 1 13 . 1 1 28 28 LEU H H 28 7.659 7.659 7.485 0.174 25124 8518 1 13 . 1 1 29 29 THR N N 29 118.173 118.173 115.690 2.483 25124 8519 1 13 . 1 1 29 29 THR HA H 29 4.346 4.346 4.493 -0.147 25124 8520 1 13 . 1 1 29 29 THR C C 29 173.344 173.344 173.095 0.249 25124 8521 1 13 . 1 1 29 29 THR CA C 29 62.598 62.598 62.416 0.182 25124 8522 1 13 . 1 1 29 29 THR CB C 29 69.423 69.423 70.029 -0.607 25124 8523 1 13 . 1 1 29 29 THR H H 29 8.562 8.562 8.272 0.290 25124 8524 1 13 . 1 1 30 30 CYS N N 30 128.450 128.450 127.554 0.896 25124 8525 1 13 . 1 1 30 30 CYS HA H 30 6.012 6.012 4.905 1.107 25124 8526 1 13 . 1 1 30 30 CYS C C 30 173.978 173.978 173.757 0.221 25124 8527 1 13 . 1 1 30 30 CYS CA C 30 56.424 56.424 57.139 -0.715 25124 8528 1 13 . 1 1 30 30 CYS CB C 30 29.615 29.615 28.392 1.223 25124 8529 1 13 . 1 1 30 30 CYS H H 30 9.035 9.035 8.923 0.112 25124 8530 1 13 . 1 1 31 31 THR N N 31 126.377 126.377 125.682 0.695 25124 8531 1 13 . 1 1 31 31 THR HA H 31 4.442 4.442 4.565 -0.123 25124 8532 1 13 . 1 1 31 31 THR C C 31 172.683 172.683 172.807 -0.124 25124 8533 1 13 . 1 1 31 31 THR CA C 31 61.956 61.956 61.792 0.164 25124 8534 1 13 . 1 1 31 31 THR CB C 31 70.624 70.624 71.076 -0.452 25124 8535 1 13 . 1 1 31 31 THR H H 31 8.510 8.510 8.587 -0.077 25124 8536 1 13 . 1 1 32 32 THR N N 32 115.988 115.988 114.579 1.409 25124 8537 1 13 . 1 1 32 32 THR HA H 32 5.454 5.454 4.849 0.605 25124 8538 1 13 . 1 1 32 32 THR C C 32 172.259 172.259 172.138 0.121 25124 8539 1 13 . 1 1 32 32 THR CA C 32 59.101 59.101 59.292 -0.191 25124 8540 1 13 . 1 1 32 32 THR CB C 32 71.173 71.173 71.421 -0.248 25124 8541 1 13 . 1 1 32 32 THR H H 32 8.301 8.301 7.873 0.428 25124 8542 1 13 . 1 1 33 33 PHE N N 33 117.690 117.690 118.203 -0.513 25124 8543 1 13 . 1 1 33 33 PHE HA H 33 4.723 4.723 4.704 0.019 25124 8544 1 13 . 1 1 33 33 PHE C C 33 174.507 174.507 175.313 -0.806 25124 8545 1 13 . 1 1 33 33 PHE CA C 33 56.504 56.504 59.049 -2.545 25124 8546 1 13 . 1 1 33 33 PHE CB C 33 43.589 43.589 40.419 3.170 25124 8547 1 13 . 1 1 33 33 PHE H H 33 8.834 8.834 8.585 0.249 25124 8548 1 13 . 1 1 34 34 GLU N N 34 118.296 118.296 114.743 3.553 25124 8549 1 13 . 1 1 34 34 GLU HA H 34 4.451 4.451 4.527 -0.076 25124 8550 1 13 . 1 1 34 34 GLU C C 34 174.957 174.957 174.302 0.655 25124 8551 1 13 . 1 1 34 34 GLU CA C 34 56.661 56.661 57.098 -0.437 25124 8552 1 13 . 1 1 34 34 GLU CB C 34 31.792 31.792 31.002 0.790 25124 8553 1 13 . 1 1 34 34 GLU H H 34 9.096 9.096 8.439 0.657 25124 8554 1 13 . 1 1 35 35 ASN N N 35 108.486 108.486 115.941 -7.455 25124 8555 1 13 . 1 1 35 35 ASN HA H 35 4.960 4.960 5.095 -0.135 25124 8556 1 13 . 1 1 35 35 ASN C C 35 175.353 175.353 176.755 -1.402 25124 8557 1 13 . 1 1 35 35 ASN CA C 35 52.364 52.364 51.945 0.419 25124 8558 1 13 . 1 1 35 35 ASN CB C 35 40.932 40.932 41.733 -0.801 25124 8559 1 13 . 1 1 35 35 ASN H H 35 7.286 7.286 7.508 -0.222 25124 8560 1 13 . 1 1 36 36 GLY N N 36 105.329 105.329 109.117 -3.788 25124 8561 1 13 . 1 1 36 36 GLY C C 36 174.586 174.586 175.355 -0.769 25124 8562 1 13 . 1 1 36 36 GLY CA C 36 47.533 47.533 47.083 0.451 25124 8563 1 13 . 1 1 36 36 GLY H H 36 9.369 9.369 8.978 0.391 25124 8564 1 13 . 1 1 37 37 ASN N N 37 120.396 120.396 118.875 1.521 25124 8565 1 13 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.231 0.131 25124 8566 1 13 . 1 1 37 37 ASN C C 37 178.791 178.791 176.782 2.009 25124 8567 1 13 . 1 1 37 37 ASN CA C 37 56.843 56.843 56.483 0.360 25124 8568 1 13 . 1 1 37 37 ASN CB C 37 37.716 37.716 38.064 -0.348 25124 8569 1 13 . 1 1 37 37 ASN H H 37 8.440 8.440 8.307 0.133 25124 8570 1 13 . 1 1 38 38 GLU N N 38 119.334 119.334 120.036 -0.702 25124 8571 1 13 . 1 1 38 38 GLU HA H 38 4.058 4.058 3.836 0.222 25124 8572 1 13 . 1 1 38 38 GLU C C 38 179.372 179.372 178.781 0.591 25124 8573 1 13 . 1 1 38 38 GLU CA C 38 58.790 58.790 59.033 -0.243 25124 8574 1 13 . 1 1 38 38 GLU CB C 38 30.692 30.692 29.340 1.352 25124 8575 1 13 . 1 1 38 38 GLU H H 38 8.063 8.063 7.633 0.430 25124 8576 1 13 . 1 1 39 39 VAL N N 39 119.047 119.047 119.699 -0.652 25124 8577 1 13 . 1 1 39 39 VAL HA H 39 2.599 2.599 2.808 -0.209 25124 8578 1 13 . 1 1 39 39 VAL C C 39 176.807 176.807 178.024 -1.217 25124 8579 1 13 . 1 1 39 39 VAL CA C 39 65.222 65.222 65.169 0.053 25124 8580 1 13 . 1 1 39 39 VAL CB C 39 31.078 31.078 30.901 0.176 25124 8581 1 13 . 1 1 39 39 VAL H H 39 6.844 6.844 7.174 -0.330 25124 8582 1 13 . 1 1 40 40 LEU N N 40 118.385 118.385 121.664 -3.279 25124 8583 1 13 . 1 1 40 40 LEU HA H 40 3.929 3.929 3.979 -0.050 25124 8584 1 13 . 1 1 40 40 LEU C C 40 179.584 179.584 178.632 0.952 25124 8585 1 13 . 1 1 40 40 LEU CA C 40 57.943 57.943 58.024 -0.081 25124 8586 1 13 . 1 1 40 40 LEU CB C 40 40.932 40.932 40.232 0.700 25124 8587 1 13 . 1 1 40 40 LEU H H 40 7.715 7.715 8.116 -0.401 25124 8588 1 13 . 1 1 41 41 ALA N N 41 120.091 120.091 120.468 -0.377 25124 8589 1 13 . 1 1 41 41 ALA HA H 41 4.158 4.158 3.931 0.227 25124 8590 1 13 . 1 1 41 41 ALA C C 41 180.562 180.562 178.758 1.804 25124 8591 1 13 . 1 1 41 41 ALA CA C 41 54.717 54.717 54.939 -0.222 25124 8592 1 13 . 1 1 41 41 ALA CB C 41 17.853 17.853 17.869 -0.015 25124 8593 1 13 . 1 1 41 41 ALA H H 41 7.671 7.671 7.657 0.014 25124 8594 1 13 . 1 1 42 42 ALA N N 42 122.650 122.650 119.857 2.793 25124 8595 1 13 . 1 1 42 42 ALA HA H 42 4.221 4.221 4.279 -0.058 25124 8596 1 13 . 1 1 42 42 ALA C C 42 180.166 180.166 179.610 0.556 25124 8597 1 13 . 1 1 42 42 ALA CA C 42 54.974 54.974 53.977 0.997 25124 8598 1 13 . 1 1 42 42 ALA CB C 42 19.488 19.488 18.404 1.084 25124 8599 1 13 . 1 1 42 42 ALA H H 42 7.573 7.573 6.988 0.585 25124 8600 1 13 . 1 1 43 43 LEU N N 43 119.321 119.321 121.647 -2.326 25124 8601 1 13 . 1 1 43 43 LEU HA H 43 5.260 5.260 4.657 0.603 25124 8602 1 13 . 1 1 43 43 LEU C C 43 177.389 177.389 179.863 -2.474 25124 8603 1 13 . 1 1 43 43 LEU CA C 43 55.446 55.446 57.959 -2.513 25124 8604 1 13 . 1 1 43 43 LEU CB C 43 42.879 42.879 42.006 0.873 25124 8605 1 13 . 1 1 43 43 LEU H H 43 8.289 8.289 8.419 -0.130 25124 8606 1 13 . 1 1 44 44 ALA N N 44 118.995 118.995 120.498 -1.503 25124 8607 1 13 . 1 1 44 44 ALA HA H 44 4.232 4.232 4.156 0.076 25124 8608 1 13 . 1 1 44 44 ALA C C 44 178.738 178.738 178.886 -0.148 25124 8609 1 13 . 1 1 44 44 ALA CA C 44 54.353 54.353 54.660 -0.307 25124 8610 1 13 . 1 1 44 44 ALA CB C 44 18.674 18.674 18.733 -0.059 25124 8611 1 13 . 1 1 44 44 ALA H H 44 7.307 7.307 8.066 -0.759 25124 8612 1 13 . 1 1 45 45 SER N N 45 108.530 108.530 112.612 -4.082 25124 8613 1 13 . 1 1 45 45 SER HA H 45 4.761 4.761 4.518 0.243 25124 8614 1 13 . 1 1 45 45 SER C C 45 173.344 173.344 174.726 -1.382 25124 8615 1 13 . 1 1 45 45 SER CA C 45 58.682 58.682 60.121 -1.439 25124 8616 1 13 . 1 1 45 45 SER CB C 45 65.446 65.446 64.120 1.326 25124 8617 1 13 . 1 1 45 45 SER H H 45 7.772 7.772 7.957 -0.185 25124 8618 1 13 . 1 1 46 46 LYS N N 46 122.965 122.965 118.643 4.322 25124 8619 1 13 . 1 1 46 46 LYS HA H 46 4.608 4.608 4.625 -0.017 25124 8620 1 13 . 1 1 46 46 LYS C C 46 172.815 172.815 173.989 -1.174 25124 8621 1 13 . 1 1 46 46 LYS CA C 46 55.601 55.601 55.485 0.116 25124 8622 1 13 . 1 1 46 46 LYS CB C 46 36.399 36.399 36.558 -0.159 25124 8623 1 13 . 1 1 46 46 LYS H H 46 8.096 8.096 8.435 -0.339 25124 8624 1 13 . 1 1 47 47 THR N N 47 111.524 111.524 112.574 -1.050 25124 8625 1 13 . 1 1 47 47 THR HA H 47 4.307 4.307 4.410 -0.103 25124 8626 1 13 . 1 1 47 47 THR CA C 47 57.896 57.896 58.315 -0.419 25124 8627 1 13 . 1 1 47 47 THR CB C 47 70.570 70.570 69.556 1.014 25124 8628 1 13 . 1 1 47 47 THR H H 47 7.708 7.708 8.114 -0.406 25124 8629 1 13 . 1 1 48 48 PRO HA H 48 3.944 3.944 3.974 -0.030 25124 8630 1 13 . 1 1 48 48 PRO C C 48 173.079 173.079 175.959 -2.880 25124 8631 1 13 . 1 1 48 48 PRO CA C 48 60.922 60.922 61.889 -0.967 25124 8632 1 13 . 1 1 48 48 PRO CB C 48 30.353 30.353 32.172 -1.819 25124 8633 1 13 . 1 1 49 49 ASP N N 49 115.001 115.001 118.727 -3.726 25124 8634 1 13 . 1 1 49 49 ASP HA H 49 4.460 4.460 4.369 0.091 25124 8635 1 13 . 1 1 49 49 ASP C C 49 175.591 175.591 175.732 -0.141 25124 8636 1 13 . 1 1 49 49 ASP CA C 49 56.504 56.504 55.884 0.620 25124 8637 1 13 . 1 1 49 49 ASP CB C 49 42.625 42.625 41.965 0.660 25124 8638 1 13 . 1 1 49 49 ASP H H 49 8.535 8.535 8.099 0.436 25124 8639 1 13 . 1 1 50 50 VAL N N 50 111.832 111.832 113.610 -1.778 25124 8640 1 13 . 1 1 50 50 VAL HA H 50 4.316 4.316 4.309 0.007 25124 8641 1 13 . 1 1 50 50 VAL C C 50 171.572 171.572 172.929 -1.357 25124 8642 1 13 . 1 1 50 50 VAL CA C 50 60.398 60.398 61.043 -0.645 25124 8643 1 13 . 1 1 50 50 VAL CB C 50 34.650 34.650 33.794 0.856 25124 8644 1 13 . 1 1 50 50 VAL H H 50 7.194 7.194 7.053 0.141 25124 8645 1 13 . 1 1 51 51 LEU N N 51 127.785 127.785 127.450 0.335 25124 8646 1 13 . 1 1 51 51 LEU HA H 51 5.376 5.376 5.418 -0.042 25124 8647 1 13 . 1 1 51 51 LEU C C 51 173.264 173.264 175.582 -2.318 25124 8648 1 13 . 1 1 51 51 LEU CA C 51 53.137 53.137 53.235 -0.098 25124 8649 1 13 . 1 1 51 51 LEU CB C 51 46.680 46.680 45.736 0.944 25124 8650 1 13 . 1 1 51 51 LEU H H 51 8.049 8.049 8.435 -0.386 25124 8651 1 13 . 1 1 52 52 LEU N N 52 128.943 128.943 127.594 1.349 25124 8652 1 13 . 1 1 52 52 LEU HA H 52 5.312 5.312 4.902 0.410 25124 8653 1 13 . 1 1 52 52 LEU C C 52 174.692 174.692 176.861 -2.169 25124 8654 1 13 . 1 1 52 52 LEU CA C 52 54.313 54.313 53.779 0.534 25124 8655 1 13 . 1 1 52 52 LEU CB C 52 43.961 43.961 40.112 3.849 25124 8656 1 13 . 1 1 52 52 LEU H H 52 9.278 9.278 8.090 1.188 25124 8657 1 13 . 1 1 53 53 SER N N 53 116.717 116.717 117.086 -0.369 25124 8658 1 13 . 1 1 53 53 SER HA H 53 5.395 5.395 4.282 1.113 25124 8659 1 13 . 1 1 53 53 SER C C 53 173.608 173.608 173.302 0.306 25124 8660 1 13 . 1 1 53 53 SER CA C 53 56.226 56.226 59.306 -3.080 25124 8661 1 13 . 1 1 53 53 SER CB C 53 65.753 65.753 64.298 1.455 25124 8662 1 13 . 1 1 53 53 SER H H 53 9.256 9.256 7.728 1.528 25124 8663 1 13 . 1 1 54 54 ASP N N 54 127.909 127.909 122.821 5.088 25124 8664 1 13 . 1 1 54 54 ASP HA H 54 5.622 5.622 5.393 0.229 25124 8665 1 13 . 1 1 54 54 ASP C C 54 175.723 175.723 175.281 0.442 25124 8666 1 13 . 1 1 54 54 ASP CA C 54 53.268 53.268 52.609 0.659 25124 8667 1 13 . 1 1 54 54 ASP CB C 54 44.386 44.386 43.746 0.640 25124 8668 1 13 . 1 1 54 54 ASP H H 54 8.219 8.219 8.580 -0.361 25124 8669 1 13 . 1 1 55 55 ILE N N 55 117.015 117.015 118.013 -0.998 25124 8670 1 13 . 1 1 55 55 ILE HA H 55 4.116 4.116 4.562 -0.446 25124 8671 1 13 . 1 1 55 55 ILE C C 55 176.913 176.913 174.939 1.974 25124 8672 1 13 . 1 1 55 55 ILE CA C 55 65.290 65.290 59.685 5.605 25124 8673 1 13 . 1 1 55 55 ILE CB C 55 38.487 38.487 36.695 1.792 25124 8674 1 13 . 1 1 55 55 ILE H H 55 7.812 7.812 8.234 -0.422 25124 8675 1 13 . 1 1 56 56 ARG N N 56 117.365 117.365 122.939 -5.574 25124 8676 1 13 . 1 1 56 56 ARG HA H 56 4.379 4.379 4.500 -0.121 25124 8677 1 13 . 1 1 56 56 ARG C C 56 172.788 172.788 174.016 -1.228 25124 8678 1 13 . 1 1 56 56 ARG CA C 56 57.034 57.034 56.311 0.723 25124 8679 1 13 . 1 1 56 56 ARG CB C 56 27.600 27.600 31.257 -3.657 25124 8680 1 13 . 1 1 56 56 ARG H H 56 8.991 8.991 7.729 1.262 25124 8681 1 13 . 1 1 57 57 MET N N 57 129.539 129.539 117.778 11.761 25124 8682 1 13 . 1 1 57 57 MET HA H 57 4.767 4.767 5.104 -0.337 25124 8683 1 13 . 1 1 57 57 MET CA C 57 53.641 53.641 53.243 0.398 25124 8684 1 13 . 1 1 57 57 MET CB C 57 36.484 36.484 33.592 2.892 25124 8685 1 13 . 1 1 57 57 MET H H 57 7.501 7.501 7.875 -0.374 25124 8686 1 13 . 1 1 58 58 PRO HA H 58 4.379 4.379 4.426 -0.047 25124 8687 1 13 . 1 1 58 58 PRO C C 58 177.495 177.495 177.537 -0.042 25124 8688 1 13 . 1 1 58 58 PRO CA C 58 63.104 63.104 63.956 -0.852 25124 8689 1 13 . 1 1 58 58 PRO CB C 58 31.922 31.922 32.218 -0.296 25124 8690 1 13 . 1 1 59 59 GLY N N 59 112.312 112.312 107.702 4.610 25124 8691 1 13 . 1 1 59 59 GLY C C 59 173.793 173.793 174.552 -0.759 25124 8692 1 13 . 1 1 59 59 GLY CA C 59 46.430 46.430 46.252 0.179 25124 8693 1 13 . 1 1 59 59 GLY H H 59 8.656 8.656 8.525 0.131 25124 8694 1 13 . 1 1 60 60 MET N N 60 124.343 124.343 118.662 5.681 25124 8695 1 13 . 1 1 60 60 MET HA H 60 4.344 4.344 4.610 -0.266 25124 8696 1 13 . 1 1 60 60 MET C C 60 174.190 174.190 174.981 -0.791 25124 8697 1 13 . 1 1 60 60 MET CA C 60 55.871 55.871 55.632 0.239 25124 8698 1 13 . 1 1 60 60 MET CB C 60 34.955 34.955 34.416 0.539 25124 8699 1 13 . 1 1 60 60 MET H H 60 7.778 7.778 8.012 -0.234 25124 8700 1 13 . 1 1 61 61 ASP N N 61 124.993 124.993 115.226 9.767 25124 8701 1 13 . 1 1 61 61 ASP HA H 61 4.870 4.870 4.712 0.158 25124 8702 1 13 . 1 1 61 61 ASP C C 61 176.966 176.966 174.891 2.075 25124 8703 1 13 . 1 1 61 61 ASP CA C 61 53.490 53.490 53.769 -0.279 25124 8704 1 13 . 1 1 61 61 ASP CB C 61 42.347 42.347 41.486 0.861 25124 8705 1 13 . 1 1 61 61 ASP H H 61 8.378 8.378 7.861 0.517 25124 8706 1 13 . 1 1 62 62 GLY N N 62 105.163 105.163 105.087 0.076 25124 8707 1 13 . 1 1 62 62 GLY C C 62 175.935 175.935 175.867 0.068 25124 8708 1 13 . 1 1 62 62 GLY CA C 62 46.755 46.755 45.185 1.570 25124 8709 1 13 . 1 1 62 62 GLY H H 62 10.153 10.153 8.615 1.538 25124 8710 1 13 . 1 1 63 63 LEU N N 63 120.509 120.509 122.123 -1.614 25124 8711 1 13 . 1 1 63 63 LEU HA H 63 4.293 4.293 4.346 -0.053 25124 8712 1 13 . 1 1 63 63 LEU C C 63 179.293 179.293 178.001 1.292 25124 8713 1 13 . 1 1 63 63 LEU CA C 63 57.148 57.148 56.609 0.539 25124 8714 1 13 . 1 1 63 63 LEU CB C 63 40.053 40.053 41.935 -1.882 25124 8715 1 13 . 1 1 63 63 LEU H H 63 8.119 8.119 7.841 0.278 25124 8716 1 13 . 1 1 64 64 ALA N N 64 126.234 126.234 122.354 3.880 25124 8717 1 13 . 1 1 64 64 ALA HA H 64 4.112 4.112 4.060 0.052 25124 8718 1 13 . 1 1 64 64 ALA C C 64 181.223 181.223 178.820 2.403 25124 8719 1 13 . 1 1 64 64 ALA CA C 64 54.802 54.802 54.846 -0.044 25124 8720 1 13 . 1 1 64 64 ALA CB C 64 18.133 18.133 18.152 -0.019 25124 8721 1 13 . 1 1 64 64 ALA H H 64 8.303 8.303 7.676 0.627 25124 8722 1 13 . 1 1 65 65 LEU N N 65 120.067 120.067 117.900 2.167 25124 8723 1 13 . 1 1 65 65 LEU HA H 65 4.044 4.044 4.277 -0.233 25124 8724 1 13 . 1 1 65 65 LEU C C 65 177.548 177.548 178.143 -0.595 25124 8725 1 13 . 1 1 65 65 LEU CA C 65 58.197 58.197 57.280 0.917 25124 8726 1 13 . 1 1 65 65 LEU CB C 65 41.727 41.727 42.544 -0.817 25124 8727 1 13 . 1 1 65 65 LEU H H 65 8.398 8.398 7.911 0.487 25124 8728 1 13 . 1 1 66 66 LEU N N 66 120.890 120.890 119.739 1.151 25124 8729 1 13 . 1 1 66 66 LEU HA H 66 3.848 3.848 4.091 -0.243 25124 8730 1 13 . 1 1 66 66 LEU C C 66 177.230 177.230 178.462 -1.232 25124 8731 1 13 . 1 1 66 66 LEU CA C 66 58.736 58.736 57.371 1.365 25124 8732 1 13 . 1 1 66 66 LEU CB C 66 41.803 41.803 41.805 -0.002 25124 8733 1 13 . 1 1 66 66 LEU H H 66 8.203 8.203 7.563 0.640 25124 8734 1 13 . 1 1 67 67 LYS N N 67 116.919 116.919 118.009 -1.090 25124 8735 1 13 . 1 1 67 67 LYS HA H 67 4.004 4.004 3.950 0.054 25124 8736 1 13 . 1 1 67 67 LYS C C 67 179.452 179.452 178.405 1.047 25124 8737 1 13 . 1 1 67 67 LYS CA C 67 59.733 59.733 58.876 0.857 25124 8738 1 13 . 1 1 67 67 LYS CB C 67 32.415 32.415 32.052 0.363 25124 8739 1 13 . 1 1 67 67 LYS H H 67 7.667 7.667 8.241 -0.574 25124 8740 1 13 . 1 1 68 68 GLN N N 68 116.851 116.851 118.837 -1.986 25124 8741 1 13 . 1 1 68 68 GLN HA H 68 4.046 4.046 4.074 -0.028 25124 8742 1 13 . 1 1 68 68 GLN C C 68 179.319 179.319 178.230 1.089 25124 8743 1 13 . 1 1 68 68 GLN CA C 68 58.820 58.820 58.944 -0.124 25124 8744 1 13 . 1 1 68 68 GLN CB C 68 28.660 28.660 29.089 -0.429 25124 8745 1 13 . 1 1 68 68 GLN H H 68 7.677 7.677 7.416 0.261 25124 8746 1 13 . 1 1 69 69 ILE N N 69 120.670 120.670 115.951 4.719 25124 8747 1 13 . 1 1 69 69 ILE HA H 69 3.564 3.564 3.816 -0.252 25124 8748 1 13 . 1 1 69 69 ILE C C 69 177.786 177.786 178.438 -0.652 25124 8749 1 13 . 1 1 69 69 ILE CA C 69 65.381 65.381 64.204 1.177 25124 8750 1 13 . 1 1 69 69 ILE CB C 69 37.186 37.186 37.322 -0.136 25124 8751 1 13 . 1 1 69 69 ILE H H 69 8.918 8.918 7.520 1.398 25124 8752 1 13 . 1 1 70 70 LYS N N 70 118.002 118.002 119.414 -1.412 25124 8753 1 13 . 1 1 70 70 LYS HA H 70 3.936 3.936 4.042 -0.106 25124 8754 1 13 . 1 1 70 70 LYS C C 70 177.944 177.944 178.005 -0.061 25124 8755 1 13 . 1 1 70 70 LYS CA C 70 57.351 57.351 58.847 -1.496 25124 8756 1 13 . 1 1 70 70 LYS CB C 70 31.440 31.440 32.191 -0.751 25124 8757 1 13 . 1 1 70 70 LYS H H 70 8.592 8.592 7.438 1.154 25124 8758 1 13 . 1 1 71 71 GLN N N 71 114.891 114.891 115.110 -0.219 25124 8759 1 13 . 1 1 71 71 GLN HA H 71 4.063 4.063 4.217 -0.154 25124 8760 1 13 . 1 1 71 71 GLN C C 71 177.019 177.019 177.563 -0.544 25124 8761 1 13 . 1 1 71 71 GLN CA C 71 58.007 58.007 56.793 1.214 25124 8762 1 13 . 1 1 71 71 GLN CB C 71 29.168 29.168 29.302 -0.134 25124 8763 1 13 . 1 1 71 71 GLN H H 71 7.266 7.266 7.604 -0.338 25124 8764 1 13 . 1 1 72 72 ARG N N 72 116.364 116.364 119.025 -2.661 25124 8765 1 13 . 1 1 72 72 ARG HA H 72 4.130 4.130 4.111 0.019 25124 8766 1 13 . 1 1 72 72 ARG C C 72 175.803 175.803 176.205 -0.402 25124 8767 1 13 . 1 1 72 72 ARG CA C 72 57.174 57.174 57.474 -0.300 25124 8768 1 13 . 1 1 72 72 ARG CB C 72 32.638 32.638 31.251 1.387 25124 8769 1 13 . 1 1 72 72 ARG H H 72 7.254 7.254 8.272 -1.018 25124 8770 1 13 . 1 1 73 73 HIS N N 73 116.981 116.981 113.663 3.318 25124 8771 1 13 . 1 1 73 73 HIS HA H 73 4.994 4.994 5.015 -0.021 25124 8772 1 13 . 1 1 73 73 HIS CA C 73 53.252 53.252 53.301 -0.049 25124 8773 1 13 . 1 1 73 73 HIS CB C 73 31.026 31.026 30.197 0.829 25124 8774 1 13 . 1 1 73 73 HIS H H 73 8.828 8.828 7.570 1.258 25124 8775 1 13 . 1 1 74 74 PRO HA H 74 4.435 4.435 4.397 0.038 25124 8776 1 13 . 1 1 74 74 PRO C C 74 178.156 178.156 177.407 0.749 25124 8777 1 13 . 1 1 74 74 PRO CA C 74 65.284 65.284 64.135 1.149 25124 8778 1 13 . 1 1 74 74 PRO CB C 74 32.130 32.130 31.965 0.165 25124 8779 1 13 . 1 1 75 75 MET N N 75 114.676 114.676 116.955 -2.279 25124 8780 1 13 . 1 1 75 75 MET HA H 75 4.587 4.587 4.386 0.201 25124 8781 1 13 . 1 1 75 75 MET C C 75 176.067 176.067 175.717 0.350 25124 8782 1 13 . 1 1 75 75 MET CA C 75 54.304 54.304 56.482 -2.178 25124 8783 1 13 . 1 1 75 75 MET CB C 75 31.623 31.623 32.710 -1.087 25124 8784 1 13 . 1 1 75 75 MET H H 75 8.648 8.648 8.088 0.560 25124 8785 1 13 . 1 1 76 76 LEU N N 76 125.720 125.720 117.866 7.854 25124 8786 1 13 . 1 1 76 76 LEU HA H 76 4.293 4.293 4.493 -0.200 25124 8787 1 13 . 1 1 76 76 LEU CA C 76 53.472 53.472 51.863 1.609 25124 8788 1 13 . 1 1 76 76 LEU CB C 76 43.540 43.540 41.751 1.789 25124 8789 1 13 . 1 1 76 76 LEU H H 76 7.342 7.342 7.386 -0.044 25124 8790 1 13 . 1 1 77 77 PRO HA H 77 4.440 4.440 4.434 0.006 25124 8791 1 13 . 1 1 77 77 PRO C C 77 175.062 175.062 175.590 -0.528 25124 8792 1 13 . 1 1 77 77 PRO CA C 77 62.841 62.841 62.544 0.297 25124 8793 1 13 . 1 1 77 77 PRO CB C 77 31.903 31.903 32.360 -0.457 25124 8794 1 13 . 1 1 78 78 VAL N N 78 123.116 123.116 119.355 3.761 25124 8795 1 13 . 1 1 78 78 VAL HA H 78 5.093 5.093 4.675 0.418 25124 8796 1 13 . 1 1 78 78 VAL C C 78 175.776 175.776 174.564 1.212 25124 8797 1 13 . 1 1 78 78 VAL CA C 78 60.083 60.083 61.051 -0.968 25124 8798 1 13 . 1 1 78 78 VAL CB C 78 34.245 34.245 36.225 -1.980 25124 8799 1 13 . 1 1 78 78 VAL H H 78 8.369 8.369 8.236 0.133 25124 8800 1 13 . 1 1 79 79 ILE N N 79 129.166 129.166 121.867 7.299 25124 8801 1 13 . 1 1 79 79 ILE HA H 79 4.499 4.499 4.592 -0.093 25124 8802 1 13 . 1 1 79 79 ILE C C 79 174.295 174.295 175.202 -0.907 25124 8803 1 13 . 1 1 79 79 ILE CA C 79 60.030 60.030 60.030 0.000 25124 8804 1 13 . 1 1 79 79 ILE CB C 79 40.222 40.222 41.644 -1.422 25124 8805 1 13 . 1 1 79 79 ILE H H 79 9.436 9.436 7.780 1.656 25124 8806 1 13 . 1 1 80 80 ILE N N 80 128.234 128.234 125.627 2.607 25124 8807 1 13 . 1 1 80 80 ILE HA H 80 5.253 5.253 4.445 0.808 25124 8808 1 13 . 1 1 80 80 ILE C C 80 173.449 173.449 174.173 -0.724 25124 8809 1 13 . 1 1 80 80 ILE CA C 80 56.265 56.265 60.031 -3.766 25124 8810 1 13 . 1 1 80 80 ILE CB C 80 38.176 38.176 38.562 -0.386 25124 8811 1 13 . 1 1 80 80 ILE H H 80 7.920 7.920 8.205 -0.285 25124 8812 1 13 . 1 1 81 81 MET N N 81 124.079 124.079 127.701 -3.622 25124 8813 1 13 . 1 1 81 81 MET HA H 81 5.489 5.489 4.835 0.654 25124 8814 1 13 . 1 1 81 81 MET C C 81 173.820 173.820 173.824 -0.004 25124 8815 1 13 . 1 1 81 81 MET CA C 81 52.889 52.889 54.725 -1.836 25124 8816 1 13 . 1 1 81 81 MET CB C 81 36.663 36.663 35.220 1.443 25124 8817 1 13 . 1 1 81 81 MET H H 81 9.028 9.028 8.330 0.698 25124 8818 1 13 . 1 1 82 82 THR N N 82 108.434 108.434 119.157 -10.723 25124 8819 1 13 . 1 1 82 82 THR HA H 82 5.134 5.134 4.587 0.547 25124 8820 1 13 . 1 1 82 82 THR C C 82 172.550 172.550 172.025 0.525 25124 8821 1 13 . 1 1 82 82 THR CA C 82 60.642 60.642 61.156 -0.514 25124 8822 1 13 . 1 1 82 82 THR CB C 82 68.843 68.843 70.463 -1.620 25124 8823 1 13 . 1 1 82 82 THR H H 82 7.098 7.098 8.321 -1.223 25124 8824 1 13 . 1 1 83 83 ALA N N 83 128.991 128.991 123.329 5.662 25124 8825 1 13 . 1 1 83 83 ALA HA H 83 4.678 4.678 4.829 -0.151 25124 8826 1 13 . 1 1 83 83 ALA C C 83 177.812 177.812 178.194 -0.382 25124 8827 1 13 . 1 1 83 83 ALA CA C 83 52.457 52.457 50.350 2.107 25124 8828 1 13 . 1 1 83 83 ALA CB C 83 19.396 19.396 20.815 -1.419 25124 8829 1 13 . 1 1 83 83 ALA H H 83 8.590 8.590 8.358 0.232 25124 8830 1 13 . 1 1 84 84 HIS N N 84 121.904 121.904 116.072 5.832 25124 8831 1 13 . 1 1 84 84 HIS HA H 84 4.576 4.576 4.249 0.327 25124 8832 1 13 . 1 1 84 84 HIS C C 84 175.512 175.512 175.489 0.023 25124 8833 1 13 . 1 1 84 84 HIS CA C 84 56.674 56.674 58.221 -1.547 25124 8834 1 13 . 1 1 84 84 HIS CB C 84 29.589 29.589 29.370 0.219 25124 8835 1 13 . 1 1 84 84 HIS H H 84 8.865 8.865 8.935 -0.070 25124 8836 1 13 . 1 1 85 85 SER N N 85 114.679 114.679 116.049 -1.370 25124 8837 1 13 . 1 1 85 85 SER HA H 85 4.303 4.303 4.008 0.295 25124 8838 1 13 . 1 1 85 85 SER C C 85 174.560 174.560 174.292 0.268 25124 8839 1 13 . 1 1 85 85 SER CA C 85 58.970 58.970 59.422 -0.452 25124 8840 1 13 . 1 1 85 85 SER CB C 85 62.829 62.829 62.898 -0.069 25124 8841 1 13 . 1 1 85 85 SER H H 85 8.016 8.016 7.522 0.494 25124 8842 1 13 . 1 1 86 86 ASP N N 86 122.325 122.325 120.549 1.776 25124 8843 1 13 . 1 1 86 86 ASP HA H 86 4.761 4.761 4.321 0.440 25124 8844 1 13 . 1 1 86 86 ASP C C 86 176.094 176.094 177.113 -1.019 25124 8845 1 13 . 1 1 86 86 ASP CA C 86 53.627 53.627 55.888 -2.260 25124 8846 1 13 . 1 1 86 86 ASP CB C 86 40.942 40.942 40.420 0.522 25124 8847 1 13 . 1 1 86 86 ASP H H 86 8.054 8.054 8.707 -0.653 25124 8848 1 13 . 1 1 87 87 LEU N N 87 122.041 122.041 119.781 2.260 25124 8849 1 13 . 1 1 87 87 LEU HA H 87 4.069 4.069 3.986 0.083 25124 8850 1 13 . 1 1 87 87 LEU C C 87 177.892 177.892 177.530 0.362 25124 8851 1 13 . 1 1 87 87 LEU CA C 87 57.182 57.182 57.282 -0.100 25124 8852 1 13 . 1 1 87 87 LEU CB C 87 42.015 42.015 41.905 0.110 25124 8853 1 13 . 1 1 87 87 LEU H H 87 8.005 8.005 7.500 0.505 25124 8854 1 13 . 1 1 88 88 ASP N N 88 118.050 118.050 120.472 -2.422 25124 8855 1 13 . 1 1 88 88 ASP HA H 88 4.370 4.370 4.239 0.131 25124 8856 1 13 . 1 1 88 88 ASP C C 88 178.103 178.103 177.931 0.172 25124 8857 1 13 . 1 1 88 88 ASP CA C 88 56.342 56.342 58.302 -1.960 25124 8858 1 13 . 1 1 88 88 ASP CB C 88 40.280 40.280 40.219 0.061 25124 8859 1 13 . 1 1 88 88 ASP H H 88 8.243 8.243 8.537 -0.294 25124 8860 1 13 . 1 1 89 89 ALA N N 89 122.780 122.780 121.711 1.069 25124 8861 1 13 . 1 1 89 89 ALA HA H 89 4.038 4.038 4.096 -0.058 25124 8862 1 13 . 1 1 89 89 ALA C C 89 178.526 178.526 178.836 -0.310 25124 8863 1 13 . 1 1 89 89 ALA CA C 89 54.655 54.655 54.273 0.382 25124 8864 1 13 . 1 1 89 89 ALA CB C 89 18.809 18.809 18.203 0.607 25124 8865 1 13 . 1 1 89 89 ALA H H 89 7.890 7.890 7.726 0.164 25124 8866 1 13 . 1 1 90 90 ALA N N 90 120.040 120.040 121.248 -1.208 25124 8867 1 13 . 1 1 90 90 ALA HA H 90 3.254 3.254 3.716 -0.462 25124 8868 1 13 . 1 1 90 90 ALA C C 90 178.976 178.976 179.425 -0.449 25124 8869 1 13 . 1 1 90 90 ALA CA C 90 55.050 55.050 54.858 0.192 25124 8870 1 13 . 1 1 90 90 ALA CB C 90 17.725 17.725 17.897 -0.172 25124 8871 1 13 . 1 1 90 90 ALA H H 90 7.513 7.513 7.977 -0.464 25124 8872 1 13 . 1 1 91 91 VAL N N 91 116.635 116.635 117.791 -1.156 25124 8873 1 13 . 1 1 91 91 VAL HA H 91 3.637 3.637 3.748 -0.111 25124 8874 1 13 . 1 1 91 91 VAL C C 91 178.632 178.632 178.144 0.488 25124 8875 1 13 . 1 1 91 91 VAL CA C 91 65.971 65.971 66.341 -0.370 25124 8876 1 13 . 1 1 91 91 VAL CB C 91 31.623 31.623 31.249 0.374 25124 8877 1 13 . 1 1 91 91 VAL H H 91 7.877 7.877 7.423 0.455 25124 8878 1 13 . 1 1 92 92 SER N N 92 115.439 115.439 115.522 -0.083 25124 8879 1 13 . 1 1 92 92 SER HA H 92 4.215 4.215 4.096 0.119 25124 8880 1 13 . 1 1 92 92 SER C C 92 175.961 175.961 176.489 -0.528 25124 8881 1 13 . 1 1 92 92 SER CA C 92 61.401 61.401 61.639 -0.238 25124 8882 1 13 . 1 1 92 92 SER CB C 92 62.966 62.966 62.954 0.012 25124 8883 1 13 . 1 1 92 92 SER H H 92 7.912 7.912 7.650 0.262 25124 8884 1 13 . 1 1 93 93 ALA N N 93 122.647 122.647 123.825 -1.178 25124 8885 1 13 . 1 1 93 93 ALA HA H 93 3.786 3.786 4.004 -0.218 25124 8886 1 13 . 1 1 93 93 ALA C C 93 179.293 179.293 179.630 -0.337 25124 8887 1 13 . 1 1 93 93 ALA CA C 93 55.172 55.172 54.862 0.310 25124 8888 1 13 . 1 1 93 93 ALA CB C 93 17.161 17.161 17.918 -0.757 25124 8889 1 13 . 1 1 93 93 ALA H H 93 8.199 8.199 7.949 0.250 25124 8890 1 13 . 1 1 94 94 TYR N N 94 117.796 117.796 117.985 -0.189 25124 8891 1 13 . 1 1 94 94 TYR HA H 94 4.283 4.283 4.290 -0.007 25124 8892 1 13 . 1 1 94 94 TYR C C 94 179.954 179.954 178.341 1.613 25124 8893 1 13 . 1 1 94 94 TYR CA C 94 61.216 61.216 60.490 0.726 25124 8894 1 13 . 1 1 94 94 TYR CB C 94 37.716 37.716 37.607 0.109 25124 8895 1 13 . 1 1 94 94 TYR H H 94 8.065 8.065 7.405 0.660 25124 8896 1 13 . 1 1 95 95 GLN N N 95 120.057 120.057 118.263 1.794 25124 8897 1 13 . 1 1 95 95 GLN HA H 95 4.005 4.005 4.039 -0.034 25124 8898 1 13 . 1 1 95 95 GLN C C 95 177.680 177.680 178.141 -0.461 25124 8899 1 13 . 1 1 95 95 GLN CA C 95 58.471 58.471 58.633 -0.162 25124 8900 1 13 . 1 1 95 95 GLN CB C 95 28.334 28.334 28.677 -0.344 25124 8901 1 13 . 1 1 95 95 GLN H H 95 8.513 8.513 7.586 0.927 25124 8902 1 13 . 1 1 96 96 GLN N N 96 115.323 115.323 116.040 -0.717 25124 8903 1 13 . 1 1 96 96 GLN HA H 96 4.321 4.321 4.284 0.037 25124 8904 1 13 . 1 1 96 96 GLN C C 96 175.538 175.538 176.960 -1.422 25124 8905 1 13 . 1 1 96 96 GLN CA C 96 55.379 55.379 56.343 -0.964 25124 8906 1 13 . 1 1 96 96 GLN CB C 96 28.915 28.915 29.835 -0.920 25124 8907 1 13 . 1 1 96 96 GLN H H 96 7.774 7.774 7.695 0.079 25124 8908 1 13 . 1 1 97 97 GLY N N 97 104.173 104.173 107.770 -3.597 25124 8909 1 13 . 1 1 97 97 GLY C C 97 175.168 175.168 174.058 1.110 25124 8910 1 13 . 1 1 97 97 GLY CA C 97 45.491 45.491 44.511 0.980 25124 8911 1 13 . 1 1 97 97 GLY H H 97 7.576 7.576 7.469 0.107 25124 8912 1 13 . 1 1 98 98 ALA N N 98 123.484 123.484 120.554 2.930 25124 8913 1 13 . 1 1 98 98 ALA HA H 98 4.266 4.266 4.181 0.085 25124 8914 1 13 . 1 1 98 98 ALA C C 98 176.067 176.067 176.705 -0.638 25124 8915 1 13 . 1 1 98 98 ALA CA C 98 53.008 53.008 52.698 0.310 25124 8916 1 13 . 1 1 98 98 ALA CB C 98 18.556 18.556 19.902 -1.347 25124 8917 1 13 . 1 1 98 98 ALA H H 98 8.358 8.358 7.663 0.695 25124 8918 1 13 . 1 1 99 99 PHE N N 99 123.551 123.551 120.043 3.508 25124 8919 1 13 . 1 1 99 99 PHE HA H 99 4.259 4.259 4.622 -0.363 25124 8920 1 13 . 1 1 99 99 PHE C C 99 175.432 175.432 175.678 -0.246 25124 8921 1 13 . 1 1 99 99 PHE CA C 99 60.274 60.274 59.258 1.016 25124 8922 1 13 . 1 1 99 99 PHE CB C 99 40.375 40.375 40.771 -0.396 25124 8923 1 13 . 1 1 99 99 PHE H H 99 9.477 9.477 8.600 0.877 25124 8924 1 13 . 1 1 100 100 ASP N N 100 110.678 110.678 115.235 -4.557 25124 8925 1 13 . 1 1 100 100 ASP HA H 100 4.547 4.547 4.953 -0.406 25124 8926 1 13 . 1 1 100 100 ASP C C 100 173.053 173.053 173.740 -0.687 25124 8927 1 13 . 1 1 100 100 ASP CA C 100 52.527 52.527 53.919 -1.391 25124 8928 1 13 . 1 1 100 100 ASP CB C 100 44.789 44.789 43.569 1.220 25124 8929 1 13 . 1 1 100 100 ASP H H 100 7.683 7.683 8.252 -0.569 25124 8930 1 13 . 1 1 101 101 TYR N N 101 122.174 122.174 121.581 0.593 25124 8931 1 13 . 1 1 101 101 TYR HA H 101 5.425 5.425 5.250 0.175 25124 8932 1 13 . 1 1 101 101 TYR C C 101 172.550 172.550 174.334 -1.784 25124 8933 1 13 . 1 1 101 101 TYR CA C 101 55.865 55.865 56.281 -0.416 25124 8934 1 13 . 1 1 101 101 TYR CB C 101 41.760 41.760 39.620 2.140 25124 8935 1 13 . 1 1 101 101 TYR H H 101 9.874 9.874 8.652 1.222 25124 8936 1 13 . 1 1 102 102 LEU N N 102 129.337 129.337 130.881 -1.544 25124 8937 1 13 . 1 1 102 102 LEU HA H 102 4.677 4.677 4.612 0.065 25124 8938 1 13 . 1 1 102 102 LEU CA C 102 50.418 50.418 51.097 -0.679 25124 8939 1 13 . 1 1 102 102 LEU CB C 102 45.066 45.066 42.660 2.405 25124 8940 1 13 . 1 1 102 102 LEU H H 102 8.974 8.974 8.008 0.966 25124 8941 1 13 . 1 1 103 103 PRO HA H 103 4.552 4.552 4.481 0.071 25124 8942 1 13 . 1 1 103 103 PRO C C 103 176.067 176.067 175.544 0.523 25124 8943 1 13 . 1 1 103 103 PRO CA C 103 61.951 61.951 62.255 -0.304 25124 8944 1 13 . 1 1 103 103 PRO CB C 103 31.829 31.829 32.209 -0.380 25124 8945 1 13 . 1 1 104 104 LYS N N 104 118.403 118.403 120.298 -1.895 25124 8946 1 13 . 1 1 104 104 LYS HA H 104 4.459 4.459 5.008 -0.549 25124 8947 1 13 . 1 1 104 104 LYS CA C 104 53.204 53.204 53.521 -0.317 25124 8948 1 13 . 1 1 104 104 LYS CB C 104 34.500 34.500 31.755 2.745 25124 8949 1 13 . 1 1 104 104 LYS H H 104 8.013 8.013 8.082 -0.069 25124 8950 1 13 . 1 1 105 105 PRO HA H 105 4.258 4.258 4.431 -0.173 25124 8951 1 13 . 1 1 105 105 PRO C C 105 174.930 174.930 175.936 -1.006 25124 8952 1 13 . 1 1 105 105 PRO CA C 105 62.213 62.213 63.075 -0.862 25124 8953 1 13 . 1 1 105 105 PRO CB C 105 34.151 34.151 31.923 2.228 25124 8954 1 13 . 1 1 106 106 PHE N N 106 116.796 116.796 120.550 -3.754 25124 8955 1 13 . 1 1 106 106 PHE HA H 106 5.169 5.169 4.738 0.431 25124 8956 1 13 . 1 1 106 106 PHE C C 106 175.194 175.194 174.686 0.508 25124 8957 1 13 . 1 1 106 106 PHE CA C 106 53.244 53.244 55.424 -2.180 25124 8958 1 13 . 1 1 106 106 PHE CB C 106 40.477 40.477 40.696 -0.219 25124 8959 1 13 . 1 1 106 106 PHE H H 106 7.399 7.399 7.359 0.040 25124 8960 1 13 . 1 1 107 107 ASP N N 107 122.212 122.212 122.823 -0.611 25124 8961 1 13 . 1 1 107 107 ASP HA H 107 4.823 4.823 4.997 -0.174 25124 8962 1 13 . 1 1 107 107 ASP C C 107 177.812 177.812 177.001 0.811 25124 8963 1 13 . 1 1 107 107 ASP CA C 107 53.392 53.392 53.632 -0.240 25124 8964 1 13 . 1 1 107 107 ASP CB C 107 42.455 42.455 41.460 0.995 25124 8965 1 13 . 1 1 107 107 ASP H H 107 9.047 9.047 8.662 0.385 25124 8966 1 13 . 1 1 108 108 ILE N N 108 127.963 127.963 121.033 6.930 25124 8967 1 13 . 1 1 108 108 ILE HA H 108 3.949 3.949 4.116 -0.167 25124 8968 1 13 . 1 1 108 108 ILE C C 108 176.226 176.226 176.853 -0.627 25124 8969 1 13 . 1 1 108 108 ILE CA C 108 63.105 63.105 64.378 -1.273 25124 8970 1 13 . 1 1 108 108 ILE CB C 108 37.665 37.665 37.570 0.095 25124 8971 1 13 . 1 1 108 108 ILE H H 108 8.898 8.898 8.501 0.397 25124 8972 1 13 . 1 1 109 109 ASP N N 109 119.804 119.804 120.837 -1.033 25124 8973 1 13 . 1 1 109 109 ASP HA H 109 4.393 4.393 4.364 0.029 25124 8974 1 13 . 1 1 109 109 ASP C C 109 179.848 179.848 178.584 1.264 25124 8975 1 13 . 1 1 109 109 ASP CA C 109 57.483 57.483 57.984 -0.501 25124 8976 1 13 . 1 1 109 109 ASP CB C 109 39.986 39.986 40.365 -0.379 25124 8977 1 13 . 1 1 109 109 ASP H H 109 8.098 8.098 8.592 -0.494 25124 8978 1 13 . 1 1 110 110 GLU N N 110 121.667 121.667 119.399 2.268 25124 8979 1 13 . 1 1 110 110 GLU HA H 110 4.085 4.085 4.333 -0.248 25124 8980 1 13 . 1 1 110 110 GLU C C 110 178.976 178.976 178.042 0.934 25124 8981 1 13 . 1 1 110 110 GLU CA C 110 58.790 58.790 57.987 0.803 25124 8982 1 13 . 1 1 110 110 GLU CB C 110 29.330 29.330 29.714 -0.384 25124 8983 1 13 . 1 1 110 110 GLU H H 110 8.059 8.059 8.027 0.032 25124 8984 1 13 . 1 1 111 111 ALA N N 111 122.208 122.208 122.877 -0.669 25124 8985 1 13 . 1 1 111 111 ALA HA H 111 3.758 3.758 4.205 -0.447 25124 8986 1 13 . 1 1 111 111 ALA C C 111 178.605 178.605 179.364 -0.759 25124 8987 1 13 . 1 1 111 111 ALA CA C 111 55.320 55.320 54.997 0.323 25124 8988 1 13 . 1 1 111 111 ALA CB C 111 18.174 18.174 18.373 -0.199 25124 8989 1 13 . 1 1 111 111 ALA H H 111 7.903 7.903 7.732 0.171 25124 8990 1 13 . 1 1 112 112 VAL N N 112 116.429 116.429 118.247 -1.818 25124 8991 1 13 . 1 1 112 112 VAL HA H 112 3.194 3.194 3.616 -0.422 25124 8992 1 13 . 1 1 112 112 VAL C C 112 177.230 177.230 177.823 -0.593 25124 8993 1 13 . 1 1 112 112 VAL CA C 112 67.154 67.154 67.176 -0.022 25124 8994 1 13 . 1 1 112 112 VAL CB C 112 31.538 31.538 31.293 0.245 25124 8995 1 13 . 1 1 112 112 VAL H H 112 8.032 8.032 8.171 -0.139 25124 8996 1 13 . 1 1 113 113 ALA N N 113 120.198 120.198 120.474 -0.276 25124 8997 1 13 . 1 1 113 113 ALA HA H 113 4.159 4.159 4.260 -0.101 25124 8998 1 13 . 1 1 113 113 ALA C C 113 180.589 180.589 179.256 1.333 25124 8999 1 13 . 1 1 113 113 ALA CA C 113 54.902 54.902 54.316 0.586 25124 9000 1 13 . 1 1 113 113 ALA CB C 113 17.980 17.980 18.694 -0.714 25124 9001 1 13 . 1 1 113 113 ALA H H 113 7.723 7.723 7.823 -0.100 25124 9002 1 13 . 1 1 114 114 LEU N N 114 120.742 120.742 119.899 0.843 25124 9003 1 13 . 1 1 114 114 LEU HA H 114 4.102 4.102 4.209 -0.107 25124 9004 1 13 . 1 1 114 114 LEU C C 114 178.605 178.605 178.348 0.257 25124 9005 1 13 . 1 1 114 114 LEU CA C 114 58.181 58.181 57.226 0.955 25124 9006 1 13 . 1 1 114 114 LEU CB C 114 42.032 42.032 42.146 -0.114 25124 9007 1 13 . 1 1 114 114 LEU H H 114 7.928 7.928 7.370 0.558 25124 9008 1 13 . 1 1 115 115 VAL N N 115 119.478 119.478 118.725 0.753 25124 9009 1 13 . 1 1 115 115 VAL HA H 115 3.250 3.250 3.598 -0.348 25124 9010 1 13 . 1 1 115 115 VAL C C 115 177.548 177.548 178.334 -0.786 25124 9011 1 13 . 1 1 115 115 VAL CA C 115 67.168 67.168 65.872 1.296 25124 9012 1 13 . 1 1 115 115 VAL CB C 115 30.760 30.760 30.989 -0.229 25124 9013 1 13 . 1 1 115 115 VAL H H 115 7.846 7.846 8.331 -0.485 25124 9014 1 13 . 1 1 116 116 GLU N N 116 117.570 117.570 117.552 0.018 25124 9015 1 13 . 1 1 116 116 GLU HA H 116 3.809 3.809 4.135 -0.326 25124 9016 1 13 . 1 1 116 116 GLU C C 116 179.557 179.557 178.832 0.725 25124 9017 1 13 . 1 1 116 116 GLU CA C 116 59.974 59.974 58.225 1.749 25124 9018 1 13 . 1 1 116 116 GLU CB C 116 29.084 29.084 29.119 -0.035 25124 9019 1 13 . 1 1 116 116 GLU H H 116 8.462 8.462 7.909 0.553 25124 9020 1 13 . 1 1 117 117 ARG N N 117 120.263 120.263 119.709 0.554 25124 9021 1 13 . 1 1 117 117 ARG HA H 117 4.109 4.109 4.085 0.024 25124 9022 1 13 . 1 1 117 117 ARG C C 117 178.500 178.500 178.312 0.188 25124 9023 1 13 . 1 1 117 117 ARG CA C 117 59.411 59.411 59.683 -0.272 25124 9024 1 13 . 1 1 117 117 ARG CB C 117 30.414 30.414 30.226 0.188 25124 9025 1 13 . 1 1 117 117 ARG H H 117 8.090 8.090 7.585 0.505 25124 9026 1 13 . 1 1 118 118 ALA N N 118 122.157 122.157 119.524 2.633 25124 9027 1 13 . 1 1 118 118 ALA HA H 118 3.467 3.467 4.164 -0.697 25124 9028 1 13 . 1 1 118 118 ALA C C 118 178.632 178.632 179.675 -1.043 25124 9029 1 13 . 1 1 118 118 ALA CA C 118 54.739 54.739 53.820 0.919 25124 9030 1 13 . 1 1 118 118 ALA CB C 118 18.280 18.280 17.898 0.382 25124 9031 1 13 . 1 1 118 118 ALA H H 118 8.005 8.005 7.278 0.727 25124 9032 1 13 . 1 1 119 119 ILE N N 119 115.429 115.429 120.003 -4.574 25124 9033 1 13 . 1 1 119 119 ILE HA H 119 3.706 3.706 3.716 -0.010 25124 9034 1 13 . 1 1 119 119 ILE C C 119 177.442 177.442 178.540 -1.098 25124 9035 1 13 . 1 1 119 119 ILE CA C 119 63.910 63.910 64.826 -0.916 25124 9036 1 13 . 1 1 119 119 ILE CB C 119 37.939 37.939 37.586 0.353 25124 9037 1 13 . 1 1 119 119 ILE H H 119 7.788 7.788 7.453 0.335 25124 9038 1 13 . 1 1 120 120 SER N N 120 114.902 114.902 116.236 -1.334 25124 9039 1 13 . 1 1 120 120 SER HA H 120 4.285 4.285 4.090 0.195 25124 9040 1 13 . 1 1 120 120 SER C C 120 175.142 175.142 176.726 -1.584 25124 9041 1 13 . 1 1 120 120 SER CA C 120 59.871 59.871 61.799 -1.928 25124 9042 1 13 . 1 1 120 120 SER CB C 120 63.522 63.522 62.772 0.750 25124 9043 1 13 . 1 1 120 120 SER H H 120 7.881 7.881 8.547 -0.666 25124 9044 1 13 . 1 1 121 121 HIS N N 121 119.927 119.927 121.218 -1.291 25124 9045 1 13 . 1 1 121 121 HIS HA H 121 4.439 4.439 4.228 0.211 25124 9046 1 13 . 1 1 121 121 HIS C C 121 174.957 174.957 175.641 -0.684 25124 9047 1 13 . 1 1 121 121 HIS CA C 121 57.362 57.362 58.369 -1.007 25124 9048 1 13 . 1 1 121 121 HIS CB C 121 29.496 29.496 29.854 -0.358 25124 9049 1 13 . 1 1 121 121 HIS H H 121 7.960 7.960 7.883 0.077 25124 9050 1 13 . 1 1 122 122 TYR N N 122 118.745 118.745 116.671 2.074 25124 9051 1 13 . 1 1 122 122 TYR HA H 122 4.455 4.455 4.882 -0.427 25124 9052 1 13 . 1 1 122 122 TYR C C 122 175.353 175.353 174.606 0.747 25124 9053 1 13 . 1 1 122 122 TYR CA C 122 58.528 58.528 57.484 1.044 25124 9054 1 13 . 1 1 122 122 TYR CB C 122 38.726 38.726 38.697 0.029 25124 9055 1 13 . 1 1 122 122 TYR H H 122 7.776 7.776 7.866 -0.090 25124 9056 1 13 . 1 1 123 123 GLN N N 123 121.424 121.424 119.796 1.628 25124 9057 1 13 . 1 1 123 123 GLN HA H 123 4.294 4.294 4.553 -0.259 25124 9058 1 13 . 1 1 123 123 GLN C C 123 174.560 174.560 174.010 0.550 25124 9059 1 13 . 1 1 123 123 GLN CA C 123 55.658 55.658 55.477 0.181 25124 9060 1 13 . 1 1 123 123 GLN CB C 123 29.877 29.877 32.373 -2.496 25124 9061 1 13 . 1 1 123 123 GLN H H 123 7.904 7.904 7.827 0.077 25124 9062 1 14 . 1 1 2 2 GLN HA H 2 4.453 4.453 4.539 -0.086 25124 9063 1 14 . 1 1 2 2 GLN C C 2 174.930 174.930 175.183 -0.253 25124 9064 1 14 . 1 1 2 2 GLN CA C 2 55.627 55.627 56.439 -0.812 25124 9065 1 14 . 1 1 2 2 GLN CB C 2 29.312 29.312 28.303 1.009 25124 9066 1 14 . 1 1 3 3 ARG N N 3 121.349 121.349 124.568 -3.219 25124 9067 1 14 . 1 1 3 3 ARG HA H 3 4.390 4.390 4.565 -0.175 25124 9068 1 14 . 1 1 3 3 ARG C C 3 175.723 175.723 174.109 1.614 25124 9069 1 14 . 1 1 3 3 ARG CA C 3 56.041 56.041 55.745 0.296 25124 9070 1 14 . 1 1 3 3 ARG CB C 3 31.395 31.395 33.343 -1.948 25124 9071 1 14 . 1 1 3 3 ARG H H 3 8.451 8.451 8.216 0.235 25124 9072 1 14 . 1 1 4 4 GLY N N 4 107.889 107.889 108.741 -0.852 25124 9073 1 14 . 1 1 4 4 GLY C C 4 171.122 171.122 172.611 -1.489 25124 9074 1 14 . 1 1 4 4 GLY CA C 4 45.333 45.333 44.561 0.772 25124 9075 1 14 . 1 1 4 4 GLY H H 4 8.037 8.037 8.335 -0.298 25124 9076 1 14 . 1 1 5 5 ILE N N 5 122.674 122.674 121.065 1.609 25124 9077 1 14 . 1 1 5 5 ILE HA H 5 4.731 4.731 3.919 0.812 25124 9078 1 14 . 1 1 5 5 ILE C C 5 175.459 175.459 175.380 0.079 25124 9079 1 14 . 1 1 5 5 ILE CA C 5 60.614 60.614 62.686 -2.072 25124 9080 1 14 . 1 1 5 5 ILE CB C 5 39.535 39.535 37.790 1.745 25124 9081 1 14 . 1 1 5 5 ILE H H 5 9.605 9.605 8.372 1.233 25124 9082 1 14 . 1 1 6 6 VAL N N 6 127.532 127.532 127.662 -0.130 25124 9083 1 14 . 1 1 6 6 VAL HA H 6 4.892 4.892 4.408 0.484 25124 9084 1 14 . 1 1 6 6 VAL C C 6 174.110 174.110 175.337 -1.227 25124 9085 1 14 . 1 1 6 6 VAL CA C 6 59.255 59.255 61.539 -2.284 25124 9086 1 14 . 1 1 6 6 VAL CB C 6 34.530 34.530 33.344 1.186 25124 9087 1 14 . 1 1 6 6 VAL H H 6 9.135 9.135 8.308 0.827 25124 9088 1 14 . 1 1 7 7 TRP N N 7 127.409 127.409 129.343 -1.934 25124 9089 1 14 . 1 1 7 7 TRP HA H 7 6.447 6.447 5.236 1.211 25124 9090 1 14 . 1 1 7 7 TRP C C 7 175.089 175.089 174.993 0.096 25124 9091 1 14 . 1 1 7 7 TRP CA C 7 52.797 52.797 54.649 -1.852 25124 9092 1 14 . 1 1 7 7 TRP CB C 7 33.255 33.255 30.627 2.628 25124 9093 1 14 . 1 1 7 7 TRP H H 7 8.544 8.544 8.185 0.359 25124 9094 1 14 . 1 1 8 8 VAL N N 8 122.270 122.270 124.201 -1.931 25124 9095 1 14 . 1 1 8 8 VAL HA H 8 5.135 5.135 4.461 0.674 25124 9096 1 14 . 1 1 8 8 VAL C C 8 173.820 173.820 173.899 -0.079 25124 9097 1 14 . 1 1 8 8 VAL CA C 8 60.457 60.457 61.572 -1.115 25124 9098 1 14 . 1 1 8 8 VAL CB C 8 35.893 35.893 34.247 1.646 25124 9099 1 14 . 1 1 8 8 VAL H H 8 8.643 8.643 8.528 0.115 25124 9100 1 14 . 1 1 9 9 VAL N N 9 126.806 126.806 127.981 -1.175 25124 9101 1 14 . 1 1 9 9 VAL HA H 9 5.192 5.192 4.258 0.934 25124 9102 1 14 . 1 1 9 9 VAL C C 9 172.550 172.550 173.847 -1.297 25124 9103 1 14 . 1 1 9 9 VAL CA C 9 58.384 58.384 61.023 -2.639 25124 9104 1 14 . 1 1 9 9 VAL CB C 9 34.135 34.135 31.992 2.143 25124 9105 1 14 . 1 1 9 9 VAL H H 9 9.113 9.113 8.616 0.497 25124 9106 1 14 . 1 1 10 10 ASP N N 10 125.011 125.011 126.133 -1.122 25124 9107 1 14 . 1 1 10 10 ASP HA H 10 4.554 4.554 4.777 -0.223 25124 9108 1 14 . 1 1 10 10 ASP C C 10 174.877 174.877 174.254 0.623 25124 9109 1 14 . 1 1 10 10 ASP CA C 10 55.066 55.066 53.613 1.453 25124 9110 1 14 . 1 1 10 10 ASP CB C 10 44.131 44.131 43.919 0.212 25124 9111 1 14 . 1 1 10 10 ASP H H 10 7.881 7.881 8.005 -0.124 25124 9112 1 14 . 1 1 11 11 ASP N N 11 124.048 124.048 123.376 0.672 25124 9113 1 14 . 1 1 11 11 ASP HA H 11 4.613 4.613 4.839 -0.226 25124 9114 1 14 . 1 1 11 11 ASP C C 11 175.089 175.089 174.995 0.094 25124 9115 1 14 . 1 1 11 11 ASP CA C 11 55.346 55.346 53.276 2.070 25124 9116 1 14 . 1 1 11 11 ASP CB C 11 39.583 39.583 40.608 -1.025 25124 9117 1 14 . 1 1 11 11 ASP H H 11 9.166 9.166 8.687 0.479 25124 9118 1 14 . 1 1 12 12 ASP N N 12 125.165 125.165 122.936 2.229 25124 9119 1 14 . 1 1 12 12 ASP HA H 12 4.757 4.757 4.819 -0.062 25124 9120 1 14 . 1 1 12 12 ASP C C 12 176.993 176.993 176.094 0.899 25124 9121 1 14 . 1 1 12 12 ASP CA C 12 53.112 53.112 54.233 -1.121 25124 9122 1 14 . 1 1 12 12 ASP CB C 12 41.072 41.072 43.539 -2.467 25124 9123 1 14 . 1 1 12 12 ASP H H 12 10.290 10.290 7.791 2.499 25124 9124 1 14 . 1 1 13 13 SER N N 13 123.818 123.818 120.130 3.688 25124 9125 1 14 . 1 1 13 13 SER HA H 13 3.719 3.719 4.332 -0.613 25124 9126 1 14 . 1 1 13 13 SER C C 13 176.146 176.146 176.053 0.093 25124 9127 1 14 . 1 1 13 13 SER CA C 13 61.341 61.341 61.127 0.214 25124 9128 1 14 . 1 1 13 13 SER CB C 13 62.638 62.638 63.745 -1.107 25124 9129 1 14 . 1 1 13 13 SER H H 13 8.993 8.993 8.808 0.185 25124 9130 1 14 . 1 1 14 14 SER N N 14 118.714 118.714 118.234 0.480 25124 9131 1 14 . 1 1 14 14 SER HA H 14 4.322 4.322 4.329 -0.007 25124 9132 1 14 . 1 1 14 14 SER C C 14 176.411 176.411 176.384 0.027 25124 9133 1 14 . 1 1 14 14 SER CA C 14 61.717 61.717 61.792 -0.075 25124 9134 1 14 . 1 1 14 14 SER CB C 14 62.554 62.554 62.939 -0.385 25124 9135 1 14 . 1 1 14 14 SER H H 14 8.499 8.499 7.909 0.590 25124 9136 1 14 . 1 1 15 15 ILE N N 15 122.822 122.822 120.405 2.417 25124 9137 1 14 . 1 1 15 15 ILE HA H 15 3.972 3.972 4.099 -0.127 25124 9138 1 14 . 1 1 15 15 ILE C C 15 177.786 177.786 177.843 -0.057 25124 9139 1 14 . 1 1 15 15 ILE CA C 15 60.784 60.784 61.728 -0.944 25124 9140 1 14 . 1 1 15 15 ILE CB C 15 36.016 36.016 36.717 -0.701 25124 9141 1 14 . 1 1 15 15 ILE H H 15 7.011 7.011 8.149 -1.138 25124 9142 1 14 . 1 1 16 16 ARG N N 16 116.580 116.580 120.509 -3.929 25124 9143 1 14 . 1 1 16 16 ARG HA H 16 3.711 3.711 4.096 -0.385 25124 9144 1 14 . 1 1 16 16 ARG C C 16 177.336 177.336 178.209 -0.873 25124 9145 1 14 . 1 1 16 16 ARG CA C 16 61.632 61.632 59.673 1.959 25124 9146 1 14 . 1 1 16 16 ARG CB C 16 30.520 30.520 30.403 0.117 25124 9147 1 14 . 1 1 16 16 ARG H H 16 7.370 7.370 8.135 -0.765 25124 9148 1 14 . 1 1 17 17 TRP N N 17 116.893 116.893 121.922 -5.029 25124 9149 1 14 . 1 1 17 17 TRP HA H 17 4.481 4.481 4.288 0.193 25124 9150 1 14 . 1 1 17 17 TRP C C 17 178.394 178.394 177.830 0.564 25124 9151 1 14 . 1 1 17 17 TRP CA C 17 60.482 60.482 61.616 -1.134 25124 9152 1 14 . 1 1 17 17 TRP CB C 17 29.372 29.372 29.096 0.276 25124 9153 1 14 . 1 1 17 17 TRP H H 17 8.020 8.020 8.595 -0.575 25124 9154 1 14 . 1 1 18 18 VAL N N 18 116.799 116.799 116.033 0.766 25124 9155 1 14 . 1 1 18 18 VAL HA H 18 3.662 3.662 2.637 1.025 25124 9156 1 14 . 1 1 18 18 VAL C C 18 179.161 179.161 177.717 1.444 25124 9157 1 14 . 1 1 18 18 VAL CA C 18 65.858 65.858 65.583 0.275 25124 9158 1 14 . 1 1 18 18 VAL CB C 18 31.792 31.792 30.961 0.831 25124 9159 1 14 . 1 1 18 18 VAL H H 18 8.085 8.085 7.500 0.585 25124 9160 1 14 . 1 1 19 19 LEU N N 19 119.595 119.595 120.088 -0.493 25124 9161 1 14 . 1 1 19 19 LEU HA H 19 4.083 4.083 3.820 0.263 25124 9162 1 14 . 1 1 19 19 LEU C C 19 177.759 177.759 178.809 -1.050 25124 9163 1 14 . 1 1 19 19 LEU CA C 19 57.971 57.971 57.875 0.096 25124 9164 1 14 . 1 1 19 19 LEU CB C 19 41.863 41.863 41.583 0.280 25124 9165 1 14 . 1 1 19 19 LEU H H 19 8.035 8.035 7.140 0.895 25124 9166 1 14 . 1 1 20 20 GLU N N 20 120.318 120.318 120.404 -0.086 25124 9167 1 14 . 1 1 20 20 GLU HA H 20 4.007 4.007 3.892 0.115 25124 9168 1 14 . 1 1 20 20 GLU C C 20 178.500 178.500 179.285 -0.785 25124 9169 1 14 . 1 1 20 20 GLU CA C 20 60.567 60.567 59.462 1.105 25124 9170 1 14 . 1 1 20 20 GLU CB C 20 29.073 29.073 29.489 -0.416 25124 9171 1 14 . 1 1 20 20 GLU H H 20 8.417 8.417 8.620 -0.203 25124 9172 1 14 . 1 1 21 21 ARG N N 21 115.981 115.981 117.990 -2.009 25124 9173 1 14 . 1 1 21 21 ARG HA H 21 3.898 3.898 3.961 -0.063 25124 9174 1 14 . 1 1 21 21 ARG C C 21 179.769 179.769 177.851 1.918 25124 9175 1 14 . 1 1 21 21 ARG CA C 21 58.491 58.491 58.454 0.037 25124 9176 1 14 . 1 1 21 21 ARG CB C 21 29.966 29.966 29.962 0.004 25124 9177 1 14 . 1 1 21 21 ARG H H 21 7.579 7.579 8.329 -0.750 25124 9178 1 14 . 1 1 22 22 ALA N N 22 122.267 122.267 121.767 0.500 25124 9179 1 14 . 1 1 22 22 ALA HA H 22 4.110 4.110 4.168 -0.058 25124 9180 1 14 . 1 1 22 22 ALA C C 22 180.456 180.456 179.627 0.829 25124 9181 1 14 . 1 1 22 22 ALA CA C 22 54.643 54.643 54.515 0.128 25124 9182 1 14 . 1 1 22 22 ALA CB C 22 19.225 19.225 18.642 0.584 25124 9183 1 14 . 1 1 22 22 ALA H H 22 7.933 7.933 7.547 0.386 25124 9184 1 14 . 1 1 23 23 LEU N N 23 118.139 118.139 120.057 -1.918 25124 9185 1 14 . 1 1 23 23 LEU HA H 23 4.005 4.005 3.957 0.048 25124 9186 1 14 . 1 1 23 23 LEU C C 23 178.843 178.843 179.112 -0.269 25124 9187 1 14 . 1 1 23 23 LEU CA C 23 57.765 57.765 58.024 -0.259 25124 9188 1 14 . 1 1 23 23 LEU CB C 23 39.919 39.919 41.425 -1.506 25124 9189 1 14 . 1 1 23 23 LEU H H 23 8.855 8.855 8.678 0.177 25124 9190 1 14 . 1 1 24 24 ALA N N 24 122.164 122.164 120.484 1.680 25124 9191 1 14 . 1 1 24 24 ALA HA H 24 4.665 4.665 4.023 0.642 25124 9192 1 14 . 1 1 24 24 ALA C C 24 183.206 183.206 179.770 3.436 25124 9193 1 14 . 1 1 24 24 ALA CA C 24 54.812 54.812 54.737 0.075 25124 9194 1 14 . 1 1 24 24 ALA CB C 24 17.820 17.820 18.254 -0.434 25124 9195 1 14 . 1 1 24 24 ALA H H 24 8.238 8.238 8.187 0.051 25124 9196 1 14 . 1 1 25 25 GLY N N 25 106.903 106.903 105.770 1.133 25124 9197 1 14 . 1 1 25 25 GLY C C 25 174.375 174.375 175.675 -1.300 25124 9198 1 14 . 1 1 25 25 GLY CA C 25 46.550 46.550 45.564 0.986 25124 9199 1 14 . 1 1 25 25 GLY H H 25 7.907 7.907 7.687 0.220 25124 9200 1 14 . 1 1 26 26 ALA N N 26 121.832 121.832 122.805 -0.973 25124 9201 1 14 . 1 1 26 26 ALA HA H 26 4.505 4.505 4.253 0.252 25124 9202 1 14 . 1 1 26 26 ALA CA C 26 51.585 51.585 52.522 -0.937 25124 9203 1 14 . 1 1 26 26 ALA CB C 26 18.799 18.799 19.428 -0.629 25124 9204 1 14 . 1 1 26 26 ALA H H 26 7.316 7.316 8.052 -0.736 25124 9205 1 14 . 1 1 27 27 GLY N N 27 106.146 106.146 105.551 0.595 25124 9206 1 14 . 1 1 27 27 GLY C C 27 174.057 174.057 174.585 -0.528 25124 9207 1 14 . 1 1 27 27 GLY CA C 27 45.333 45.333 44.881 0.452 25124 9208 1 14 . 1 1 27 27 GLY H H 27 7.868 7.868 8.273 -0.405 25124 9209 1 14 . 1 1 28 28 LEU N N 28 120.273 120.273 121.514 -1.241 25124 9210 1 14 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.152 0.423 25124 9211 1 14 . 1 1 28 28 LEU C C 28 175.988 175.988 177.225 -1.237 25124 9212 1 14 . 1 1 28 28 LEU CA C 28 53.881 53.881 54.936 -1.055 25124 9213 1 14 . 1 1 28 28 LEU CB C 28 42.540 42.540 42.096 0.444 25124 9214 1 14 . 1 1 28 28 LEU H H 28 7.659 7.659 7.516 0.143 25124 9215 1 14 . 1 1 29 29 THR N N 29 118.173 118.173 118.447 -0.274 25124 9216 1 14 . 1 1 29 29 THR HA H 29 4.346 4.346 4.192 0.154 25124 9217 1 14 . 1 1 29 29 THR C C 29 173.344 173.344 173.767 -0.423 25124 9218 1 14 . 1 1 29 29 THR CA C 29 62.598 62.598 63.410 -0.812 25124 9219 1 14 . 1 1 29 29 THR CB C 29 69.423 69.423 67.608 1.815 25124 9220 1 14 . 1 1 29 29 THR H H 29 8.562 8.562 8.284 0.278 25124 9221 1 14 . 1 1 30 30 CYS N N 30 128.450 128.450 127.335 1.115 25124 9222 1 14 . 1 1 30 30 CYS HA H 30 6.012 6.012 4.444 1.568 25124 9223 1 14 . 1 1 30 30 CYS C C 30 173.978 173.978 174.463 -0.485 25124 9224 1 14 . 1 1 30 30 CYS CA C 30 56.424 56.424 58.966 -2.542 25124 9225 1 14 . 1 1 30 30 CYS CB C 30 29.615 29.615 28.707 0.908 25124 9226 1 14 . 1 1 30 30 CYS H H 30 9.035 9.035 8.214 0.821 25124 9227 1 14 . 1 1 31 31 THR N N 31 126.377 126.377 123.368 3.009 25124 9228 1 14 . 1 1 31 31 THR HA H 31 4.442 4.442 4.537 -0.095 25124 9229 1 14 . 1 1 31 31 THR C C 31 172.683 172.683 172.651 0.032 25124 9230 1 14 . 1 1 31 31 THR CA C 31 61.956 61.956 61.460 0.496 25124 9231 1 14 . 1 1 31 31 THR CB C 31 70.624 70.624 71.990 -1.367 25124 9232 1 14 . 1 1 31 31 THR H H 31 8.510 8.510 8.330 0.180 25124 9233 1 14 . 1 1 32 32 THR N N 32 115.988 115.988 112.111 3.877 25124 9234 1 14 . 1 1 32 32 THR HA H 32 5.454 5.454 4.733 0.721 25124 9235 1 14 . 1 1 32 32 THR C C 32 172.259 172.259 172.734 -0.475 25124 9236 1 14 . 1 1 32 32 THR CA C 32 59.101 59.101 60.736 -1.635 25124 9237 1 14 . 1 1 32 32 THR CB C 32 71.173 71.173 71.567 -0.394 25124 9238 1 14 . 1 1 32 32 THR H H 32 8.301 8.301 7.609 0.692 25124 9239 1 14 . 1 1 33 33 PHE N N 33 117.690 117.690 118.590 -0.900 25124 9240 1 14 . 1 1 33 33 PHE HA H 33 4.723 4.723 4.751 -0.028 25124 9241 1 14 . 1 1 33 33 PHE C C 33 174.507 174.507 175.497 -0.990 25124 9242 1 14 . 1 1 33 33 PHE CA C 33 56.504 56.504 58.270 -1.766 25124 9243 1 14 . 1 1 33 33 PHE CB C 33 43.589 43.589 42.396 1.193 25124 9244 1 14 . 1 1 33 33 PHE H H 33 8.834 8.834 8.479 0.355 25124 9245 1 14 . 1 1 34 34 GLU N N 34 118.296 118.296 115.057 3.239 25124 9246 1 14 . 1 1 34 34 GLU HA H 34 4.451 4.451 4.180 0.271 25124 9247 1 14 . 1 1 34 34 GLU C C 34 174.957 174.957 175.908 -0.951 25124 9248 1 14 . 1 1 34 34 GLU CA C 34 56.661 56.661 58.890 -2.229 25124 9249 1 14 . 1 1 34 34 GLU CB C 34 31.792 31.792 28.532 3.260 25124 9250 1 14 . 1 1 34 34 GLU H H 34 9.096 9.096 8.813 0.283 25124 9251 1 14 . 1 1 35 35 ASN N N 35 108.486 108.486 118.656 -10.170 25124 9252 1 14 . 1 1 35 35 ASN HA H 35 4.960 4.960 5.096 -0.136 25124 9253 1 14 . 1 1 35 35 ASN C C 35 175.353 175.353 176.704 -1.351 25124 9254 1 14 . 1 1 35 35 ASN CA C 35 52.364 52.364 51.547 0.817 25124 9255 1 14 . 1 1 35 35 ASN CB C 35 40.932 40.932 39.945 0.987 25124 9256 1 14 . 1 1 35 35 ASN H H 35 7.286 7.286 8.118 -0.832 25124 9257 1 14 . 1 1 36 36 GLY N N 36 105.329 105.329 110.576 -5.247 25124 9258 1 14 . 1 1 36 36 GLY C C 36 174.586 174.586 175.270 -0.684 25124 9259 1 14 . 1 1 36 36 GLY CA C 36 47.533 47.533 47.175 0.358 25124 9260 1 14 . 1 1 36 36 GLY H H 36 9.369 9.369 9.025 0.344 25124 9261 1 14 . 1 1 37 37 ASN N N 37 120.396 120.396 117.761 2.635 25124 9262 1 14 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.296 0.066 25124 9263 1 14 . 1 1 37 37 ASN C C 37 178.791 178.791 177.060 1.731 25124 9264 1 14 . 1 1 37 37 ASN CA C 37 56.843 56.843 55.861 0.982 25124 9265 1 14 . 1 1 37 37 ASN CB C 37 37.716 37.716 38.139 -0.423 25124 9266 1 14 . 1 1 37 37 ASN H H 37 8.440 8.440 8.284 0.156 25124 9267 1 14 . 1 1 38 38 GLU N N 38 119.334 119.334 119.366 -0.032 25124 9268 1 14 . 1 1 38 38 GLU HA H 38 4.058 4.058 4.137 -0.079 25124 9269 1 14 . 1 1 38 38 GLU C C 38 179.372 179.372 178.957 0.415 25124 9270 1 14 . 1 1 38 38 GLU CA C 38 58.790 58.790 59.365 -0.575 25124 9271 1 14 . 1 1 38 38 GLU CB C 38 30.692 30.692 29.918 0.774 25124 9272 1 14 . 1 1 38 38 GLU H H 38 8.063 8.063 8.042 0.021 25124 9273 1 14 . 1 1 39 39 VAL N N 39 119.047 119.047 119.953 -0.906 25124 9274 1 14 . 1 1 39 39 VAL HA H 39 2.599 2.599 2.708 -0.109 25124 9275 1 14 . 1 1 39 39 VAL C C 39 176.807 176.807 177.697 -0.890 25124 9276 1 14 . 1 1 39 39 VAL CA C 39 65.222 65.222 65.481 -0.258 25124 9277 1 14 . 1 1 39 39 VAL CB C 39 31.078 31.078 30.573 0.505 25124 9278 1 14 . 1 1 39 39 VAL H H 39 6.844 6.844 7.315 -0.471 25124 9279 1 14 . 1 1 40 40 LEU N N 40 118.385 118.385 121.850 -3.465 25124 9280 1 14 . 1 1 40 40 LEU HA H 40 3.929 3.929 3.936 -0.007 25124 9281 1 14 . 1 1 40 40 LEU C C 40 179.584 179.584 178.287 1.297 25124 9282 1 14 . 1 1 40 40 LEU CA C 40 57.943 57.943 58.357 -0.414 25124 9283 1 14 . 1 1 40 40 LEU CB C 40 40.932 40.932 40.216 0.716 25124 9284 1 14 . 1 1 40 40 LEU H H 40 7.715 7.715 7.885 -0.170 25124 9285 1 14 . 1 1 41 41 ALA N N 41 120.091 120.091 120.766 -0.675 25124 9286 1 14 . 1 1 41 41 ALA HA H 41 4.158 4.158 3.998 0.160 25124 9287 1 14 . 1 1 41 41 ALA C C 41 180.562 180.562 178.830 1.732 25124 9288 1 14 . 1 1 41 41 ALA CA C 41 54.717 54.717 54.797 -0.080 25124 9289 1 14 . 1 1 41 41 ALA CB C 41 17.853 17.853 18.107 -0.254 25124 9290 1 14 . 1 1 41 41 ALA H H 41 7.671 7.671 7.986 -0.315 25124 9291 1 14 . 1 1 42 42 ALA N N 42 122.650 122.650 119.532 3.118 25124 9292 1 14 . 1 1 42 42 ALA HA H 42 4.221 4.221 4.349 -0.128 25124 9293 1 14 . 1 1 42 42 ALA C C 42 180.166 180.166 179.582 0.584 25124 9294 1 14 . 1 1 42 42 ALA CA C 42 54.974 54.974 54.105 0.869 25124 9295 1 14 . 1 1 42 42 ALA CB C 42 19.488 19.488 18.912 0.576 25124 9296 1 14 . 1 1 42 42 ALA H H 42 7.573 7.573 7.286 0.287 25124 9297 1 14 . 1 1 43 43 LEU N N 43 119.321 119.321 120.608 -1.287 25124 9298 1 14 . 1 1 43 43 LEU HA H 43 5.260 5.260 4.560 0.700 25124 9299 1 14 . 1 1 43 43 LEU C C 43 177.389 177.389 179.389 -2.000 25124 9300 1 14 . 1 1 43 43 LEU CA C 43 55.446 55.446 57.703 -2.257 25124 9301 1 14 . 1 1 43 43 LEU CB C 43 42.879 42.879 42.204 0.675 25124 9302 1 14 . 1 1 43 43 LEU H H 43 8.289 8.289 8.388 -0.099 25124 9303 1 14 . 1 1 44 44 ALA N N 44 118.995 118.995 118.042 0.953 25124 9304 1 14 . 1 1 44 44 ALA HA H 44 4.232 4.232 4.118 0.114 25124 9305 1 14 . 1 1 44 44 ALA C C 44 178.738 178.738 178.435 0.303 25124 9306 1 14 . 1 1 44 44 ALA CA C 44 54.353 54.353 54.337 0.016 25124 9307 1 14 . 1 1 44 44 ALA CB C 44 18.674 18.674 18.782 -0.108 25124 9308 1 14 . 1 1 44 44 ALA H H 44 7.307 7.307 8.013 -0.706 25124 9309 1 14 . 1 1 45 45 SER N N 45 108.530 108.530 112.362 -3.832 25124 9310 1 14 . 1 1 45 45 SER HA H 45 4.761 4.761 4.539 0.222 25124 9311 1 14 . 1 1 45 45 SER C C 45 173.344 173.344 174.740 -1.396 25124 9312 1 14 . 1 1 45 45 SER CA C 45 58.682 58.682 59.650 -0.968 25124 9313 1 14 . 1 1 45 45 SER CB C 45 65.446 65.446 64.355 1.091 25124 9314 1 14 . 1 1 45 45 SER H H 45 7.772 7.772 7.493 0.279 25124 9315 1 14 . 1 1 46 46 LYS N N 46 122.965 122.965 120.055 2.910 25124 9316 1 14 . 1 1 46 46 LYS HA H 46 4.608 4.608 4.629 -0.021 25124 9317 1 14 . 1 1 46 46 LYS C C 46 172.815 172.815 174.380 -1.565 25124 9318 1 14 . 1 1 46 46 LYS CA C 46 55.601 55.601 55.624 -0.023 25124 9319 1 14 . 1 1 46 46 LYS CB C 46 36.399 36.399 35.576 0.823 25124 9320 1 14 . 1 1 46 46 LYS H H 46 8.096 8.096 8.593 -0.497 25124 9321 1 14 . 1 1 47 47 THR N N 47 111.524 111.524 115.505 -3.981 25124 9322 1 14 . 1 1 47 47 THR HA H 47 4.307 4.307 4.499 -0.192 25124 9323 1 14 . 1 1 47 47 THR CA C 47 57.896 57.896 58.884 -0.988 25124 9324 1 14 . 1 1 47 47 THR CB C 47 70.570 70.570 69.031 1.538 25124 9325 1 14 . 1 1 47 47 THR H H 47 7.708 7.708 8.272 -0.564 25124 9326 1 14 . 1 1 48 48 PRO HA H 48 3.944 3.944 3.901 0.043 25124 9327 1 14 . 1 1 48 48 PRO C C 48 173.079 173.079 175.831 -2.752 25124 9328 1 14 . 1 1 48 48 PRO CA C 48 60.922 60.922 61.920 -0.999 25124 9329 1 14 . 1 1 48 48 PRO CB C 48 30.353 30.353 31.987 -1.634 25124 9330 1 14 . 1 1 49 49 ASP N N 49 115.001 115.001 117.126 -2.125 25124 9331 1 14 . 1 1 49 49 ASP HA H 49 4.460 4.460 4.725 -0.265 25124 9332 1 14 . 1 1 49 49 ASP C C 49 175.591 175.591 174.688 0.903 25124 9333 1 14 . 1 1 49 49 ASP CA C 49 56.504 56.504 53.844 2.660 25124 9334 1 14 . 1 1 49 49 ASP CB C 49 42.625 42.625 43.703 -1.078 25124 9335 1 14 . 1 1 49 49 ASP H H 49 8.535 8.535 8.007 0.528 25124 9336 1 14 . 1 1 50 50 VAL N N 50 111.832 111.832 116.347 -4.515 25124 9337 1 14 . 1 1 50 50 VAL HA H 50 4.316 4.316 4.359 -0.043 25124 9338 1 14 . 1 1 50 50 VAL C C 50 171.572 171.572 173.020 -1.448 25124 9339 1 14 . 1 1 50 50 VAL CA C 50 60.398 60.398 61.444 -1.046 25124 9340 1 14 . 1 1 50 50 VAL CB C 50 34.650 34.650 33.211 1.439 25124 9341 1 14 . 1 1 50 50 VAL H H 50 7.194 7.194 7.257 -0.063 25124 9342 1 14 . 1 1 51 51 LEU N N 51 127.785 127.785 128.952 -1.167 25124 9343 1 14 . 1 1 51 51 LEU HA H 51 5.376 5.376 5.523 -0.147 25124 9344 1 14 . 1 1 51 51 LEU C C 51 173.264 173.264 174.614 -1.350 25124 9345 1 14 . 1 1 51 51 LEU CA C 51 53.137 53.137 52.812 0.325 25124 9346 1 14 . 1 1 51 51 LEU CB C 51 46.680 46.680 46.317 0.363 25124 9347 1 14 . 1 1 51 51 LEU H H 51 8.049 8.049 8.299 -0.250 25124 9348 1 14 . 1 1 52 52 LEU N N 52 128.943 128.943 125.050 3.893 25124 9349 1 14 . 1 1 52 52 LEU HA H 52 5.312 5.312 5.055 0.257 25124 9350 1 14 . 1 1 52 52 LEU C C 52 174.692 174.692 176.709 -2.017 25124 9351 1 14 . 1 1 52 52 LEU CA C 52 54.313 54.313 53.556 0.757 25124 9352 1 14 . 1 1 52 52 LEU CB C 52 43.961 43.961 41.150 2.811 25124 9353 1 14 . 1 1 52 52 LEU H H 52 9.278 9.278 8.029 1.249 25124 9354 1 14 . 1 1 53 53 SER N N 53 116.717 116.717 119.325 -2.608 25124 9355 1 14 . 1 1 53 53 SER HA H 53 5.395 5.395 4.214 1.181 25124 9356 1 14 . 1 1 53 53 SER C C 53 173.608 173.608 173.004 0.604 25124 9357 1 14 . 1 1 53 53 SER CA C 53 56.226 56.226 60.156 -3.930 25124 9358 1 14 . 1 1 53 53 SER CB C 53 65.753 65.753 64.157 1.596 25124 9359 1 14 . 1 1 53 53 SER H H 53 9.256 9.256 7.978 1.278 25124 9360 1 14 . 1 1 54 54 ASP N N 54 127.909 127.909 126.131 1.778 25124 9361 1 14 . 1 1 54 54 ASP HA H 54 5.622 5.622 5.467 0.155 25124 9362 1 14 . 1 1 54 54 ASP C C 54 175.723 175.723 175.495 0.228 25124 9363 1 14 . 1 1 54 54 ASP CA C 54 53.268 53.268 52.199 1.069 25124 9364 1 14 . 1 1 54 54 ASP CB C 54 44.386 44.386 43.248 1.138 25124 9365 1 14 . 1 1 54 54 ASP H H 54 8.219 8.219 8.636 -0.417 25124 9366 1 14 . 1 1 55 55 ILE N N 55 117.015 117.015 118.363 -1.348 25124 9367 1 14 . 1 1 55 55 ILE HA H 55 4.116 4.116 4.447 -0.331 25124 9368 1 14 . 1 1 55 55 ILE C C 55 176.913 176.913 174.993 1.920 25124 9369 1 14 . 1 1 55 55 ILE CA C 55 65.290 65.290 59.823 5.467 25124 9370 1 14 . 1 1 55 55 ILE CB C 55 38.487 38.487 36.795 1.692 25124 9371 1 14 . 1 1 55 55 ILE H H 55 7.812 7.812 8.154 -0.342 25124 9372 1 14 . 1 1 56 56 ARG N N 56 117.365 117.365 122.441 -5.076 25124 9373 1 14 . 1 1 56 56 ARG HA H 56 4.379 4.379 4.487 -0.108 25124 9374 1 14 . 1 1 56 56 ARG C C 56 172.788 172.788 173.934 -1.146 25124 9375 1 14 . 1 1 56 56 ARG CA C 56 57.034 57.034 56.317 0.717 25124 9376 1 14 . 1 1 56 56 ARG CB C 56 27.600 27.600 31.505 -3.905 25124 9377 1 14 . 1 1 56 56 ARG H H 56 8.991 8.991 7.991 1.000 25124 9378 1 14 . 1 1 57 57 MET N N 57 129.539 129.539 118.113 11.426 25124 9379 1 14 . 1 1 57 57 MET HA H 57 4.767 4.767 5.043 -0.276 25124 9380 1 14 . 1 1 57 57 MET CA C 57 53.641 53.641 53.195 0.446 25124 9381 1 14 . 1 1 57 57 MET CB C 57 36.484 36.484 33.371 3.113 25124 9382 1 14 . 1 1 57 57 MET H H 57 7.501 7.501 7.907 -0.406 25124 9383 1 14 . 1 1 58 58 PRO HA H 58 4.379 4.379 4.393 -0.014 25124 9384 1 14 . 1 1 58 58 PRO C C 58 177.495 177.495 177.843 -0.348 25124 9385 1 14 . 1 1 58 58 PRO CA C 58 63.104 63.104 63.911 -0.807 25124 9386 1 14 . 1 1 58 58 PRO CB C 58 31.922 31.922 32.237 -0.315 25124 9387 1 14 . 1 1 59 59 GLY N N 59 112.312 112.312 107.392 4.920 25124 9388 1 14 . 1 1 59 59 GLY C C 59 173.793 173.793 174.384 -0.591 25124 9389 1 14 . 1 1 59 59 GLY CA C 59 46.430 46.430 46.420 0.010 25124 9390 1 14 . 1 1 59 59 GLY H H 59 8.656 8.656 8.596 0.060 25124 9391 1 14 . 1 1 60 60 MET N N 60 124.343 124.343 117.696 6.647 25124 9392 1 14 . 1 1 60 60 MET HA H 60 4.344 4.344 4.532 -0.188 25124 9393 1 14 . 1 1 60 60 MET C C 60 174.190 174.190 174.715 -0.525 25124 9394 1 14 . 1 1 60 60 MET CA C 60 55.871 55.871 55.727 0.144 25124 9395 1 14 . 1 1 60 60 MET CB C 60 34.955 34.955 34.200 0.755 25124 9396 1 14 . 1 1 60 60 MET H H 60 7.778 7.778 7.908 -0.130 25124 9397 1 14 . 1 1 61 61 ASP N N 61 124.993 124.993 115.590 9.403 25124 9398 1 14 . 1 1 61 61 ASP HA H 61 4.870 4.870 4.737 0.133 25124 9399 1 14 . 1 1 61 61 ASP C C 61 176.966 176.966 175.000 1.966 25124 9400 1 14 . 1 1 61 61 ASP CA C 61 53.490 53.490 53.717 -0.227 25124 9401 1 14 . 1 1 61 61 ASP CB C 61 42.347 42.347 41.434 0.913 25124 9402 1 14 . 1 1 61 61 ASP H H 61 8.378 8.378 7.800 0.578 25124 9403 1 14 . 1 1 62 62 GLY N N 62 105.163 105.163 105.240 -0.077 25124 9404 1 14 . 1 1 62 62 GLY C C 62 175.935 175.935 175.672 0.263 25124 9405 1 14 . 1 1 62 62 GLY CA C 62 46.755 46.755 45.202 1.553 25124 9406 1 14 . 1 1 62 62 GLY H H 62 10.153 10.153 8.663 1.490 25124 9407 1 14 . 1 1 63 63 LEU N N 63 120.509 120.509 121.550 -1.041 25124 9408 1 14 . 1 1 63 63 LEU HA H 63 4.293 4.293 4.212 0.081 25124 9409 1 14 . 1 1 63 63 LEU C C 63 179.293 179.293 178.075 1.218 25124 9410 1 14 . 1 1 63 63 LEU CA C 63 57.148 57.148 56.632 0.516 25124 9411 1 14 . 1 1 63 63 LEU CB C 63 40.053 40.053 41.973 -1.920 25124 9412 1 14 . 1 1 63 63 LEU H H 63 8.119 8.119 7.930 0.189 25124 9413 1 14 . 1 1 64 64 ALA N N 64 126.234 126.234 122.149 4.085 25124 9414 1 14 . 1 1 64 64 ALA HA H 64 4.112 4.112 4.055 0.057 25124 9415 1 14 . 1 1 64 64 ALA C C 64 181.223 181.223 178.696 2.527 25124 9416 1 14 . 1 1 64 64 ALA CA C 64 54.802 54.802 54.759 0.043 25124 9417 1 14 . 1 1 64 64 ALA CB C 64 18.133 18.133 18.256 -0.123 25124 9418 1 14 . 1 1 64 64 ALA H H 64 8.303 8.303 7.655 0.648 25124 9419 1 14 . 1 1 65 65 LEU N N 65 120.067 120.067 118.104 1.963 25124 9420 1 14 . 1 1 65 65 LEU HA H 65 4.044 4.044 4.239 -0.195 25124 9421 1 14 . 1 1 65 65 LEU C C 65 177.548 177.548 178.753 -1.205 25124 9422 1 14 . 1 1 65 65 LEU CA C 65 58.197 58.197 57.074 1.123 25124 9423 1 14 . 1 1 65 65 LEU CB C 65 41.727 41.727 42.485 -0.758 25124 9424 1 14 . 1 1 65 65 LEU H H 65 8.398 8.398 7.936 0.462 25124 9425 1 14 . 1 1 66 66 LEU N N 66 120.890 120.890 121.019 -0.129 25124 9426 1 14 . 1 1 66 66 LEU HA H 66 3.848 3.848 3.956 -0.108 25124 9427 1 14 . 1 1 66 66 LEU C C 66 177.230 177.230 178.089 -0.859 25124 9428 1 14 . 1 1 66 66 LEU CA C 66 58.736 58.736 57.435 1.301 25124 9429 1 14 . 1 1 66 66 LEU CB C 66 41.803 41.803 41.744 0.059 25124 9430 1 14 . 1 1 66 66 LEU H H 66 8.203 8.203 7.745 0.458 25124 9431 1 14 . 1 1 67 67 LYS N N 67 116.919 116.919 118.466 -1.547 25124 9432 1 14 . 1 1 67 67 LYS HA H 67 4.004 4.004 3.924 0.080 25124 9433 1 14 . 1 1 67 67 LYS C C 67 179.452 179.452 179.016 0.436 25124 9434 1 14 . 1 1 67 67 LYS CA C 67 59.733 59.733 59.030 0.703 25124 9435 1 14 . 1 1 67 67 LYS CB C 67 32.415 32.415 32.108 0.307 25124 9436 1 14 . 1 1 67 67 LYS H H 67 7.667 7.667 7.944 -0.277 25124 9437 1 14 . 1 1 68 68 GLN N N 68 116.851 116.851 118.541 -1.690 25124 9438 1 14 . 1 1 68 68 GLN HA H 68 4.046 4.046 4.064 -0.018 25124 9439 1 14 . 1 1 68 68 GLN C C 68 179.319 179.319 178.258 1.061 25124 9440 1 14 . 1 1 68 68 GLN CA C 68 58.820 58.820 58.898 -0.078 25124 9441 1 14 . 1 1 68 68 GLN CB C 68 28.660 28.660 29.366 -0.706 25124 9442 1 14 . 1 1 68 68 GLN H H 68 7.677 7.677 7.718 -0.041 25124 9443 1 14 . 1 1 69 69 ILE N N 69 120.670 120.670 115.477 5.193 25124 9444 1 14 . 1 1 69 69 ILE HA H 69 3.564 3.564 3.847 -0.283 25124 9445 1 14 . 1 1 69 69 ILE C C 69 177.786 177.786 177.604 0.182 25124 9446 1 14 . 1 1 69 69 ILE CA C 69 65.381 65.381 64.088 1.293 25124 9447 1 14 . 1 1 69 69 ILE CB C 69 37.186 37.186 37.428 -0.242 25124 9448 1 14 . 1 1 69 69 ILE H H 69 8.918 8.918 7.390 1.528 25124 9449 1 14 . 1 1 70 70 LYS N N 70 118.002 118.002 117.415 0.587 25124 9450 1 14 . 1 1 70 70 LYS HA H 70 3.936 3.936 4.161 -0.225 25124 9451 1 14 . 1 1 70 70 LYS C C 70 177.944 177.944 178.203 -0.259 25124 9452 1 14 . 1 1 70 70 LYS CA C 70 57.351 57.351 57.661 -0.310 25124 9453 1 14 . 1 1 70 70 LYS CB C 70 31.440 31.440 32.323 -0.883 25124 9454 1 14 . 1 1 70 70 LYS H H 70 8.592 8.592 7.987 0.605 25124 9455 1 14 . 1 1 71 71 GLN N N 71 114.891 114.891 117.847 -2.956 25124 9456 1 14 . 1 1 71 71 GLN HA H 71 4.063 4.063 4.216 -0.153 25124 9457 1 14 . 1 1 71 71 GLN C C 71 177.019 177.019 178.142 -1.123 25124 9458 1 14 . 1 1 71 71 GLN CA C 71 58.007 58.007 57.169 0.838 25124 9459 1 14 . 1 1 71 71 GLN CB C 71 29.168 29.168 29.474 -0.306 25124 9460 1 14 . 1 1 71 71 GLN H H 71 7.266 7.266 7.492 -0.226 25124 9461 1 14 . 1 1 72 72 ARG N N 72 116.364 116.364 119.387 -3.023 25124 9462 1 14 . 1 1 72 72 ARG HA H 72 4.130 4.130 3.953 0.177 25124 9463 1 14 . 1 1 72 72 ARG C C 72 175.803 175.803 175.618 0.185 25124 9464 1 14 . 1 1 72 72 ARG CA C 72 57.174 57.174 58.180 -1.006 25124 9465 1 14 . 1 1 72 72 ARG CB C 72 32.638 32.638 30.453 2.185 25124 9466 1 14 . 1 1 72 72 ARG H H 72 7.254 7.254 8.122 -0.868 25124 9467 1 14 . 1 1 73 73 HIS N N 73 116.981 116.981 109.873 7.108 25124 9468 1 14 . 1 1 73 73 HIS HA H 73 4.994 4.994 4.881 0.113 25124 9469 1 14 . 1 1 73 73 HIS CA C 73 53.252 53.252 53.309 -0.057 25124 9470 1 14 . 1 1 73 73 HIS CB C 73 31.026 31.026 29.565 1.461 25124 9471 1 14 . 1 1 73 73 HIS H H 73 8.828 8.828 7.177 1.651 25124 9472 1 14 . 1 1 74 74 PRO HA H 74 4.435 4.435 4.506 -0.071 25124 9473 1 14 . 1 1 74 74 PRO C C 74 178.156 178.156 177.560 0.596 25124 9474 1 14 . 1 1 74 74 PRO CA C 74 65.284 65.284 64.040 1.244 25124 9475 1 14 . 1 1 74 74 PRO CB C 74 32.130 32.130 31.888 0.242 25124 9476 1 14 . 1 1 75 75 MET N N 75 114.676 114.676 117.192 -2.516 25124 9477 1 14 . 1 1 75 75 MET HA H 75 4.587 4.587 4.367 0.220 25124 9478 1 14 . 1 1 75 75 MET C C 75 176.067 176.067 175.686 0.381 25124 9479 1 14 . 1 1 75 75 MET CA C 75 54.304 54.304 56.254 -1.950 25124 9480 1 14 . 1 1 75 75 MET CB C 75 31.623 31.623 32.758 -1.135 25124 9481 1 14 . 1 1 75 75 MET H H 75 8.648 8.648 7.949 0.699 25124 9482 1 14 . 1 1 76 76 LEU N N 76 125.720 125.720 119.107 6.613 25124 9483 1 14 . 1 1 76 76 LEU HA H 76 4.293 4.293 4.351 -0.058 25124 9484 1 14 . 1 1 76 76 LEU CA C 76 53.472 53.472 52.171 1.301 25124 9485 1 14 . 1 1 76 76 LEU CB C 76 43.540 43.540 41.614 1.926 25124 9486 1 14 . 1 1 76 76 LEU H H 76 7.342 7.342 7.362 -0.020 25124 9487 1 14 . 1 1 77 77 PRO HA H 77 4.440 4.440 4.416 0.024 25124 9488 1 14 . 1 1 77 77 PRO C C 77 175.062 175.062 175.458 -0.396 25124 9489 1 14 . 1 1 77 77 PRO CA C 77 62.841 62.841 62.832 0.009 25124 9490 1 14 . 1 1 77 77 PRO CB C 77 31.903 31.903 31.881 0.022 25124 9491 1 14 . 1 1 78 78 VAL N N 78 123.116 123.116 123.433 -0.317 25124 9492 1 14 . 1 1 78 78 VAL HA H 78 5.093 5.093 4.299 0.794 25124 9493 1 14 . 1 1 78 78 VAL C C 78 175.776 175.776 174.790 0.986 25124 9494 1 14 . 1 1 78 78 VAL CA C 78 60.083 60.083 61.413 -1.330 25124 9495 1 14 . 1 1 78 78 VAL CB C 78 34.245 34.245 35.090 -0.845 25124 9496 1 14 . 1 1 78 78 VAL H H 78 8.369 8.369 8.204 0.165 25124 9497 1 14 . 1 1 79 79 ILE N N 79 129.166 129.166 123.954 5.212 25124 9498 1 14 . 1 1 79 79 ILE HA H 79 4.499 4.499 4.554 -0.055 25124 9499 1 14 . 1 1 79 79 ILE C C 79 174.295 174.295 174.633 -0.338 25124 9500 1 14 . 1 1 79 79 ILE CA C 79 60.030 60.030 59.792 0.238 25124 9501 1 14 . 1 1 79 79 ILE CB C 79 40.222 40.222 41.447 -1.225 25124 9502 1 14 . 1 1 79 79 ILE H H 79 9.436 9.436 8.118 1.318 25124 9503 1 14 . 1 1 80 80 ILE N N 80 128.234 128.234 125.123 3.111 25124 9504 1 14 . 1 1 80 80 ILE HA H 80 5.253 5.253 4.332 0.921 25124 9505 1 14 . 1 1 80 80 ILE C C 80 173.449 173.449 174.407 -0.958 25124 9506 1 14 . 1 1 80 80 ILE CA C 80 56.265 56.265 60.119 -3.854 25124 9507 1 14 . 1 1 80 80 ILE CB C 80 38.176 38.176 37.838 0.338 25124 9508 1 14 . 1 1 80 80 ILE H H 80 7.920 7.920 8.197 -0.277 25124 9509 1 14 . 1 1 81 81 MET N N 81 124.079 124.079 128.646 -4.567 25124 9510 1 14 . 1 1 81 81 MET HA H 81 5.489 5.489 4.777 0.712 25124 9511 1 14 . 1 1 81 81 MET C C 81 173.820 173.820 173.756 0.064 25124 9512 1 14 . 1 1 81 81 MET CA C 81 52.889 52.889 54.428 -1.540 25124 9513 1 14 . 1 1 81 81 MET CB C 81 36.663 36.663 35.214 1.450 25124 9514 1 14 . 1 1 81 81 MET H H 81 9.028 9.028 8.899 0.129 25124 9515 1 14 . 1 1 82 82 THR N N 82 108.434 108.434 118.535 -10.101 25124 9516 1 14 . 1 1 82 82 THR HA H 82 5.134 5.134 4.529 0.605 25124 9517 1 14 . 1 1 82 82 THR C C 82 172.550 172.550 171.874 0.676 25124 9518 1 14 . 1 1 82 82 THR CA C 82 60.642 60.642 61.285 -0.643 25124 9519 1 14 . 1 1 82 82 THR CB C 82 68.843 68.843 70.797 -1.954 25124 9520 1 14 . 1 1 82 82 THR H H 82 7.098 7.098 8.272 -1.174 25124 9521 1 14 . 1 1 83 83 ALA N N 83 128.991 128.991 123.495 5.496 25124 9522 1 14 . 1 1 83 83 ALA HA H 83 4.678 4.678 4.857 -0.179 25124 9523 1 14 . 1 1 83 83 ALA C C 83 177.812 177.812 176.819 0.993 25124 9524 1 14 . 1 1 83 83 ALA CA C 83 52.457 52.457 50.397 2.060 25124 9525 1 14 . 1 1 83 83 ALA CB C 83 19.396 19.396 20.985 -1.589 25124 9526 1 14 . 1 1 83 83 ALA H H 83 8.590 8.590 8.445 0.145 25124 9527 1 14 . 1 1 84 84 HIS N N 84 121.904 121.904 114.840 7.064 25124 9528 1 14 . 1 1 84 84 HIS HA H 84 4.576 4.576 4.257 0.319 25124 9529 1 14 . 1 1 84 84 HIS C C 84 175.512 175.512 175.994 -0.482 25124 9530 1 14 . 1 1 84 84 HIS CA C 84 56.674 56.674 58.088 -1.414 25124 9531 1 14 . 1 1 84 84 HIS CB C 84 29.589 29.589 29.478 0.111 25124 9532 1 14 . 1 1 84 84 HIS H H 84 8.865 8.865 8.881 -0.016 25124 9533 1 14 . 1 1 85 85 SER N N 85 114.679 114.679 115.711 -1.032 25124 9534 1 14 . 1 1 85 85 SER HA H 85 4.303 4.303 4.009 0.294 25124 9535 1 14 . 1 1 85 85 SER C C 85 174.560 174.560 174.163 0.397 25124 9536 1 14 . 1 1 85 85 SER CA C 85 58.970 58.970 59.811 -0.841 25124 9537 1 14 . 1 1 85 85 SER CB C 85 62.829 62.829 63.137 -0.308 25124 9538 1 14 . 1 1 85 85 SER H H 85 8.016 8.016 7.699 0.317 25124 9539 1 14 . 1 1 86 86 ASP N N 86 122.325 122.325 119.599 2.726 25124 9540 1 14 . 1 1 86 86 ASP HA H 86 4.761 4.761 4.412 0.349 25124 9541 1 14 . 1 1 86 86 ASP C C 86 176.094 176.094 177.626 -1.532 25124 9542 1 14 . 1 1 86 86 ASP CA C 86 53.627 53.627 56.021 -2.394 25124 9543 1 14 . 1 1 86 86 ASP CB C 86 40.942 40.942 40.070 0.872 25124 9544 1 14 . 1 1 86 86 ASP H H 86 8.054 8.054 8.648 -0.594 25124 9545 1 14 . 1 1 87 87 LEU N N 87 122.041 122.041 120.028 2.013 25124 9546 1 14 . 1 1 87 87 LEU HA H 87 4.069 4.069 4.002 0.067 25124 9547 1 14 . 1 1 87 87 LEU C C 87 177.892 177.892 177.145 0.747 25124 9548 1 14 . 1 1 87 87 LEU CA C 87 57.182 57.182 57.333 -0.151 25124 9549 1 14 . 1 1 87 87 LEU CB C 87 42.015 42.015 41.703 0.312 25124 9550 1 14 . 1 1 87 87 LEU H H 87 8.005 8.005 7.480 0.525 25124 9551 1 14 . 1 1 88 88 ASP N N 88 118.050 118.050 119.790 -1.740 25124 9552 1 14 . 1 1 88 88 ASP HA H 88 4.370 4.370 4.220 0.150 25124 9553 1 14 . 1 1 88 88 ASP C C 88 178.103 178.103 177.593 0.510 25124 9554 1 14 . 1 1 88 88 ASP CA C 88 56.342 56.342 56.846 -0.504 25124 9555 1 14 . 1 1 88 88 ASP CB C 88 40.280 40.280 39.552 0.728 25124 9556 1 14 . 1 1 88 88 ASP H H 88 8.243 8.243 8.473 -0.230 25124 9557 1 14 . 1 1 89 89 ALA N N 89 122.780 122.780 121.157 1.623 25124 9558 1 14 . 1 1 89 89 ALA HA H 89 4.038 4.038 4.083 -0.045 25124 9559 1 14 . 1 1 89 89 ALA C C 89 178.526 178.526 179.190 -0.664 25124 9560 1 14 . 1 1 89 89 ALA CA C 89 54.655 54.655 54.129 0.526 25124 9561 1 14 . 1 1 89 89 ALA CB C 89 18.809 18.809 18.330 0.479 25124 9562 1 14 . 1 1 89 89 ALA H H 89 7.890 7.890 7.768 0.122 25124 9563 1 14 . 1 1 90 90 ALA N N 90 120.040 120.040 121.187 -1.147 25124 9564 1 14 . 1 1 90 90 ALA HA H 90 3.254 3.254 3.832 -0.578 25124 9565 1 14 . 1 1 90 90 ALA C C 90 178.976 178.976 179.531 -0.555 25124 9566 1 14 . 1 1 90 90 ALA CA C 90 55.050 55.050 54.883 0.167 25124 9567 1 14 . 1 1 90 90 ALA CB C 90 17.725 17.725 17.948 -0.223 25124 9568 1 14 . 1 1 90 90 ALA H H 90 7.513 7.513 8.001 -0.488 25124 9569 1 14 . 1 1 91 91 VAL N N 91 116.635 116.635 117.814 -1.179 25124 9570 1 14 . 1 1 91 91 VAL HA H 91 3.637 3.637 3.715 -0.078 25124 9571 1 14 . 1 1 91 91 VAL C C 91 178.632 178.632 178.159 0.473 25124 9572 1 14 . 1 1 91 91 VAL CA C 91 65.971 65.971 66.234 -0.263 25124 9573 1 14 . 1 1 91 91 VAL CB C 91 31.623 31.623 31.584 0.039 25124 9574 1 14 . 1 1 91 91 VAL H H 91 7.877 7.877 7.497 0.380 25124 9575 1 14 . 1 1 92 92 SER N N 92 115.439 115.439 114.802 0.637 25124 9576 1 14 . 1 1 92 92 SER HA H 92 4.215 4.215 4.116 0.099 25124 9577 1 14 . 1 1 92 92 SER C C 92 175.961 175.961 176.180 -0.219 25124 9578 1 14 . 1 1 92 92 SER CA C 92 61.401 61.401 61.587 -0.187 25124 9579 1 14 . 1 1 92 92 SER CB C 92 62.966 62.966 62.891 0.075 25124 9580 1 14 . 1 1 92 92 SER H H 92 7.912 7.912 7.788 0.124 25124 9581 1 14 . 1 1 93 93 ALA N N 93 122.647 122.647 123.591 -0.944 25124 9582 1 14 . 1 1 93 93 ALA HA H 93 3.786 3.786 4.027 -0.241 25124 9583 1 14 . 1 1 93 93 ALA C C 93 179.293 179.293 179.655 -0.362 25124 9584 1 14 . 1 1 93 93 ALA CA C 93 55.172 55.172 54.923 0.249 25124 9585 1 14 . 1 1 93 93 ALA CB C 93 17.161 17.161 17.994 -0.833 25124 9586 1 14 . 1 1 93 93 ALA H H 93 8.199 8.199 8.060 0.139 25124 9587 1 14 . 1 1 94 94 TYR N N 94 117.796 117.796 118.187 -0.391 25124 9588 1 14 . 1 1 94 94 TYR HA H 94 4.283 4.283 4.249 0.034 25124 9589 1 14 . 1 1 94 94 TYR C C 94 179.954 179.954 178.310 1.644 25124 9590 1 14 . 1 1 94 94 TYR CA C 94 61.216 61.216 61.404 -0.188 25124 9591 1 14 . 1 1 94 94 TYR CB C 94 37.716 37.716 37.840 -0.124 25124 9592 1 14 . 1 1 94 94 TYR H H 94 8.065 8.065 7.548 0.517 25124 9593 1 14 . 1 1 95 95 GLN N N 95 120.057 120.057 118.324 1.733 25124 9594 1 14 . 1 1 95 95 GLN HA H 95 4.005 4.005 4.028 -0.023 25124 9595 1 14 . 1 1 95 95 GLN C C 95 177.680 177.680 178.162 -0.482 25124 9596 1 14 . 1 1 95 95 GLN CA C 95 58.471 58.471 58.650 -0.179 25124 9597 1 14 . 1 1 95 95 GLN CB C 95 28.334 28.334 28.681 -0.347 25124 9598 1 14 . 1 1 95 95 GLN H H 95 8.513 8.513 7.583 0.930 25124 9599 1 14 . 1 1 96 96 GLN N N 96 115.323 115.323 116.208 -0.885 25124 9600 1 14 . 1 1 96 96 GLN HA H 96 4.321 4.321 4.251 0.070 25124 9601 1 14 . 1 1 96 96 GLN C C 96 175.538 175.538 177.005 -1.467 25124 9602 1 14 . 1 1 96 96 GLN CA C 96 55.379 55.379 56.401 -1.022 25124 9603 1 14 . 1 1 96 96 GLN CB C 96 28.915 28.915 29.680 -0.765 25124 9604 1 14 . 1 1 96 96 GLN H H 96 7.774 7.774 7.699 0.075 25124 9605 1 14 . 1 1 97 97 GLY N N 97 104.173 104.173 107.901 -3.728 25124 9606 1 14 . 1 1 97 97 GLY C C 97 175.168 175.168 174.036 1.132 25124 9607 1 14 . 1 1 97 97 GLY CA C 97 45.491 45.491 44.536 0.955 25124 9608 1 14 . 1 1 97 97 GLY H H 97 7.576 7.576 7.454 0.122 25124 9609 1 14 . 1 1 98 98 ALA N N 98 123.484 123.484 120.574 2.910 25124 9610 1 14 . 1 1 98 98 ALA HA H 98 4.266 4.266 4.130 0.136 25124 9611 1 14 . 1 1 98 98 ALA C C 98 176.067 176.067 176.631 -0.564 25124 9612 1 14 . 1 1 98 98 ALA CA C 98 53.008 53.008 52.550 0.458 25124 9613 1 14 . 1 1 98 98 ALA CB C 98 18.556 18.556 19.758 -1.202 25124 9614 1 14 . 1 1 98 98 ALA H H 98 8.358 8.358 7.573 0.785 25124 9615 1 14 . 1 1 99 99 PHE N N 99 123.551 123.551 120.896 2.655 25124 9616 1 14 . 1 1 99 99 PHE HA H 99 4.259 4.259 4.481 -0.222 25124 9617 1 14 . 1 1 99 99 PHE C C 99 175.432 175.432 175.657 -0.225 25124 9618 1 14 . 1 1 99 99 PHE CA C 99 60.274 60.274 59.436 0.838 25124 9619 1 14 . 1 1 99 99 PHE CB C 99 40.375 40.375 40.364 0.011 25124 9620 1 14 . 1 1 99 99 PHE H H 99 9.477 9.477 8.397 1.080 25124 9621 1 14 . 1 1 100 100 ASP N N 100 110.678 110.678 114.406 -3.728 25124 9622 1 14 . 1 1 100 100 ASP HA H 100 4.547 4.547 4.854 -0.307 25124 9623 1 14 . 1 1 100 100 ASP C C 100 173.053 173.053 173.751 -0.698 25124 9624 1 14 . 1 1 100 100 ASP CA C 100 52.527 52.527 53.889 -1.362 25124 9625 1 14 . 1 1 100 100 ASP CB C 100 44.789 44.789 44.170 0.619 25124 9626 1 14 . 1 1 100 100 ASP H H 100 7.683 7.683 8.005 -0.322 25124 9627 1 14 . 1 1 101 101 TYR N N 101 122.174 122.174 121.244 0.930 25124 9628 1 14 . 1 1 101 101 TYR HA H 101 5.425 5.425 5.275 0.150 25124 9629 1 14 . 1 1 101 101 TYR C C 101 172.550 172.550 174.525 -1.975 25124 9630 1 14 . 1 1 101 101 TYR CA C 101 55.865 55.865 56.267 -0.402 25124 9631 1 14 . 1 1 101 101 TYR CB C 101 41.760 41.760 39.841 1.919 25124 9632 1 14 . 1 1 101 101 TYR H H 101 9.874 9.874 8.672 1.202 25124 9633 1 14 . 1 1 102 102 LEU N N 102 129.337 129.337 130.770 -1.433 25124 9634 1 14 . 1 1 102 102 LEU HA H 102 4.677 4.677 4.609 0.068 25124 9635 1 14 . 1 1 102 102 LEU CA C 102 50.418 50.418 50.995 -0.577 25124 9636 1 14 . 1 1 102 102 LEU CB C 102 45.066 45.066 42.514 2.552 25124 9637 1 14 . 1 1 102 102 LEU H H 102 8.974 8.974 8.077 0.897 25124 9638 1 14 . 1 1 103 103 PRO HA H 103 4.552 4.552 4.426 0.126 25124 9639 1 14 . 1 1 103 103 PRO C C 103 176.067 176.067 175.642 0.425 25124 9640 1 14 . 1 1 103 103 PRO CA C 103 61.951 61.951 62.204 -0.253 25124 9641 1 14 . 1 1 103 103 PRO CB C 103 31.829 31.829 32.546 -0.717 25124 9642 1 14 . 1 1 104 104 LYS N N 104 118.403 118.403 120.915 -2.512 25124 9643 1 14 . 1 1 104 104 LYS HA H 104 4.459 4.459 4.960 -0.501 25124 9644 1 14 . 1 1 104 104 LYS CA C 104 53.204 53.204 53.680 -0.476 25124 9645 1 14 . 1 1 104 104 LYS CB C 104 34.500 34.500 31.601 2.900 25124 9646 1 14 . 1 1 104 104 LYS H H 104 8.013 8.013 8.119 -0.106 25124 9647 1 14 . 1 1 105 105 PRO HA H 105 4.258 4.258 4.551 -0.293 25124 9648 1 14 . 1 1 105 105 PRO C C 105 174.930 174.930 175.918 -0.988 25124 9649 1 14 . 1 1 105 105 PRO CA C 105 62.213 62.213 63.115 -0.902 25124 9650 1 14 . 1 1 105 105 PRO CB C 105 34.151 34.151 32.061 2.090 25124 9651 1 14 . 1 1 106 106 PHE N N 106 116.796 116.796 118.657 -1.861 25124 9652 1 14 . 1 1 106 106 PHE HA H 106 5.169 5.169 4.794 0.375 25124 9653 1 14 . 1 1 106 106 PHE C C 106 175.194 175.194 174.510 0.684 25124 9654 1 14 . 1 1 106 106 PHE CA C 106 53.244 53.244 55.978 -2.734 25124 9655 1 14 . 1 1 106 106 PHE CB C 106 40.477 40.477 41.145 -0.668 25124 9656 1 14 . 1 1 106 106 PHE H H 106 7.399 7.399 7.692 -0.293 25124 9657 1 14 . 1 1 107 107 ASP N N 107 122.212 122.212 123.696 -1.484 25124 9658 1 14 . 1 1 107 107 ASP HA H 107 4.823 4.823 4.812 0.011 25124 9659 1 14 . 1 1 107 107 ASP C C 107 177.812 177.812 177.249 0.563 25124 9660 1 14 . 1 1 107 107 ASP CA C 107 53.392 53.392 53.677 -0.285 25124 9661 1 14 . 1 1 107 107 ASP CB C 107 42.455 42.455 42.051 0.404 25124 9662 1 14 . 1 1 107 107 ASP H H 107 9.047 9.047 8.628 0.419 25124 9663 1 14 . 1 1 108 108 ILE N N 108 127.963 127.963 123.800 4.163 25124 9664 1 14 . 1 1 108 108 ILE HA H 108 3.949 3.949 3.941 0.008 25124 9665 1 14 . 1 1 108 108 ILE C C 108 176.226 176.226 176.898 -0.672 25124 9666 1 14 . 1 1 108 108 ILE CA C 108 63.105 63.105 64.125 -1.020 25124 9667 1 14 . 1 1 108 108 ILE CB C 108 37.665 37.665 37.350 0.315 25124 9668 1 14 . 1 1 108 108 ILE H H 108 8.898 8.898 8.508 0.390 25124 9669 1 14 . 1 1 109 109 ASP N N 109 119.804 119.804 121.105 -1.301 25124 9670 1 14 . 1 1 109 109 ASP HA H 109 4.393 4.393 4.319 0.074 25124 9671 1 14 . 1 1 109 109 ASP C C 109 179.848 179.848 178.933 0.915 25124 9672 1 14 . 1 1 109 109 ASP CA C 109 57.483 57.483 57.764 -0.280 25124 9673 1 14 . 1 1 109 109 ASP CB C 109 39.986 39.986 40.488 -0.502 25124 9674 1 14 . 1 1 109 109 ASP H H 109 8.098 8.098 8.518 -0.420 25124 9675 1 14 . 1 1 110 110 GLU N N 110 121.667 121.667 118.751 2.916 25124 9676 1 14 . 1 1 110 110 GLU HA H 110 4.085 4.085 4.304 -0.219 25124 9677 1 14 . 1 1 110 110 GLU C C 110 178.976 178.976 178.453 0.523 25124 9678 1 14 . 1 1 110 110 GLU CA C 110 58.790 58.790 58.095 0.695 25124 9679 1 14 . 1 1 110 110 GLU CB C 110 29.330 29.330 30.081 -0.751 25124 9680 1 14 . 1 1 110 110 GLU H H 110 8.059 8.059 8.292 -0.233 25124 9681 1 14 . 1 1 111 111 ALA N N 111 122.208 122.208 123.669 -1.461 25124 9682 1 14 . 1 1 111 111 ALA HA H 111 3.758 3.758 4.146 -0.388 25124 9683 1 14 . 1 1 111 111 ALA C C 111 178.605 178.605 179.463 -0.858 25124 9684 1 14 . 1 1 111 111 ALA CA C 111 55.320 55.320 55.224 0.096 25124 9685 1 14 . 1 1 111 111 ALA CB C 111 18.174 18.174 18.528 -0.354 25124 9686 1 14 . 1 1 111 111 ALA H H 111 7.903 7.903 7.502 0.401 25124 9687 1 14 . 1 1 112 112 VAL N N 112 116.429 116.429 118.196 -1.767 25124 9688 1 14 . 1 1 112 112 VAL HA H 112 3.194 3.194 3.578 -0.384 25124 9689 1 14 . 1 1 112 112 VAL C C 112 177.230 177.230 177.840 -0.610 25124 9690 1 14 . 1 1 112 112 VAL CA C 112 67.154 67.154 66.785 0.369 25124 9691 1 14 . 1 1 112 112 VAL CB C 112 31.538 31.538 31.596 -0.058 25124 9692 1 14 . 1 1 112 112 VAL H H 112 8.032 8.032 8.532 -0.500 25124 9693 1 14 . 1 1 113 113 ALA N N 113 120.198 120.198 120.494 -0.296 25124 9694 1 14 . 1 1 113 113 ALA HA H 113 4.159 4.159 4.273 -0.114 25124 9695 1 14 . 1 1 113 113 ALA C C 113 180.589 180.589 179.199 1.390 25124 9696 1 14 . 1 1 113 113 ALA CA C 113 54.902 54.902 54.330 0.572 25124 9697 1 14 . 1 1 113 113 ALA CB C 113 17.980 17.980 18.776 -0.796 25124 9698 1 14 . 1 1 113 113 ALA H H 113 7.723 7.723 7.612 0.111 25124 9699 1 14 . 1 1 114 114 LEU N N 114 120.742 120.742 120.227 0.515 25124 9700 1 14 . 1 1 114 114 LEU HA H 114 4.102 4.102 4.244 -0.142 25124 9701 1 14 . 1 1 114 114 LEU C C 114 178.605 178.605 178.282 0.323 25124 9702 1 14 . 1 1 114 114 LEU CA C 114 58.181 58.181 57.328 0.853 25124 9703 1 14 . 1 1 114 114 LEU CB C 114 42.032 42.032 42.098 -0.066 25124 9704 1 14 . 1 1 114 114 LEU H H 114 7.928 7.928 7.692 0.236 25124 9705 1 14 . 1 1 115 115 VAL N N 115 119.478 119.478 119.488 -0.010 25124 9706 1 14 . 1 1 115 115 VAL HA H 115 3.250 3.250 3.590 -0.340 25124 9707 1 14 . 1 1 115 115 VAL C C 115 177.548 177.548 178.109 -0.561 25124 9708 1 14 . 1 1 115 115 VAL CA C 115 67.168 67.168 66.132 1.036 25124 9709 1 14 . 1 1 115 115 VAL CB C 115 30.760 30.760 30.913 -0.153 25124 9710 1 14 . 1 1 115 115 VAL H H 115 7.846 7.846 8.295 -0.449 25124 9711 1 14 . 1 1 116 116 GLU N N 116 117.570 117.570 117.349 0.221 25124 9712 1 14 . 1 1 116 116 GLU HA H 116 3.809 3.809 4.085 -0.276 25124 9713 1 14 . 1 1 116 116 GLU C C 116 179.557 179.557 178.940 0.617 25124 9714 1 14 . 1 1 116 116 GLU CA C 116 59.974 59.974 58.617 1.357 25124 9715 1 14 . 1 1 116 116 GLU CB C 116 29.084 29.084 29.114 -0.030 25124 9716 1 14 . 1 1 116 116 GLU H H 116 8.462 8.462 8.003 0.459 25124 9717 1 14 . 1 1 117 117 ARG N N 117 120.263 120.263 120.079 0.184 25124 9718 1 14 . 1 1 117 117 ARG HA H 117 4.109 4.109 4.114 -0.005 25124 9719 1 14 . 1 1 117 117 ARG C C 117 178.500 178.500 178.365 0.135 25124 9720 1 14 . 1 1 117 117 ARG CA C 117 59.411 59.411 59.543 -0.132 25124 9721 1 14 . 1 1 117 117 ARG CB C 117 30.414 30.414 30.218 0.196 25124 9722 1 14 . 1 1 117 117 ARG H H 117 8.090 8.090 7.569 0.521 25124 9723 1 14 . 1 1 118 118 ALA N N 118 122.157 122.157 120.157 2.000 25124 9724 1 14 . 1 1 118 118 ALA HA H 118 3.467 3.467 4.270 -0.803 25124 9725 1 14 . 1 1 118 118 ALA C C 118 178.632 178.632 179.570 -0.938 25124 9726 1 14 . 1 1 118 118 ALA CA C 118 54.739 54.739 54.067 0.672 25124 9727 1 14 . 1 1 118 118 ALA CB C 118 18.280 18.280 18.389 -0.109 25124 9728 1 14 . 1 1 118 118 ALA H H 118 8.005 8.005 7.137 0.868 25124 9729 1 14 . 1 1 119 119 ILE N N 119 115.429 115.429 119.646 -4.217 25124 9730 1 14 . 1 1 119 119 ILE HA H 119 3.706 3.706 3.794 -0.088 25124 9731 1 14 . 1 1 119 119 ILE C C 119 177.442 177.442 178.762 -1.320 25124 9732 1 14 . 1 1 119 119 ILE CA C 119 63.910 63.910 64.659 -0.749 25124 9733 1 14 . 1 1 119 119 ILE CB C 119 37.939 37.939 37.566 0.373 25124 9734 1 14 . 1 1 119 119 ILE H H 119 7.788 7.788 7.625 0.163 25124 9735 1 14 . 1 1 120 120 SER N N 120 114.902 114.902 115.762 -0.860 25124 9736 1 14 . 1 1 120 120 SER HA H 120 4.285 4.285 4.093 0.192 25124 9737 1 14 . 1 1 120 120 SER C C 120 175.142 175.142 176.306 -1.164 25124 9738 1 14 . 1 1 120 120 SER CA C 120 59.871 59.871 61.525 -1.654 25124 9739 1 14 . 1 1 120 120 SER CB C 120 63.522 63.522 63.093 0.429 25124 9740 1 14 . 1 1 120 120 SER H H 120 7.881 7.881 8.562 -0.681 25124 9741 1 14 . 1 1 121 121 HIS N N 121 119.927 119.927 121.363 -1.436 25124 9742 1 14 . 1 1 121 121 HIS HA H 121 4.439 4.439 4.219 0.220 25124 9743 1 14 . 1 1 121 121 HIS C C 121 174.957 174.957 175.695 -0.738 25124 9744 1 14 . 1 1 121 121 HIS CA C 121 57.362 57.362 58.494 -1.132 25124 9745 1 14 . 1 1 121 121 HIS CB C 121 29.496 29.496 29.880 -0.384 25124 9746 1 14 . 1 1 121 121 HIS H H 121 7.960 7.960 7.980 -0.020 25124 9747 1 14 . 1 1 122 122 TYR N N 122 118.745 118.745 117.321 1.424 25124 9748 1 14 . 1 1 122 122 TYR HA H 122 4.455 4.455 4.730 -0.275 25124 9749 1 14 . 1 1 122 122 TYR C C 122 175.353 175.353 175.419 -0.066 25124 9750 1 14 . 1 1 122 122 TYR CA C 122 58.528 58.528 57.266 1.262 25124 9751 1 14 . 1 1 122 122 TYR CB C 122 38.726 38.726 37.623 1.103 25124 9752 1 14 . 1 1 122 122 TYR H H 122 7.776 7.776 7.583 0.193 25124 9753 1 14 . 1 1 123 123 GLN N N 123 121.424 121.424 121.650 -0.226 25124 9754 1 14 . 1 1 123 123 GLN HA H 123 4.294 4.294 4.090 0.204 25124 9755 1 14 . 1 1 123 123 GLN C C 123 174.560 174.560 175.134 -0.574 25124 9756 1 14 . 1 1 123 123 GLN CA C 123 55.658 55.658 57.231 -1.573 25124 9757 1 14 . 1 1 123 123 GLN CB C 123 29.877 29.877 29.584 0.293 25124 9758 1 14 . 1 1 123 123 GLN H H 123 7.904 7.904 7.843 0.061 25124 9759 1 15 . 1 1 2 2 GLN HA H 2 4.453 4.453 4.914 -0.461 25124 9760 1 15 . 1 1 2 2 GLN C C 2 174.930 174.930 174.685 0.245 25124 9761 1 15 . 1 1 2 2 GLN CA C 2 55.627 55.627 55.113 0.514 25124 9762 1 15 . 1 1 2 2 GLN CB C 2 29.312 29.312 28.099 1.214 25124 9763 1 15 . 1 1 3 3 ARG N N 3 121.349 121.349 121.238 0.111 25124 9764 1 15 . 1 1 3 3 ARG HA H 3 4.390 4.390 4.457 -0.067 25124 9765 1 15 . 1 1 3 3 ARG C C 3 175.723 175.723 174.019 1.704 25124 9766 1 15 . 1 1 3 3 ARG CA C 3 56.041 56.041 56.269 -0.228 25124 9767 1 15 . 1 1 3 3 ARG CB C 3 31.395 31.395 32.422 -1.027 25124 9768 1 15 . 1 1 3 3 ARG H H 3 8.451 8.451 7.785 0.666 25124 9769 1 15 . 1 1 4 4 GLY N N 4 107.889 107.889 107.737 0.152 25124 9770 1 15 . 1 1 4 4 GLY C C 4 171.122 171.122 172.610 -1.488 25124 9771 1 15 . 1 1 4 4 GLY CA C 4 45.333 45.333 44.706 0.626 25124 9772 1 15 . 1 1 4 4 GLY H H 4 8.037 8.037 8.389 -0.352 25124 9773 1 15 . 1 1 5 5 ILE N N 5 122.674 122.674 121.244 1.430 25124 9774 1 15 . 1 1 5 5 ILE HA H 5 4.731 4.731 3.991 0.740 25124 9775 1 15 . 1 1 5 5 ILE C C 5 175.459 175.459 175.023 0.436 25124 9776 1 15 . 1 1 5 5 ILE CA C 5 60.614 60.614 62.542 -1.928 25124 9777 1 15 . 1 1 5 5 ILE CB C 5 39.535 39.535 38.183 1.352 25124 9778 1 15 . 1 1 5 5 ILE H H 5 9.605 9.605 8.332 1.273 25124 9779 1 15 . 1 1 6 6 VAL N N 6 127.532 127.532 127.889 -0.357 25124 9780 1 15 . 1 1 6 6 VAL HA H 6 4.892 4.892 4.365 0.527 25124 9781 1 15 . 1 1 6 6 VAL C C 6 174.110 174.110 174.528 -0.418 25124 9782 1 15 . 1 1 6 6 VAL CA C 6 59.255 59.255 61.271 -2.016 25124 9783 1 15 . 1 1 6 6 VAL CB C 6 34.530 34.530 32.723 1.807 25124 9784 1 15 . 1 1 6 6 VAL H H 6 9.135 9.135 8.130 1.005 25124 9785 1 15 . 1 1 7 7 TRP N N 7 127.409 127.409 127.841 -0.432 25124 9786 1 15 . 1 1 7 7 TRP HA H 7 6.447 6.447 4.809 1.638 25124 9787 1 15 . 1 1 7 7 TRP C C 7 175.089 175.089 175.031 0.058 25124 9788 1 15 . 1 1 7 7 TRP CA C 7 52.797 52.797 54.389 -1.592 25124 9789 1 15 . 1 1 7 7 TRP CB C 7 33.255 33.255 30.956 2.299 25124 9790 1 15 . 1 1 7 7 TRP H H 7 8.544 8.544 8.112 0.432 25124 9791 1 15 . 1 1 8 8 VAL N N 8 122.270 122.270 123.628 -1.358 25124 9792 1 15 . 1 1 8 8 VAL HA H 8 5.135 5.135 4.472 0.663 25124 9793 1 15 . 1 1 8 8 VAL C C 8 173.820 173.820 174.186 -0.366 25124 9794 1 15 . 1 1 8 8 VAL CA C 8 60.457 60.457 60.969 -0.512 25124 9795 1 15 . 1 1 8 8 VAL CB C 8 35.893 35.893 33.816 2.077 25124 9796 1 15 . 1 1 8 8 VAL H H 8 8.643 8.643 8.455 0.188 25124 9797 1 15 . 1 1 9 9 VAL N N 9 126.806 126.806 128.599 -1.793 25124 9798 1 15 . 1 1 9 9 VAL HA H 9 5.192 5.192 4.241 0.951 25124 9799 1 15 . 1 1 9 9 VAL C C 9 172.550 172.550 173.972 -1.422 25124 9800 1 15 . 1 1 9 9 VAL CA C 9 58.384 58.384 61.894 -3.510 25124 9801 1 15 . 1 1 9 9 VAL CB C 9 34.135 34.135 32.486 1.649 25124 9802 1 15 . 1 1 9 9 VAL H H 9 9.113 9.113 8.693 0.420 25124 9803 1 15 . 1 1 10 10 ASP N N 10 125.011 125.011 125.369 -0.358 25124 9804 1 15 . 1 1 10 10 ASP HA H 10 4.554 4.554 4.746 -0.192 25124 9805 1 15 . 1 1 10 10 ASP C C 10 174.877 174.877 173.937 0.940 25124 9806 1 15 . 1 1 10 10 ASP CA C 10 55.066 55.066 53.019 2.047 25124 9807 1 15 . 1 1 10 10 ASP CB C 10 44.131 44.131 43.608 0.523 25124 9808 1 15 . 1 1 10 10 ASP H H 10 7.881 7.881 7.976 -0.095 25124 9809 1 15 . 1 1 11 11 ASP N N 11 124.048 124.048 120.681 3.367 25124 9810 1 15 . 1 1 11 11 ASP HA H 11 4.613 4.613 4.960 -0.347 25124 9811 1 15 . 1 1 11 11 ASP C C 11 175.089 175.089 174.643 0.446 25124 9812 1 15 . 1 1 11 11 ASP CA C 11 55.346 55.346 53.591 1.755 25124 9813 1 15 . 1 1 11 11 ASP CB C 11 39.583 39.583 40.329 -0.746 25124 9814 1 15 . 1 1 11 11 ASP H H 11 9.166 9.166 8.562 0.604 25124 9815 1 15 . 1 1 12 12 ASP N N 12 125.165 125.165 121.468 3.697 25124 9816 1 15 . 1 1 12 12 ASP HA H 12 4.757 4.757 4.758 -0.001 25124 9817 1 15 . 1 1 12 12 ASP C C 12 176.993 176.993 176.107 0.886 25124 9818 1 15 . 1 1 12 12 ASP CA C 12 53.112 53.112 54.444 -1.332 25124 9819 1 15 . 1 1 12 12 ASP CB C 12 41.072 41.072 43.389 -2.317 25124 9820 1 15 . 1 1 12 12 ASP H H 12 10.290 10.290 7.713 2.577 25124 9821 1 15 . 1 1 13 13 SER N N 13 123.818 123.818 120.485 3.333 25124 9822 1 15 . 1 1 13 13 SER HA H 13 3.719 3.719 4.083 -0.364 25124 9823 1 15 . 1 1 13 13 SER C C 13 176.146 176.146 175.977 0.169 25124 9824 1 15 . 1 1 13 13 SER CA C 13 61.341 61.341 61.927 -0.586 25124 9825 1 15 . 1 1 13 13 SER CB C 13 62.638 62.638 63.414 -0.776 25124 9826 1 15 . 1 1 13 13 SER H H 13 8.993 8.993 8.914 0.079 25124 9827 1 15 . 1 1 14 14 SER N N 14 118.714 118.714 117.581 1.133 25124 9828 1 15 . 1 1 14 14 SER HA H 14 4.322 4.322 4.350 -0.028 25124 9829 1 15 . 1 1 14 14 SER C C 14 176.411 176.411 176.220 0.191 25124 9830 1 15 . 1 1 14 14 SER CA C 14 61.717 61.717 61.386 0.331 25124 9831 1 15 . 1 1 14 14 SER CB C 14 62.554 62.554 62.959 -0.405 25124 9832 1 15 . 1 1 14 14 SER H H 14 8.499 8.499 8.246 0.253 25124 9833 1 15 . 1 1 15 15 ILE N N 15 122.822 122.822 120.502 2.320 25124 9834 1 15 . 1 1 15 15 ILE HA H 15 3.972 3.972 3.693 0.279 25124 9835 1 15 . 1 1 15 15 ILE C C 15 177.786 177.786 178.051 -0.265 25124 9836 1 15 . 1 1 15 15 ILE CA C 15 60.784 60.784 63.291 -2.507 25124 9837 1 15 . 1 1 15 15 ILE CB C 15 36.016 36.016 36.471 -0.455 25124 9838 1 15 . 1 1 15 15 ILE H H 15 7.011 7.011 8.091 -1.080 25124 9839 1 15 . 1 1 16 16 ARG N N 16 116.580 116.580 118.529 -1.949 25124 9840 1 15 . 1 1 16 16 ARG HA H 16 3.711 3.711 4.165 -0.454 25124 9841 1 15 . 1 1 16 16 ARG C C 16 177.336 177.336 178.635 -1.299 25124 9842 1 15 . 1 1 16 16 ARG CA C 16 61.632 61.632 59.472 2.160 25124 9843 1 15 . 1 1 16 16 ARG CB C 16 30.520 30.520 30.255 0.265 25124 9844 1 15 . 1 1 16 16 ARG H H 16 7.370 7.370 8.157 -0.787 25124 9845 1 15 . 1 1 17 17 TRP N N 17 116.893 116.893 122.873 -5.980 25124 9846 1 15 . 1 1 17 17 TRP HA H 17 4.481 4.481 4.412 0.069 25124 9847 1 15 . 1 1 17 17 TRP C C 17 178.394 178.394 178.178 0.216 25124 9848 1 15 . 1 1 17 17 TRP CA C 17 60.482 60.482 61.155 -0.673 25124 9849 1 15 . 1 1 17 17 TRP CB C 17 29.372 29.372 29.480 -0.108 25124 9850 1 15 . 1 1 17 17 TRP H H 17 8.020 8.020 8.164 -0.144 25124 9851 1 15 . 1 1 18 18 VAL N N 18 116.799 116.799 116.486 0.313 25124 9852 1 15 . 1 1 18 18 VAL HA H 18 3.662 3.662 2.645 1.017 25124 9853 1 15 . 1 1 18 18 VAL C C 18 179.161 179.161 177.805 1.356 25124 9854 1 15 . 1 1 18 18 VAL CA C 18 65.858 65.858 65.363 0.495 25124 9855 1 15 . 1 1 18 18 VAL CB C 18 31.792 31.792 30.938 0.854 25124 9856 1 15 . 1 1 18 18 VAL H H 18 8.085 8.085 8.278 -0.193 25124 9857 1 15 . 1 1 19 19 LEU N N 19 119.595 119.595 120.546 -0.951 25124 9858 1 15 . 1 1 19 19 LEU HA H 19 4.083 4.083 3.859 0.224 25124 9859 1 15 . 1 1 19 19 LEU C C 19 177.759 177.759 178.644 -0.885 25124 9860 1 15 . 1 1 19 19 LEU CA C 19 57.971 57.971 57.705 0.266 25124 9861 1 15 . 1 1 19 19 LEU CB C 19 41.863 41.863 41.558 0.305 25124 9862 1 15 . 1 1 19 19 LEU H H 19 8.035 8.035 7.341 0.694 25124 9863 1 15 . 1 1 20 20 GLU N N 20 120.318 120.318 119.478 0.840 25124 9864 1 15 . 1 1 20 20 GLU HA H 20 4.007 4.007 3.832 0.175 25124 9865 1 15 . 1 1 20 20 GLU C C 20 178.500 178.500 179.250 -0.750 25124 9866 1 15 . 1 1 20 20 GLU CA C 20 60.567 60.567 59.412 1.155 25124 9867 1 15 . 1 1 20 20 GLU CB C 20 29.073 29.073 29.350 -0.277 25124 9868 1 15 . 1 1 20 20 GLU H H 20 8.417 8.417 7.686 0.731 25124 9869 1 15 . 1 1 21 21 ARG N N 21 115.981 115.981 117.976 -1.995 25124 9870 1 15 . 1 1 21 21 ARG HA H 21 3.898 3.898 3.922 -0.024 25124 9871 1 15 . 1 1 21 21 ARG C C 21 179.769 179.769 178.043 1.726 25124 9872 1 15 . 1 1 21 21 ARG CA C 21 58.491 58.491 58.696 -0.205 25124 9873 1 15 . 1 1 21 21 ARG CB C 21 29.966 29.966 29.916 0.050 25124 9874 1 15 . 1 1 21 21 ARG H H 21 7.579 7.579 7.754 -0.175 25124 9875 1 15 . 1 1 22 22 ALA N N 22 122.267 122.267 121.705 0.562 25124 9876 1 15 . 1 1 22 22 ALA HA H 22 4.110 4.110 4.214 -0.104 25124 9877 1 15 . 1 1 22 22 ALA C C 22 180.456 180.456 179.634 0.822 25124 9878 1 15 . 1 1 22 22 ALA CA C 22 54.643 54.643 54.405 0.238 25124 9879 1 15 . 1 1 22 22 ALA CB C 22 19.225 19.225 18.696 0.529 25124 9880 1 15 . 1 1 22 22 ALA H H 22 7.933 7.933 7.608 0.325 25124 9881 1 15 . 1 1 23 23 LEU N N 23 118.139 118.139 119.637 -1.498 25124 9882 1 15 . 1 1 23 23 LEU HA H 23 4.005 4.005 3.878 0.127 25124 9883 1 15 . 1 1 23 23 LEU C C 23 178.843 178.843 179.399 -0.556 25124 9884 1 15 . 1 1 23 23 LEU CA C 23 57.765 57.765 57.886 -0.121 25124 9885 1 15 . 1 1 23 23 LEU CB C 23 39.919 39.919 41.364 -1.445 25124 9886 1 15 . 1 1 23 23 LEU H H 23 8.855 8.855 8.541 0.314 25124 9887 1 15 . 1 1 24 24 ALA N N 24 122.164 122.164 119.908 2.256 25124 9888 1 15 . 1 1 24 24 ALA HA H 24 4.665 4.665 4.058 0.607 25124 9889 1 15 . 1 1 24 24 ALA C C 24 183.206 183.206 179.457 3.749 25124 9890 1 15 . 1 1 24 24 ALA CA C 24 54.812 54.812 54.427 0.385 25124 9891 1 15 . 1 1 24 24 ALA CB C 24 17.820 17.820 18.350 -0.530 25124 9892 1 15 . 1 1 24 24 ALA H H 24 8.238 8.238 7.938 0.300 25124 9893 1 15 . 1 1 25 25 GLY N N 25 106.903 106.903 105.229 1.674 25124 9894 1 15 . 1 1 25 25 GLY C C 25 174.375 174.375 175.104 -0.729 25124 9895 1 15 . 1 1 25 25 GLY CA C 25 46.550 46.550 45.611 0.939 25124 9896 1 15 . 1 1 25 25 GLY H H 25 7.907 7.907 7.664 0.243 25124 9897 1 15 . 1 1 26 26 ALA N N 26 121.832 121.832 122.689 -0.857 25124 9898 1 15 . 1 1 26 26 ALA HA H 26 4.505 4.505 4.691 -0.186 25124 9899 1 15 . 1 1 26 26 ALA CA C 26 51.585 51.585 51.160 0.424 25124 9900 1 15 . 1 1 26 26 ALA CB C 26 18.799 18.799 19.184 -0.385 25124 9901 1 15 . 1 1 26 26 ALA H H 26 7.316 7.316 7.694 -0.379 25124 9902 1 15 . 1 1 27 27 GLY N N 27 106.146 106.146 106.923 -0.777 25124 9903 1 15 . 1 1 27 27 GLY C C 27 174.057 174.057 174.533 -0.476 25124 9904 1 15 . 1 1 27 27 GLY CA C 27 45.333 45.333 45.209 0.124 25124 9905 1 15 . 1 1 27 27 GLY H H 27 7.868 7.868 7.765 0.103 25124 9906 1 15 . 1 1 28 28 LEU N N 28 120.273 120.273 121.392 -1.119 25124 9907 1 15 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.190 0.385 25124 9908 1 15 . 1 1 28 28 LEU C C 28 175.988 175.988 177.204 -1.216 25124 9909 1 15 . 1 1 28 28 LEU CA C 28 53.881 53.881 54.561 -0.680 25124 9910 1 15 . 1 1 28 28 LEU CB C 28 42.540 42.540 41.973 0.567 25124 9911 1 15 . 1 1 28 28 LEU H H 28 7.659 7.659 7.524 0.135 25124 9912 1 15 . 1 1 29 29 THR N N 29 118.173 118.173 119.221 -1.048 25124 9913 1 15 . 1 1 29 29 THR HA H 29 4.346 4.346 4.153 0.193 25124 9914 1 15 . 1 1 29 29 THR C C 29 173.344 173.344 173.726 -0.382 25124 9915 1 15 . 1 1 29 29 THR CA C 29 62.598 62.598 64.108 -1.510 25124 9916 1 15 . 1 1 29 29 THR CB C 29 69.423 69.423 69.055 0.367 25124 9917 1 15 . 1 1 29 29 THR H H 29 8.562 8.562 8.148 0.414 25124 9918 1 15 . 1 1 30 30 CYS N N 30 128.450 128.450 127.748 0.702 25124 9919 1 15 . 1 1 30 30 CYS HA H 30 6.012 6.012 4.678 1.334 25124 9920 1 15 . 1 1 30 30 CYS C C 30 173.978 173.978 174.016 -0.038 25124 9921 1 15 . 1 1 30 30 CYS CA C 30 56.424 56.424 58.127 -1.703 25124 9922 1 15 . 1 1 30 30 CYS CB C 30 29.615 29.615 29.078 0.537 25124 9923 1 15 . 1 1 30 30 CYS H H 30 9.035 9.035 8.658 0.377 25124 9924 1 15 . 1 1 31 31 THR N N 31 126.377 126.377 124.482 1.895 25124 9925 1 15 . 1 1 31 31 THR HA H 31 4.442 4.442 4.496 -0.054 25124 9926 1 15 . 1 1 31 31 THR C C 31 172.683 172.683 172.388 0.295 25124 9927 1 15 . 1 1 31 31 THR CA C 31 61.956 61.956 61.523 0.433 25124 9928 1 15 . 1 1 31 31 THR CB C 31 70.624 70.624 71.976 -1.352 25124 9929 1 15 . 1 1 31 31 THR H H 31 8.510 8.510 8.419 0.091 25124 9930 1 15 . 1 1 32 32 THR N N 32 115.988 115.988 114.219 1.769 25124 9931 1 15 . 1 1 32 32 THR HA H 32 5.454 5.454 4.807 0.647 25124 9932 1 15 . 1 1 32 32 THR C C 32 172.259 172.259 172.199 0.060 25124 9933 1 15 . 1 1 32 32 THR CA C 32 59.101 59.101 60.824 -1.723 25124 9934 1 15 . 1 1 32 32 THR CB C 32 71.173 71.173 71.300 -0.127 25124 9935 1 15 . 1 1 32 32 THR H H 32 8.301 8.301 7.685 0.616 25124 9936 1 15 . 1 1 33 33 PHE N N 33 117.690 117.690 122.148 -4.458 25124 9937 1 15 . 1 1 33 33 PHE HA H 33 4.723 4.723 4.658 0.065 25124 9938 1 15 . 1 1 33 33 PHE C C 33 174.507 174.507 175.336 -0.829 25124 9939 1 15 . 1 1 33 33 PHE CA C 33 56.504 56.504 58.326 -1.822 25124 9940 1 15 . 1 1 33 33 PHE CB C 33 43.589 43.589 40.205 3.384 25124 9941 1 15 . 1 1 33 33 PHE H H 33 8.834 8.834 8.527 0.307 25124 9942 1 15 . 1 1 34 34 GLU N N 34 118.296 118.296 118.353 -0.057 25124 9943 1 15 . 1 1 34 34 GLU HA H 34 4.451 4.451 4.448 0.003 25124 9944 1 15 . 1 1 34 34 GLU C C 34 174.957 174.957 174.176 0.781 25124 9945 1 15 . 1 1 34 34 GLU CA C 34 56.661 56.661 57.117 -0.456 25124 9946 1 15 . 1 1 34 34 GLU CB C 34 31.792 31.792 30.667 1.125 25124 9947 1 15 . 1 1 34 34 GLU H H 34 9.096 9.096 8.455 0.641 25124 9948 1 15 . 1 1 35 35 ASN N N 35 108.486 108.486 114.751 -6.265 25124 9949 1 15 . 1 1 35 35 ASN HA H 35 4.960 4.960 5.020 -0.060 25124 9950 1 15 . 1 1 35 35 ASN C C 35 175.353 175.353 176.903 -1.550 25124 9951 1 15 . 1 1 35 35 ASN CA C 35 52.364 52.364 51.205 1.159 25124 9952 1 15 . 1 1 35 35 ASN CB C 35 40.932 40.932 40.784 0.148 25124 9953 1 15 . 1 1 35 35 ASN H H 35 7.286 7.286 7.755 -0.469 25124 9954 1 15 . 1 1 36 36 GLY N N 36 105.329 105.329 107.696 -2.367 25124 9955 1 15 . 1 1 36 36 GLY C C 36 174.586 174.586 175.834 -1.248 25124 9956 1 15 . 1 1 36 36 GLY CA C 36 47.533 47.533 47.255 0.278 25124 9957 1 15 . 1 1 36 36 GLY H H 36 9.369 9.369 8.920 0.449 25124 9958 1 15 . 1 1 37 37 ASN N N 37 120.396 120.396 119.696 0.700 25124 9959 1 15 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.354 0.008 25124 9960 1 15 . 1 1 37 37 ASN C C 37 178.791 178.791 177.519 1.272 25124 9961 1 15 . 1 1 37 37 ASN CA C 37 56.843 56.843 56.199 0.644 25124 9962 1 15 . 1 1 37 37 ASN CB C 37 37.716 37.716 38.129 -0.413 25124 9963 1 15 . 1 1 37 37 ASN H H 37 8.440 8.440 8.369 0.071 25124 9964 1 15 . 1 1 38 38 GLU N N 38 119.334 119.334 119.201 0.133 25124 9965 1 15 . 1 1 38 38 GLU HA H 38 4.058 4.058 3.839 0.219 25124 9966 1 15 . 1 1 38 38 GLU C C 38 179.372 179.372 178.798 0.574 25124 9967 1 15 . 1 1 38 38 GLU CA C 38 58.790 58.790 59.172 -0.382 25124 9968 1 15 . 1 1 38 38 GLU CB C 38 30.692 30.692 29.377 1.315 25124 9969 1 15 . 1 1 38 38 GLU H H 38 8.063 8.063 7.887 0.176 25124 9970 1 15 . 1 1 39 39 VAL N N 39 119.047 119.047 120.006 -0.959 25124 9971 1 15 . 1 1 39 39 VAL HA H 39 2.599 2.599 3.130 -0.531 25124 9972 1 15 . 1 1 39 39 VAL C C 39 176.807 176.807 178.114 -1.307 25124 9973 1 15 . 1 1 39 39 VAL CA C 39 65.222 65.222 65.638 -0.416 25124 9974 1 15 . 1 1 39 39 VAL CB C 39 31.078 31.078 31.198 -0.120 25124 9975 1 15 . 1 1 39 39 VAL H H 39 6.844 6.844 7.237 -0.393 25124 9976 1 15 . 1 1 40 40 LEU N N 40 118.385 118.385 121.063 -2.678 25124 9977 1 15 . 1 1 40 40 LEU HA H 40 3.929 3.929 3.882 0.047 25124 9978 1 15 . 1 1 40 40 LEU C C 40 179.584 179.584 178.178 1.406 25124 9979 1 15 . 1 1 40 40 LEU CA C 40 57.943 57.943 58.150 -0.207 25124 9980 1 15 . 1 1 40 40 LEU CB C 40 40.932 40.932 40.316 0.616 25124 9981 1 15 . 1 1 40 40 LEU H H 40 7.715 7.715 8.090 -0.375 25124 9982 1 15 . 1 1 41 41 ALA N N 41 120.091 120.091 120.797 -0.706 25124 9983 1 15 . 1 1 41 41 ALA HA H 41 4.158 4.158 3.810 0.348 25124 9984 1 15 . 1 1 41 41 ALA C C 41 180.562 180.562 178.746 1.816 25124 9985 1 15 . 1 1 41 41 ALA CA C 41 54.717 54.717 54.871 -0.154 25124 9986 1 15 . 1 1 41 41 ALA CB C 41 17.853 17.853 17.932 -0.079 25124 9987 1 15 . 1 1 41 41 ALA H H 41 7.671 7.671 7.608 0.063 25124 9988 1 15 . 1 1 42 42 ALA N N 42 122.650 122.650 119.567 3.083 25124 9989 1 15 . 1 1 42 42 ALA HA H 42 4.221 4.221 4.144 0.077 25124 9990 1 15 . 1 1 42 42 ALA C C 42 180.166 180.166 179.911 0.255 25124 9991 1 15 . 1 1 42 42 ALA CA C 42 54.974 54.974 54.502 0.472 25124 9992 1 15 . 1 1 42 42 ALA CB C 42 19.488 19.488 18.061 1.427 25124 9993 1 15 . 1 1 42 42 ALA H H 42 7.573 7.573 7.121 0.452 25124 9994 1 15 . 1 1 43 43 LEU N N 43 119.321 119.321 121.282 -1.961 25124 9995 1 15 . 1 1 43 43 LEU HA H 43 5.260 5.260 4.663 0.597 25124 9996 1 15 . 1 1 43 43 LEU C C 43 177.389 177.389 179.819 -2.430 25124 9997 1 15 . 1 1 43 43 LEU CA C 43 55.446 55.446 57.751 -2.305 25124 9998 1 15 . 1 1 43 43 LEU CB C 43 42.879 42.879 42.050 0.829 25124 9999 1 15 . 1 1 43 43 LEU H H 43 8.289 8.289 8.411 -0.122 25124 10000 1 15 . 1 1 44 44 ALA N N 44 118.995 118.995 119.882 -0.887 25124 10001 1 15 . 1 1 44 44 ALA HA H 44 4.232 4.232 4.076 0.156 25124 10002 1 15 . 1 1 44 44 ALA C C 44 178.738 178.738 178.843 -0.105 25124 10003 1 15 . 1 1 44 44 ALA CA C 44 54.353 54.353 54.455 -0.102 25124 10004 1 15 . 1 1 44 44 ALA CB C 44 18.674 18.674 18.758 -0.084 25124 10005 1 15 . 1 1 44 44 ALA H H 44 7.307 7.307 8.499 -1.192 25124 10006 1 15 . 1 1 45 45 SER N N 45 108.530 108.530 112.881 -4.351 25124 10007 1 15 . 1 1 45 45 SER HA H 45 4.761 4.761 4.482 0.279 25124 10008 1 15 . 1 1 45 45 SER C C 45 173.344 173.344 174.720 -1.376 25124 10009 1 15 . 1 1 45 45 SER CA C 45 58.682 58.682 60.412 -1.730 25124 10010 1 15 . 1 1 45 45 SER CB C 45 65.446 65.446 64.217 1.229 25124 10011 1 15 . 1 1 45 45 SER H H 45 7.772 7.772 7.857 -0.085 25124 10012 1 15 . 1 1 46 46 LYS N N 46 122.965 122.965 119.041 3.924 25124 10013 1 15 . 1 1 46 46 LYS HA H 46 4.608 4.608 4.670 -0.062 25124 10014 1 15 . 1 1 46 46 LYS C C 46 172.815 172.815 174.124 -1.309 25124 10015 1 15 . 1 1 46 46 LYS CA C 46 55.601 55.601 55.293 0.308 25124 10016 1 15 . 1 1 46 46 LYS CB C 46 36.399 36.399 36.359 0.040 25124 10017 1 15 . 1 1 46 46 LYS H H 46 8.096 8.096 8.314 -0.218 25124 10018 1 15 . 1 1 47 47 THR N N 47 111.524 111.524 113.598 -2.074 25124 10019 1 15 . 1 1 47 47 THR HA H 47 4.307 4.307 4.545 -0.238 25124 10020 1 15 . 1 1 47 47 THR CA C 47 57.896 57.896 58.344 -0.448 25124 10021 1 15 . 1 1 47 47 THR CB C 47 70.570 70.570 69.440 1.130 25124 10022 1 15 . 1 1 47 47 THR H H 47 7.708 7.708 8.236 -0.528 25124 10023 1 15 . 1 1 48 48 PRO HA H 48 3.944 3.944 3.809 0.135 25124 10024 1 15 . 1 1 48 48 PRO C C 48 173.079 173.079 175.663 -2.584 25124 10025 1 15 . 1 1 48 48 PRO CA C 48 60.922 60.922 62.131 -1.209 25124 10026 1 15 . 1 1 48 48 PRO CB C 48 30.353 30.353 31.851 -1.498 25124 10027 1 15 . 1 1 49 49 ASP N N 49 115.001 115.001 117.004 -2.003 25124 10028 1 15 . 1 1 49 49 ASP HA H 49 4.460 4.460 4.622 -0.162 25124 10029 1 15 . 1 1 49 49 ASP C C 49 175.591 175.591 174.703 0.888 25124 10030 1 15 . 1 1 49 49 ASP CA C 49 56.504 56.504 53.856 2.648 25124 10031 1 15 . 1 1 49 49 ASP CB C 49 42.625 42.625 43.317 -0.692 25124 10032 1 15 . 1 1 49 49 ASP H H 49 8.535 8.535 8.008 0.527 25124 10033 1 15 . 1 1 50 50 VAL N N 50 111.832 111.832 115.793 -3.961 25124 10034 1 15 . 1 1 50 50 VAL HA H 50 4.316 4.316 4.342 -0.026 25124 10035 1 15 . 1 1 50 50 VAL C C 50 171.572 171.572 173.052 -1.480 25124 10036 1 15 . 1 1 50 50 VAL CA C 50 60.398 60.398 61.824 -1.426 25124 10037 1 15 . 1 1 50 50 VAL CB C 50 34.650 34.650 32.581 2.069 25124 10038 1 15 . 1 1 50 50 VAL H H 50 7.194 7.194 7.192 0.002 25124 10039 1 15 . 1 1 51 51 LEU N N 51 127.785 127.785 129.482 -1.697 25124 10040 1 15 . 1 1 51 51 LEU HA H 51 5.376 5.376 5.455 -0.079 25124 10041 1 15 . 1 1 51 51 LEU C C 51 173.264 173.264 174.989 -1.725 25124 10042 1 15 . 1 1 51 51 LEU CA C 51 53.137 53.137 53.034 0.103 25124 10043 1 15 . 1 1 51 51 LEU CB C 51 46.680 46.680 46.206 0.474 25124 10044 1 15 . 1 1 51 51 LEU H H 51 8.049 8.049 8.433 -0.384 25124 10045 1 15 . 1 1 52 52 LEU N N 52 128.943 128.943 125.829 3.114 25124 10046 1 15 . 1 1 52 52 LEU HA H 52 5.312 5.312 5.186 0.126 25124 10047 1 15 . 1 1 52 52 LEU C C 52 174.692 174.692 176.659 -1.967 25124 10048 1 15 . 1 1 52 52 LEU CA C 52 54.313 54.313 53.514 0.798 25124 10049 1 15 . 1 1 52 52 LEU CB C 52 43.961 43.961 41.497 2.464 25124 10050 1 15 . 1 1 52 52 LEU H H 52 9.278 9.278 8.024 1.254 25124 10051 1 15 . 1 1 53 53 SER N N 53 116.717 116.717 117.788 -1.071 25124 10052 1 15 . 1 1 53 53 SER HA H 53 5.395 5.395 4.321 1.074 25124 10053 1 15 . 1 1 53 53 SER C C 53 173.608 173.608 173.305 0.303 25124 10054 1 15 . 1 1 53 53 SER CA C 53 56.226 56.226 58.971 -2.745 25124 10055 1 15 . 1 1 53 53 SER CB C 53 65.753 65.753 64.285 1.468 25124 10056 1 15 . 1 1 53 53 SER H H 53 9.256 9.256 7.840 1.416 25124 10057 1 15 . 1 1 54 54 ASP N N 54 127.909 127.909 123.051 4.858 25124 10058 1 15 . 1 1 54 54 ASP HA H 54 5.622 5.622 5.521 0.101 25124 10059 1 15 . 1 1 54 54 ASP C C 54 175.723 175.723 175.785 -0.062 25124 10060 1 15 . 1 1 54 54 ASP CA C 54 53.268 53.268 52.347 0.921 25124 10061 1 15 . 1 1 54 54 ASP CB C 54 44.386 44.386 43.446 0.940 25124 10062 1 15 . 1 1 54 54 ASP H H 54 8.219 8.219 8.644 -0.425 25124 10063 1 15 . 1 1 55 55 ILE N N 55 117.015 117.015 117.936 -0.921 25124 10064 1 15 . 1 1 55 55 ILE HA H 55 4.116 4.116 4.462 -0.346 25124 10065 1 15 . 1 1 55 55 ILE C C 55 176.913 176.913 174.358 2.555 25124 10066 1 15 . 1 1 55 55 ILE CA C 55 65.290 65.290 59.561 5.729 25124 10067 1 15 . 1 1 55 55 ILE CB C 55 38.487 38.487 36.911 1.576 25124 10068 1 15 . 1 1 55 55 ILE H H 55 7.812 7.812 8.057 -0.245 25124 10069 1 15 . 1 1 56 56 ARG N N 56 117.365 117.365 121.424 -4.059 25124 10070 1 15 . 1 1 56 56 ARG HA H 56 4.379 4.379 4.428 -0.049 25124 10071 1 15 . 1 1 56 56 ARG C C 56 172.788 172.788 173.607 -0.819 25124 10072 1 15 . 1 1 56 56 ARG CA C 56 57.034 57.034 56.430 0.604 25124 10073 1 15 . 1 1 56 56 ARG CB C 56 27.600 27.600 29.723 -2.123 25124 10074 1 15 . 1 1 56 56 ARG H H 56 8.991 8.991 7.967 1.024 25124 10075 1 15 . 1 1 57 57 MET N N 57 129.539 129.539 117.893 11.646 25124 10076 1 15 . 1 1 57 57 MET HA H 57 4.767 4.767 5.038 -0.271 25124 10077 1 15 . 1 1 57 57 MET CA C 57 53.641 53.641 53.089 0.552 25124 10078 1 15 . 1 1 57 57 MET CB C 57 36.484 36.484 33.539 2.945 25124 10079 1 15 . 1 1 57 57 MET H H 57 7.501 7.501 7.786 -0.285 25124 10080 1 15 . 1 1 58 58 PRO HA H 58 4.379 4.379 4.433 -0.054 25124 10081 1 15 . 1 1 58 58 PRO C C 58 177.495 177.495 177.653 -0.158 25124 10082 1 15 . 1 1 58 58 PRO CA C 58 63.104 63.104 63.831 -0.727 25124 10083 1 15 . 1 1 58 58 PRO CB C 58 31.922 31.922 32.253 -0.331 25124 10084 1 15 . 1 1 59 59 GLY N N 59 112.312 112.312 108.270 4.042 25124 10085 1 15 . 1 1 59 59 GLY C C 59 173.793 173.793 174.450 -0.657 25124 10086 1 15 . 1 1 59 59 GLY CA C 59 46.430 46.430 46.428 0.001 25124 10087 1 15 . 1 1 59 59 GLY H H 59 8.656 8.656 8.511 0.145 25124 10088 1 15 . 1 1 60 60 MET N N 60 124.343 124.343 118.138 6.205 25124 10089 1 15 . 1 1 60 60 MET HA H 60 4.344 4.344 4.569 -0.225 25124 10090 1 15 . 1 1 60 60 MET C C 60 174.190 174.190 174.821 -0.631 25124 10091 1 15 . 1 1 60 60 MET CA C 60 55.871 55.871 55.666 0.205 25124 10092 1 15 . 1 1 60 60 MET CB C 60 34.955 34.955 34.475 0.480 25124 10093 1 15 . 1 1 60 60 MET H H 60 7.778 7.778 8.235 -0.457 25124 10094 1 15 . 1 1 61 61 ASP N N 61 124.993 124.993 115.325 9.668 25124 10095 1 15 . 1 1 61 61 ASP HA H 61 4.870 4.870 4.733 0.137 25124 10096 1 15 . 1 1 61 61 ASP C C 61 176.966 176.966 175.162 1.804 25124 10097 1 15 . 1 1 61 61 ASP CA C 61 53.490 53.490 53.737 -0.247 25124 10098 1 15 . 1 1 61 61 ASP CB C 61 42.347 42.347 41.502 0.846 25124 10099 1 15 . 1 1 61 61 ASP H H 61 8.378 8.378 7.718 0.659 25124 10100 1 15 . 1 1 62 62 GLY N N 62 105.163 105.163 105.719 -0.556 25124 10101 1 15 . 1 1 62 62 GLY C C 62 175.935 175.935 175.638 0.297 25124 10102 1 15 . 1 1 62 62 GLY CA C 62 46.755 46.755 45.089 1.666 25124 10103 1 15 . 1 1 62 62 GLY H H 62 10.153 10.153 8.617 1.536 25124 10104 1 15 . 1 1 63 63 LEU N N 63 120.509 120.509 121.944 -1.435 25124 10105 1 15 . 1 1 63 63 LEU HA H 63 4.293 4.293 4.345 -0.052 25124 10106 1 15 . 1 1 63 63 LEU C C 63 179.293 179.293 178.127 1.166 25124 10107 1 15 . 1 1 63 63 LEU CA C 63 57.148 57.148 56.663 0.485 25124 10108 1 15 . 1 1 63 63 LEU CB C 63 40.053 40.053 41.975 -1.922 25124 10109 1 15 . 1 1 63 63 LEU H H 63 8.119 8.119 7.845 0.275 25124 10110 1 15 . 1 1 64 64 ALA N N 64 126.234 126.234 122.214 4.020 25124 10111 1 15 . 1 1 64 64 ALA HA H 64 4.112 4.112 4.061 0.051 25124 10112 1 15 . 1 1 64 64 ALA C C 64 181.223 181.223 178.771 2.452 25124 10113 1 15 . 1 1 64 64 ALA CA C 64 54.802 54.802 54.828 -0.026 25124 10114 1 15 . 1 1 64 64 ALA CB C 64 18.133 18.133 18.216 -0.083 25124 10115 1 15 . 1 1 64 64 ALA H H 64 8.303 8.303 7.672 0.631 25124 10116 1 15 . 1 1 65 65 LEU N N 65 120.067 120.067 118.064 2.003 25124 10117 1 15 . 1 1 65 65 LEU HA H 65 4.044 4.044 4.282 -0.238 25124 10118 1 15 . 1 1 65 65 LEU C C 65 177.548 177.548 178.283 -0.735 25124 10119 1 15 . 1 1 65 65 LEU CA C 65 58.197 58.197 57.094 1.103 25124 10120 1 15 . 1 1 65 65 LEU CB C 65 41.727 41.727 42.578 -0.851 25124 10121 1 15 . 1 1 65 65 LEU H H 65 8.398 8.398 7.944 0.454 25124 10122 1 15 . 1 1 66 66 LEU N N 66 120.890 120.890 120.156 0.734 25124 10123 1 15 . 1 1 66 66 LEU HA H 66 3.848 3.848 4.005 -0.157 25124 10124 1 15 . 1 1 66 66 LEU C C 66 177.230 177.230 178.454 -1.224 25124 10125 1 15 . 1 1 66 66 LEU CA C 66 58.736 58.736 57.477 1.259 25124 10126 1 15 . 1 1 66 66 LEU CB C 66 41.803 41.803 41.801 0.002 25124 10127 1 15 . 1 1 66 66 LEU H H 66 8.203 8.203 7.712 0.491 25124 10128 1 15 . 1 1 67 67 LYS N N 67 116.919 116.919 118.225 -1.306 25124 10129 1 15 . 1 1 67 67 LYS HA H 67 4.004 4.004 3.952 0.052 25124 10130 1 15 . 1 1 67 67 LYS C C 67 179.452 179.452 179.167 0.285 25124 10131 1 15 . 1 1 67 67 LYS CA C 67 59.733 59.733 59.389 0.344 25124 10132 1 15 . 1 1 67 67 LYS CB C 67 32.415 32.415 32.073 0.342 25124 10133 1 15 . 1 1 67 67 LYS H H 67 7.667 7.667 8.266 -0.599 25124 10134 1 15 . 1 1 68 68 GLN N N 68 116.851 116.851 118.921 -2.070 25124 10135 1 15 . 1 1 68 68 GLN HA H 68 4.046 4.046 4.095 -0.049 25124 10136 1 15 . 1 1 68 68 GLN C C 68 179.319 179.319 178.181 1.138 25124 10137 1 15 . 1 1 68 68 GLN CA C 68 58.820 58.820 58.889 -0.069 25124 10138 1 15 . 1 1 68 68 GLN CB C 68 28.660 28.660 29.390 -0.730 25124 10139 1 15 . 1 1 68 68 GLN H H 68 7.677 7.677 7.543 0.134 25124 10140 1 15 . 1 1 69 69 ILE N N 69 120.670 120.670 115.571 5.099 25124 10141 1 15 . 1 1 69 69 ILE HA H 69 3.564 3.564 3.832 -0.268 25124 10142 1 15 . 1 1 69 69 ILE C C 69 177.786 177.786 177.677 0.109 25124 10143 1 15 . 1 1 69 69 ILE CA C 69 65.381 65.381 64.189 1.192 25124 10144 1 15 . 1 1 69 69 ILE CB C 69 37.186 37.186 37.400 -0.214 25124 10145 1 15 . 1 1 69 69 ILE H H 69 8.918 8.918 7.431 1.487 25124 10146 1 15 . 1 1 70 70 LYS N N 70 118.002 118.002 117.440 0.562 25124 10147 1 15 . 1 1 70 70 LYS HA H 70 3.936 3.936 4.177 -0.241 25124 10148 1 15 . 1 1 70 70 LYS C C 70 177.944 177.944 178.211 -0.267 25124 10149 1 15 . 1 1 70 70 LYS CA C 70 57.351 57.351 57.784 -0.433 25124 10150 1 15 . 1 1 70 70 LYS CB C 70 31.440 31.440 32.350 -0.910 25124 10151 1 15 . 1 1 70 70 LYS H H 70 8.592 8.592 7.964 0.628 25124 10152 1 15 . 1 1 71 71 GLN N N 71 114.891 114.891 117.729 -2.838 25124 10153 1 15 . 1 1 71 71 GLN HA H 71 4.063 4.063 4.215 -0.152 25124 10154 1 15 . 1 1 71 71 GLN C C 71 177.019 177.019 178.305 -1.286 25124 10155 1 15 . 1 1 71 71 GLN CA C 71 58.007 58.007 57.517 0.490 25124 10156 1 15 . 1 1 71 71 GLN CB C 71 29.168 29.168 29.593 -0.425 25124 10157 1 15 . 1 1 71 71 GLN H H 71 7.266 7.266 7.446 -0.180 25124 10158 1 15 . 1 1 72 72 ARG N N 72 116.364 116.364 118.625 -2.261 25124 10159 1 15 . 1 1 72 72 ARG HA H 72 4.130 4.130 3.970 0.160 25124 10160 1 15 . 1 1 72 72 ARG C C 72 175.803 175.803 176.049 -0.246 25124 10161 1 15 . 1 1 72 72 ARG CA C 72 57.174 57.174 58.212 -1.038 25124 10162 1 15 . 1 1 72 72 ARG CB C 72 32.638 32.638 30.454 2.183 25124 10163 1 15 . 1 1 72 72 ARG H H 72 7.254 7.254 8.294 -1.040 25124 10164 1 15 . 1 1 73 73 HIS N N 73 116.981 116.981 110.752 6.229 25124 10165 1 15 . 1 1 73 73 HIS HA H 73 4.994 4.994 4.963 0.031 25124 10166 1 15 . 1 1 73 73 HIS CA C 73 53.252 53.252 53.357 -0.105 25124 10167 1 15 . 1 1 73 73 HIS CB C 73 31.026 31.026 29.551 1.475 25124 10168 1 15 . 1 1 73 73 HIS H H 73 8.828 8.828 7.142 1.686 25124 10169 1 15 . 1 1 74 74 PRO HA H 74 4.435 4.435 4.586 -0.151 25124 10170 1 15 . 1 1 74 74 PRO C C 74 178.156 178.156 177.847 0.309 25124 10171 1 15 . 1 1 74 74 PRO CA C 74 65.284 65.284 64.319 0.965 25124 10172 1 15 . 1 1 74 74 PRO CB C 74 32.130 32.130 32.140 -0.010 25124 10173 1 15 . 1 1 75 75 MET N N 75 114.676 114.676 116.916 -2.240 25124 10174 1 15 . 1 1 75 75 MET HA H 75 4.587 4.587 4.406 0.181 25124 10175 1 15 . 1 1 75 75 MET C C 75 176.067 176.067 175.878 0.189 25124 10176 1 15 . 1 1 75 75 MET CA C 75 54.304 54.304 56.630 -2.326 25124 10177 1 15 . 1 1 75 75 MET CB C 75 31.623 31.623 32.815 -1.192 25124 10178 1 15 . 1 1 75 75 MET H H 75 8.648 8.648 7.964 0.684 25124 10179 1 15 . 1 1 76 76 LEU N N 76 125.720 125.720 119.049 6.671 25124 10180 1 15 . 1 1 76 76 LEU HA H 76 4.293 4.293 4.420 -0.127 25124 10181 1 15 . 1 1 76 76 LEU CA C 76 53.472 53.472 52.671 0.801 25124 10182 1 15 . 1 1 76 76 LEU CB C 76 43.540 43.540 41.258 2.282 25124 10183 1 15 . 1 1 76 76 LEU H H 76 7.342 7.342 7.402 -0.060 25124 10184 1 15 . 1 1 77 77 PRO HA H 77 4.440 4.440 4.497 -0.057 25124 10185 1 15 . 1 1 77 77 PRO C C 77 175.062 175.062 175.600 -0.538 25124 10186 1 15 . 1 1 77 77 PRO CA C 77 62.841 62.841 62.994 -0.153 25124 10187 1 15 . 1 1 77 77 PRO CB C 77 31.903 31.903 31.736 0.167 25124 10188 1 15 . 1 1 78 78 VAL N N 78 123.116 123.116 122.638 0.478 25124 10189 1 15 . 1 1 78 78 VAL HA H 78 5.093 5.093 4.364 0.729 25124 10190 1 15 . 1 1 78 78 VAL C C 78 175.776 175.776 174.649 1.127 25124 10191 1 15 . 1 1 78 78 VAL CA C 78 60.083 60.083 61.076 -0.993 25124 10192 1 15 . 1 1 78 78 VAL CB C 78 34.245 34.245 35.566 -1.321 25124 10193 1 15 . 1 1 78 78 VAL H H 78 8.369 8.369 8.174 0.195 25124 10194 1 15 . 1 1 79 79 ILE N N 79 129.166 129.166 123.734 5.432 25124 10195 1 15 . 1 1 79 79 ILE HA H 79 4.499 4.499 4.616 -0.117 25124 10196 1 15 . 1 1 79 79 ILE C C 79 174.295 174.295 175.061 -0.766 25124 10197 1 15 . 1 1 79 79 ILE CA C 79 60.030 60.030 60.026 0.004 25124 10198 1 15 . 1 1 79 79 ILE CB C 79 40.222 40.222 41.379 -1.157 25124 10199 1 15 . 1 1 79 79 ILE H H 79 9.436 9.436 8.118 1.318 25124 10200 1 15 . 1 1 80 80 ILE N N 80 128.234 128.234 126.687 1.547 25124 10201 1 15 . 1 1 80 80 ILE HA H 80 5.253 5.253 4.534 0.719 25124 10202 1 15 . 1 1 80 80 ILE C C 80 173.449 173.449 174.969 -1.520 25124 10203 1 15 . 1 1 80 80 ILE CA C 80 56.265 56.265 59.678 -3.413 25124 10204 1 15 . 1 1 80 80 ILE CB C 80 38.176 38.176 37.623 0.553 25124 10205 1 15 . 1 1 80 80 ILE H H 80 7.920 7.920 8.180 -0.260 25124 10206 1 15 . 1 1 81 81 MET N N 81 124.079 124.079 128.863 -4.784 25124 10207 1 15 . 1 1 81 81 MET HA H 81 5.489 5.489 4.839 0.650 25124 10208 1 15 . 1 1 81 81 MET C C 81 173.820 173.820 173.863 -0.043 25124 10209 1 15 . 1 1 81 81 MET CA C 81 52.889 52.889 54.258 -1.369 25124 10210 1 15 . 1 1 81 81 MET CB C 81 36.663 36.663 34.783 1.880 25124 10211 1 15 . 1 1 81 81 MET H H 81 9.028 9.028 8.506 0.522 25124 10212 1 15 . 1 1 82 82 THR N N 82 108.434 108.434 118.663 -10.229 25124 10213 1 15 . 1 1 82 82 THR HA H 82 5.134 5.134 4.595 0.539 25124 10214 1 15 . 1 1 82 82 THR C C 82 172.550 172.550 172.119 0.431 25124 10215 1 15 . 1 1 82 82 THR CA C 82 60.642 60.642 60.975 -0.333 25124 10216 1 15 . 1 1 82 82 THR CB C 82 68.843 68.843 70.273 -1.430 25124 10217 1 15 . 1 1 82 82 THR H H 82 7.098 7.098 8.168 -1.070 25124 10218 1 15 . 1 1 83 83 ALA N N 83 128.991 128.991 123.580 5.411 25124 10219 1 15 . 1 1 83 83 ALA HA H 83 4.678 4.678 4.839 -0.161 25124 10220 1 15 . 1 1 83 83 ALA C C 83 177.812 177.812 177.994 -0.182 25124 10221 1 15 . 1 1 83 83 ALA CA C 83 52.457 52.457 50.720 1.737 25124 10222 1 15 . 1 1 83 83 ALA CB C 83 19.396 19.396 21.186 -1.790 25124 10223 1 15 . 1 1 83 83 ALA H H 83 8.590 8.590 8.474 0.116 25124 10224 1 15 . 1 1 84 84 HIS N N 84 121.904 121.904 116.712 5.192 25124 10225 1 15 . 1 1 84 84 HIS HA H 84 4.576 4.576 4.269 0.307 25124 10226 1 15 . 1 1 84 84 HIS C C 84 175.512 175.512 177.592 -2.080 25124 10227 1 15 . 1 1 84 84 HIS CA C 84 56.674 56.674 58.282 -1.608 25124 10228 1 15 . 1 1 84 84 HIS CB C 84 29.589 29.589 29.348 0.242 25124 10229 1 15 . 1 1 84 84 HIS H H 84 8.865 8.865 8.955 -0.090 25124 10230 1 15 . 1 1 85 85 SER N N 85 114.679 114.679 115.078 -0.399 25124 10231 1 15 . 1 1 85 85 SER HA H 85 4.303 4.303 3.867 0.436 25124 10232 1 15 . 1 1 85 85 SER C C 85 174.560 174.560 174.408 0.152 25124 10233 1 15 . 1 1 85 85 SER CA C 85 58.970 58.970 60.286 -1.316 25124 10234 1 15 . 1 1 85 85 SER CB C 85 62.829 62.829 62.980 -0.151 25124 10235 1 15 . 1 1 85 85 SER H H 85 8.016 8.016 8.291 -0.275 25124 10236 1 15 . 1 1 86 86 ASP N N 86 122.325 122.325 118.585 3.740 25124 10237 1 15 . 1 1 86 86 ASP HA H 86 4.761 4.761 4.790 -0.029 25124 10238 1 15 . 1 1 86 86 ASP C C 86 176.094 176.094 175.280 0.814 25124 10239 1 15 . 1 1 86 86 ASP CA C 86 53.627 53.627 53.938 -0.311 25124 10240 1 15 . 1 1 86 86 ASP CB C 86 40.942 40.942 40.883 0.059 25124 10241 1 15 . 1 1 86 86 ASP H H 86 8.054 8.054 7.821 0.233 25124 10242 1 15 . 1 1 87 87 LEU N N 87 122.041 122.041 122.008 0.033 25124 10243 1 15 . 1 1 87 87 LEU HA H 87 4.069 4.069 4.178 -0.109 25124 10244 1 15 . 1 1 87 87 LEU C C 87 177.892 177.892 177.425 0.467 25124 10245 1 15 . 1 1 87 87 LEU CA C 87 57.182 57.182 56.608 0.574 25124 10246 1 15 . 1 1 87 87 LEU CB C 87 42.015 42.015 42.547 -0.532 25124 10247 1 15 . 1 1 87 87 LEU H H 87 8.005 8.005 7.499 0.506 25124 10248 1 15 . 1 1 88 88 ASP N N 88 118.050 118.050 120.093 -2.043 25124 10249 1 15 . 1 1 88 88 ASP HA H 88 4.370 4.370 4.248 0.122 25124 10250 1 15 . 1 1 88 88 ASP C C 88 178.103 178.103 177.248 0.855 25124 10251 1 15 . 1 1 88 88 ASP CA C 88 56.342 56.342 57.629 -1.287 25124 10252 1 15 . 1 1 88 88 ASP CB C 88 40.280 40.280 40.261 0.019 25124 10253 1 15 . 1 1 88 88 ASP H H 88 8.243 8.243 8.670 -0.427 25124 10254 1 15 . 1 1 89 89 ALA N N 89 122.780 122.780 121.371 1.409 25124 10255 1 15 . 1 1 89 89 ALA HA H 89 4.038 4.038 3.988 0.050 25124 10256 1 15 . 1 1 89 89 ALA C C 89 178.526 178.526 178.603 -0.077 25124 10257 1 15 . 1 1 89 89 ALA CA C 89 54.655 54.655 54.037 0.618 25124 10258 1 15 . 1 1 89 89 ALA CB C 89 18.809 18.809 18.417 0.392 25124 10259 1 15 . 1 1 89 89 ALA H H 89 7.890 7.890 7.455 0.435 25124 10260 1 15 . 1 1 90 90 ALA N N 90 120.040 120.040 120.797 -0.757 25124 10261 1 15 . 1 1 90 90 ALA HA H 90 3.254 3.254 3.637 -0.383 25124 10262 1 15 . 1 1 90 90 ALA C C 90 178.976 178.976 179.039 -0.063 25124 10263 1 15 . 1 1 90 90 ALA CA C 90 55.050 55.050 54.527 0.523 25124 10264 1 15 . 1 1 90 90 ALA CB C 90 17.725 17.725 18.103 -0.378 25124 10265 1 15 . 1 1 90 90 ALA H H 90 7.513 7.513 7.702 -0.189 25124 10266 1 15 . 1 1 91 91 VAL N N 91 116.635 116.635 117.783 -1.148 25124 10267 1 15 . 1 1 91 91 VAL HA H 91 3.637 3.637 3.911 -0.274 25124 10268 1 15 . 1 1 91 91 VAL C C 91 178.632 178.632 177.539 1.093 25124 10269 1 15 . 1 1 91 91 VAL CA C 91 65.971 65.971 66.272 -0.300 25124 10270 1 15 . 1 1 91 91 VAL CB C 91 31.623 31.623 31.959 -0.336 25124 10271 1 15 . 1 1 91 91 VAL H H 91 7.877 7.877 7.214 0.663 25124 10272 1 15 . 1 1 92 92 SER N N 92 115.439 115.439 115.412 0.027 25124 10273 1 15 . 1 1 92 92 SER HA H 92 4.215 4.215 4.006 0.209 25124 10274 1 15 . 1 1 92 92 SER C C 92 175.961 175.961 176.566 -0.605 25124 10275 1 15 . 1 1 92 92 SER CA C 92 61.401 61.401 61.731 -0.330 25124 10276 1 15 . 1 1 92 92 SER CB C 92 62.966 62.966 63.122 -0.156 25124 10277 1 15 . 1 1 92 92 SER H H 92 7.912 7.912 7.493 0.419 25124 10278 1 15 . 1 1 93 93 ALA N N 93 122.647 122.647 123.338 -0.691 25124 10279 1 15 . 1 1 93 93 ALA HA H 93 3.786 3.786 3.979 -0.193 25124 10280 1 15 . 1 1 93 93 ALA C C 93 179.293 179.293 179.848 -0.555 25124 10281 1 15 . 1 1 93 93 ALA CA C 93 55.172 55.172 54.884 0.288 25124 10282 1 15 . 1 1 93 93 ALA CB C 93 17.161 17.161 17.968 -0.807 25124 10283 1 15 . 1 1 93 93 ALA H H 93 8.199 8.199 8.293 -0.094 25124 10284 1 15 . 1 1 94 94 TYR N N 94 117.796 117.796 118.705 -0.909 25124 10285 1 15 . 1 1 94 94 TYR HA H 94 4.283 4.283 4.155 0.128 25124 10286 1 15 . 1 1 94 94 TYR C C 94 179.954 179.954 179.258 0.696 25124 10287 1 15 . 1 1 94 94 TYR CA C 94 61.216 61.216 60.492 0.724 25124 10288 1 15 . 1 1 94 94 TYR CB C 94 37.716 37.716 37.678 0.038 25124 10289 1 15 . 1 1 94 94 TYR H H 94 8.065 8.065 7.419 0.646 25124 10290 1 15 . 1 1 95 95 GLN N N 95 120.057 120.057 117.539 2.518 25124 10291 1 15 . 1 1 95 95 GLN HA H 95 4.005 4.005 4.119 -0.114 25124 10292 1 15 . 1 1 95 95 GLN C C 95 177.680 177.680 177.894 -0.214 25124 10293 1 15 . 1 1 95 95 GLN CA C 95 58.471 58.471 58.322 0.150 25124 10294 1 15 . 1 1 95 95 GLN CB C 95 28.334 28.334 28.109 0.225 25124 10295 1 15 . 1 1 95 95 GLN H H 95 8.513 8.513 7.858 0.655 25124 10296 1 15 . 1 1 96 96 GLN N N 96 115.323 115.323 116.326 -1.003 25124 10297 1 15 . 1 1 96 96 GLN HA H 96 4.321 4.321 4.329 -0.008 25124 10298 1 15 . 1 1 96 96 GLN C C 96 175.538 175.538 176.181 -0.643 25124 10299 1 15 . 1 1 96 96 GLN CA C 96 55.379 55.379 55.971 -0.592 25124 10300 1 15 . 1 1 96 96 GLN CB C 96 28.915 28.915 29.843 -0.928 25124 10301 1 15 . 1 1 96 96 GLN H H 96 7.774 7.774 7.682 0.092 25124 10302 1 15 . 1 1 97 97 GLY N N 97 104.173 104.173 106.737 -2.564 25124 10303 1 15 . 1 1 97 97 GLY C C 97 175.168 175.168 173.447 1.721 25124 10304 1 15 . 1 1 97 97 GLY CA C 97 45.491 45.491 44.766 0.725 25124 10305 1 15 . 1 1 97 97 GLY H H 97 7.576 7.576 7.616 -0.040 25124 10306 1 15 . 1 1 98 98 ALA N N 98 123.484 123.484 121.213 2.271 25124 10307 1 15 . 1 1 98 98 ALA HA H 98 4.266 4.266 4.696 -0.430 25124 10308 1 15 . 1 1 98 98 ALA C C 98 176.067 176.067 176.330 -0.263 25124 10309 1 15 . 1 1 98 98 ALA CA C 98 53.008 53.008 51.083 1.925 25124 10310 1 15 . 1 1 98 98 ALA CB C 98 18.556 18.556 20.557 -2.001 25124 10311 1 15 . 1 1 98 98 ALA H H 98 8.358 8.358 7.588 0.770 25124 10312 1 15 . 1 1 99 99 PHE N N 99 123.551 123.551 120.492 3.059 25124 10313 1 15 . 1 1 99 99 PHE HA H 99 4.259 4.259 4.702 -0.443 25124 10314 1 15 . 1 1 99 99 PHE C C 99 175.432 175.432 175.176 0.256 25124 10315 1 15 . 1 1 99 99 PHE CA C 99 60.274 60.274 59.714 0.560 25124 10316 1 15 . 1 1 99 99 PHE CB C 99 40.375 40.375 41.170 -0.796 25124 10317 1 15 . 1 1 99 99 PHE H H 99 9.477 9.477 8.382 1.095 25124 10318 1 15 . 1 1 100 100 ASP N N 100 110.678 110.678 113.441 -2.763 25124 10319 1 15 . 1 1 100 100 ASP HA H 100 4.547 4.547 5.063 -0.516 25124 10320 1 15 . 1 1 100 100 ASP C C 100 173.053 173.053 173.861 -0.808 25124 10321 1 15 . 1 1 100 100 ASP CA C 100 52.527 52.527 54.045 -1.518 25124 10322 1 15 . 1 1 100 100 ASP CB C 100 44.789 44.789 43.750 1.039 25124 10323 1 15 . 1 1 100 100 ASP H H 100 7.683 7.683 8.023 -0.340 25124 10324 1 15 . 1 1 101 101 TYR N N 101 122.174 122.174 121.833 0.341 25124 10325 1 15 . 1 1 101 101 TYR HA H 101 5.425 5.425 5.218 0.207 25124 10326 1 15 . 1 1 101 101 TYR C C 101 172.550 172.550 174.305 -1.755 25124 10327 1 15 . 1 1 101 101 TYR CA C 101 55.865 55.865 56.314 -0.449 25124 10328 1 15 . 1 1 101 101 TYR CB C 101 41.760 41.760 39.538 2.222 25124 10329 1 15 . 1 1 101 101 TYR H H 101 9.874 9.874 8.489 1.385 25124 10330 1 15 . 1 1 102 102 LEU N N 102 129.337 129.337 130.130 -0.793 25124 10331 1 15 . 1 1 102 102 LEU HA H 102 4.677 4.677 4.643 0.034 25124 10332 1 15 . 1 1 102 102 LEU CA C 102 50.418 50.418 50.731 -0.313 25124 10333 1 15 . 1 1 102 102 LEU CB C 102 45.066 45.066 43.617 1.450 25124 10334 1 15 . 1 1 102 102 LEU H H 102 8.974 8.974 7.797 1.177 25124 10335 1 15 . 1 1 103 103 PRO HA H 103 4.552 4.552 4.485 0.067 25124 10336 1 15 . 1 1 103 103 PRO C C 103 176.067 176.067 175.483 0.584 25124 10337 1 15 . 1 1 103 103 PRO CA C 103 61.951 61.951 62.344 -0.393 25124 10338 1 15 . 1 1 103 103 PRO CB C 103 31.829 31.829 32.382 -0.553 25124 10339 1 15 . 1 1 104 104 LYS N N 104 118.403 118.403 119.808 -1.405 25124 10340 1 15 . 1 1 104 104 LYS HA H 104 4.459 4.459 5.018 -0.559 25124 10341 1 15 . 1 1 104 104 LYS CA C 104 53.204 53.204 53.287 -0.083 25124 10342 1 15 . 1 1 104 104 LYS CB C 104 34.500 34.500 32.014 2.486 25124 10343 1 15 . 1 1 104 104 LYS H H 104 8.013 8.013 8.047 -0.034 25124 10344 1 15 . 1 1 105 105 PRO HA H 105 4.258 4.258 4.429 -0.171 25124 10345 1 15 . 1 1 105 105 PRO C C 105 174.930 174.930 175.904 -0.974 25124 10346 1 15 . 1 1 105 105 PRO CA C 105 62.213 62.213 63.133 -0.920 25124 10347 1 15 . 1 1 105 105 PRO CB C 105 34.151 34.151 31.855 2.296 25124 10348 1 15 . 1 1 106 106 PHE N N 106 116.796 116.796 120.774 -3.978 25124 10349 1 15 . 1 1 106 106 PHE HA H 106 5.169 5.169 4.737 0.432 25124 10350 1 15 . 1 1 106 106 PHE C C 106 175.194 175.194 174.653 0.541 25124 10351 1 15 . 1 1 106 106 PHE CA C 106 53.244 53.244 55.551 -2.307 25124 10352 1 15 . 1 1 106 106 PHE CB C 106 40.477 40.477 40.683 -0.206 25124 10353 1 15 . 1 1 106 106 PHE H H 106 7.399 7.399 7.259 0.140 25124 10354 1 15 . 1 1 107 107 ASP N N 107 122.212 122.212 122.378 -0.166 25124 10355 1 15 . 1 1 107 107 ASP HA H 107 4.823 4.823 4.980 -0.157 25124 10356 1 15 . 1 1 107 107 ASP C C 107 177.812 177.812 177.430 0.382 25124 10357 1 15 . 1 1 107 107 ASP CA C 107 53.392 53.392 52.709 0.683 25124 10358 1 15 . 1 1 107 107 ASP CB C 107 42.455 42.455 41.163 1.292 25124 10359 1 15 . 1 1 107 107 ASP H H 107 9.047 9.047 8.623 0.424 25124 10360 1 15 . 1 1 108 108 ILE N N 108 127.963 127.963 122.804 5.159 25124 10361 1 15 . 1 1 108 108 ILE HA H 108 3.949 3.949 4.006 -0.057 25124 10362 1 15 . 1 1 108 108 ILE C C 108 176.226 176.226 177.066 -0.840 25124 10363 1 15 . 1 1 108 108 ILE CA C 108 63.105 63.105 64.038 -0.933 25124 10364 1 15 . 1 1 108 108 ILE CB C 108 37.665 37.665 37.482 0.183 25124 10365 1 15 . 1 1 108 108 ILE H H 108 8.898 8.898 8.594 0.304 25124 10366 1 15 . 1 1 109 109 ASP N N 109 119.804 119.804 121.085 -1.281 25124 10367 1 15 . 1 1 109 109 ASP HA H 109 4.393 4.393 4.300 0.093 25124 10368 1 15 . 1 1 109 109 ASP C C 109 179.848 179.848 178.418 1.430 25124 10369 1 15 . 1 1 109 109 ASP CA C 109 57.483 57.483 58.387 -0.904 25124 10370 1 15 . 1 1 109 109 ASP CB C 109 39.986 39.986 40.590 -0.604 25124 10371 1 15 . 1 1 109 109 ASP H H 109 8.098 8.098 8.173 -0.075 25124 10372 1 15 . 1 1 110 110 GLU N N 110 121.667 121.667 118.684 2.983 25124 10373 1 15 . 1 1 110 110 GLU HA H 110 4.085 4.085 4.299 -0.214 25124 10374 1 15 . 1 1 110 110 GLU C C 110 178.976 178.976 177.938 1.038 25124 10375 1 15 . 1 1 110 110 GLU CA C 110 58.790 58.790 58.209 0.581 25124 10376 1 15 . 1 1 110 110 GLU CB C 110 29.330 29.330 29.924 -0.594 25124 10377 1 15 . 1 1 110 110 GLU H H 110 8.059 8.059 8.078 -0.019 25124 10378 1 15 . 1 1 111 111 ALA N N 111 122.208 122.208 123.097 -0.889 25124 10379 1 15 . 1 1 111 111 ALA HA H 111 3.758 3.758 4.159 -0.401 25124 10380 1 15 . 1 1 111 111 ALA C C 111 178.605 178.605 179.493 -0.888 25124 10381 1 15 . 1 1 111 111 ALA CA C 111 55.320 55.320 54.918 0.402 25124 10382 1 15 . 1 1 111 111 ALA CB C 111 18.174 18.174 18.396 -0.222 25124 10383 1 15 . 1 1 111 111 ALA H H 111 7.903 7.903 7.571 0.332 25124 10384 1 15 . 1 1 112 112 VAL N N 112 116.429 116.429 118.951 -2.522 25124 10385 1 15 . 1 1 112 112 VAL HA H 112 3.194 3.194 3.618 -0.424 25124 10386 1 15 . 1 1 112 112 VAL C C 112 177.230 177.230 177.771 -0.541 25124 10387 1 15 . 1 1 112 112 VAL CA C 112 67.154 67.154 66.282 0.872 25124 10388 1 15 . 1 1 112 112 VAL CB C 112 31.538 31.538 31.056 0.482 25124 10389 1 15 . 1 1 112 112 VAL H H 112 8.032 8.032 8.546 -0.514 25124 10390 1 15 . 1 1 113 113 ALA N N 113 120.198 120.198 120.195 0.003 25124 10391 1 15 . 1 1 113 113 ALA HA H 113 4.159 4.159 4.289 -0.130 25124 10392 1 15 . 1 1 113 113 ALA C C 113 180.589 180.589 179.275 1.314 25124 10393 1 15 . 1 1 113 113 ALA CA C 113 54.902 54.902 54.304 0.598 25124 10394 1 15 . 1 1 113 113 ALA CB C 113 17.980 17.980 18.633 -0.653 25124 10395 1 15 . 1 1 113 113 ALA H H 113 7.723 7.723 7.890 -0.167 25124 10396 1 15 . 1 1 114 114 LEU N N 114 120.742 120.742 120.001 0.741 25124 10397 1 15 . 1 1 114 114 LEU HA H 114 4.102 4.102 4.286 -0.184 25124 10398 1 15 . 1 1 114 114 LEU C C 114 178.605 178.605 178.194 0.411 25124 10399 1 15 . 1 1 114 114 LEU CA C 114 58.181 58.181 57.202 0.980 25124 10400 1 15 . 1 1 114 114 LEU CB C 114 42.032 42.032 42.175 -0.143 25124 10401 1 15 . 1 1 114 114 LEU H H 114 7.928 7.928 7.368 0.560 25124 10402 1 15 . 1 1 115 115 VAL N N 115 119.478 119.478 118.777 0.701 25124 10403 1 15 . 1 1 115 115 VAL HA H 115 3.250 3.250 3.566 -0.316 25124 10404 1 15 . 1 1 115 115 VAL C C 115 177.548 177.548 178.133 -0.585 25124 10405 1 15 . 1 1 115 115 VAL CA C 115 67.168 67.168 67.121 0.047 25124 10406 1 15 . 1 1 115 115 VAL CB C 115 30.760 30.760 31.274 -0.514 25124 10407 1 15 . 1 1 115 115 VAL H H 115 7.846 7.846 8.368 -0.522 25124 10408 1 15 . 1 1 116 116 GLU N N 116 117.570 117.570 117.128 0.442 25124 10409 1 15 . 1 1 116 116 GLU HA H 116 3.809 3.809 4.126 -0.317 25124 10410 1 15 . 1 1 116 116 GLU C C 116 179.557 179.557 178.757 0.800 25124 10411 1 15 . 1 1 116 116 GLU CA C 116 59.974 59.974 58.231 1.743 25124 10412 1 15 . 1 1 116 116 GLU CB C 116 29.084 29.084 29.135 -0.051 25124 10413 1 15 . 1 1 116 116 GLU H H 116 8.462 8.462 8.061 0.401 25124 10414 1 15 . 1 1 117 117 ARG N N 117 120.263 120.263 119.890 0.373 25124 10415 1 15 . 1 1 117 117 ARG HA H 117 4.109 4.109 4.092 0.017 25124 10416 1 15 . 1 1 117 117 ARG C C 117 178.500 178.500 178.200 0.300 25124 10417 1 15 . 1 1 117 117 ARG CA C 117 59.411 59.411 59.604 -0.193 25124 10418 1 15 . 1 1 117 117 ARG CB C 117 30.414 30.414 30.227 0.187 25124 10419 1 15 . 1 1 117 117 ARG H H 117 8.090 8.090 7.544 0.546 25124 10420 1 15 . 1 1 118 118 ALA N N 118 122.157 122.157 119.688 2.469 25124 10421 1 15 . 1 1 118 118 ALA HA H 118 3.467 3.467 3.984 -0.517 25124 10422 1 15 . 1 1 118 118 ALA C C 118 178.632 178.632 179.542 -0.910 25124 10423 1 15 . 1 1 118 118 ALA CA C 118 54.739 54.739 53.845 0.894 25124 10424 1 15 . 1 1 118 118 ALA CB C 118 18.280 18.280 17.992 0.287 25124 10425 1 15 . 1 1 118 118 ALA H H 118 8.005 8.005 7.187 0.818 25124 10426 1 15 . 1 1 119 119 ILE N N 119 115.429 115.429 119.719 -4.290 25124 10427 1 15 . 1 1 119 119 ILE HA H 119 3.706 3.706 3.718 -0.012 25124 10428 1 15 . 1 1 119 119 ILE C C 119 177.442 177.442 178.035 -0.593 25124 10429 1 15 . 1 1 119 119 ILE CA C 119 63.910 63.910 64.701 -0.791 25124 10430 1 15 . 1 1 119 119 ILE CB C 119 37.939 37.939 37.536 0.403 25124 10431 1 15 . 1 1 119 119 ILE H H 119 7.788 7.788 7.516 0.272 25124 10432 1 15 . 1 1 120 120 SER N N 120 114.902 114.902 115.742 -0.840 25124 10433 1 15 . 1 1 120 120 SER HA H 120 4.285 4.285 4.183 0.102 25124 10434 1 15 . 1 1 120 120 SER C C 120 175.142 175.142 176.119 -0.977 25124 10435 1 15 . 1 1 120 120 SER CA C 120 59.871 59.871 61.671 -1.800 25124 10436 1 15 . 1 1 120 120 SER CB C 120 63.522 63.522 62.808 0.714 25124 10437 1 15 . 1 1 120 120 SER H H 120 7.881 7.881 8.627 -0.746 25124 10438 1 15 . 1 1 121 121 HIS N N 121 119.927 119.927 120.003 -0.076 25124 10439 1 15 . 1 1 121 121 HIS HA H 121 4.439 4.439 4.275 0.164 25124 10440 1 15 . 1 1 121 121 HIS C C 121 174.957 174.957 175.722 -0.765 25124 10441 1 15 . 1 1 121 121 HIS CA C 121 57.362 57.362 58.321 -0.959 25124 10442 1 15 . 1 1 121 121 HIS CB C 121 29.496 29.496 29.925 -0.429 25124 10443 1 15 . 1 1 121 121 HIS H H 121 7.960 7.960 7.961 -0.001 25124 10444 1 15 . 1 1 122 122 TYR N N 122 118.745 118.745 114.807 3.938 25124 10445 1 15 . 1 1 122 122 TYR HA H 122 4.455 4.455 4.575 -0.120 25124 10446 1 15 . 1 1 122 122 TYR C C 122 175.353 175.353 174.783 0.570 25124 10447 1 15 . 1 1 122 122 TYR CA C 122 58.528 58.528 58.443 0.085 25124 10448 1 15 . 1 1 122 122 TYR CB C 122 38.726 38.726 39.377 -0.651 25124 10449 1 15 . 1 1 122 122 TYR H H 122 7.776 7.776 7.541 0.235 25124 10450 1 15 . 1 1 123 123 GLN N N 123 121.424 121.424 118.222 3.202 25124 10451 1 15 . 1 1 123 123 GLN HA H 123 4.294 4.294 3.940 0.354 25124 10452 1 15 . 1 1 123 123 GLN C C 123 174.560 174.560 174.737 -0.177 25124 10453 1 15 . 1 1 123 123 GLN CA C 123 55.658 55.658 56.639 -0.981 25124 10454 1 15 . 1 1 123 123 GLN CB C 123 29.877 29.877 27.660 2.217 25124 10455 1 15 . 1 1 123 123 GLN H H 123 7.904 7.904 8.194 -0.290 25124 10456 1 16 . 1 1 2 2 GLN HA H 2 4.453 4.453 4.749 -0.296 25124 10457 1 16 . 1 1 2 2 GLN C C 2 174.930 174.930 175.103 -0.173 25124 10458 1 16 . 1 1 2 2 GLN CA C 2 55.627 55.627 54.860 0.767 25124 10459 1 16 . 1 1 2 2 GLN CB C 2 29.312 29.312 29.988 -0.676 25124 10460 1 16 . 1 1 3 3 ARG N N 3 121.349 121.349 120.109 1.240 25124 10461 1 16 . 1 1 3 3 ARG HA H 3 4.390 4.390 4.067 0.323 25124 10462 1 16 . 1 1 3 3 ARG C C 3 175.723 175.723 174.855 0.868 25124 10463 1 16 . 1 1 3 3 ARG CA C 3 56.041 56.041 56.510 -0.469 25124 10464 1 16 . 1 1 3 3 ARG CB C 3 31.395 31.395 29.898 1.497 25124 10465 1 16 . 1 1 3 3 ARG H H 3 8.451 8.451 8.649 -0.198 25124 10466 1 16 . 1 1 4 4 GLY N N 4 107.889 107.889 107.937 -0.048 25124 10467 1 16 . 1 1 4 4 GLY C C 4 171.122 171.122 172.495 -1.373 25124 10468 1 16 . 1 1 4 4 GLY CA C 4 45.333 45.333 44.267 1.066 25124 10469 1 16 . 1 1 4 4 GLY H H 4 8.037 8.037 8.048 -0.011 25124 10470 1 16 . 1 1 5 5 ILE N N 5 122.674 122.674 120.779 1.895 25124 10471 1 16 . 1 1 5 5 ILE HA H 5 4.731 4.731 3.982 0.749 25124 10472 1 16 . 1 1 5 5 ILE C C 5 175.459 175.459 174.532 0.927 25124 10473 1 16 . 1 1 5 5 ILE CA C 5 60.614 60.614 62.115 -1.501 25124 10474 1 16 . 1 1 5 5 ILE CB C 5 39.535 39.535 38.475 1.060 25124 10475 1 16 . 1 1 5 5 ILE H H 5 9.605 9.605 8.283 1.322 25124 10476 1 16 . 1 1 6 6 VAL N N 6 127.532 127.532 125.336 2.196 25124 10477 1 16 . 1 1 6 6 VAL HA H 6 4.892 4.892 4.408 0.484 25124 10478 1 16 . 1 1 6 6 VAL C C 6 174.110 174.110 174.570 -0.460 25124 10479 1 16 . 1 1 6 6 VAL CA C 6 59.255 59.255 61.165 -1.910 25124 10480 1 16 . 1 1 6 6 VAL CB C 6 34.530 34.530 32.903 1.627 25124 10481 1 16 . 1 1 6 6 VAL H H 6 9.135 9.135 8.085 1.050 25124 10482 1 16 . 1 1 7 7 TRP N N 7 127.409 127.409 128.961 -1.552 25124 10483 1 16 . 1 1 7 7 TRP HA H 7 6.447 6.447 5.598 0.849 25124 10484 1 16 . 1 1 7 7 TRP C C 7 175.089 175.089 175.563 -0.474 25124 10485 1 16 . 1 1 7 7 TRP CA C 7 52.797 52.797 53.903 -1.106 25124 10486 1 16 . 1 1 7 7 TRP CB C 7 33.255 33.255 30.807 2.448 25124 10487 1 16 . 1 1 7 7 TRP H H 7 8.544 8.544 8.080 0.464 25124 10488 1 16 . 1 1 8 8 VAL N N 8 122.270 122.270 124.466 -2.196 25124 10489 1 16 . 1 1 8 8 VAL HA H 8 5.135 5.135 4.444 0.691 25124 10490 1 16 . 1 1 8 8 VAL C C 8 173.820 173.820 174.078 -0.258 25124 10491 1 16 . 1 1 8 8 VAL CA C 8 60.457 60.457 61.570 -1.113 25124 10492 1 16 . 1 1 8 8 VAL CB C 8 35.893 35.893 33.745 2.148 25124 10493 1 16 . 1 1 8 8 VAL H H 8 8.643 8.643 8.583 0.060 25124 10494 1 16 . 1 1 9 9 VAL N N 9 126.806 126.806 128.245 -1.439 25124 10495 1 16 . 1 1 9 9 VAL HA H 9 5.192 5.192 4.410 0.782 25124 10496 1 16 . 1 1 9 9 VAL C C 9 172.550 172.550 173.619 -1.069 25124 10497 1 16 . 1 1 9 9 VAL CA C 9 58.384 58.384 61.145 -2.761 25124 10498 1 16 . 1 1 9 9 VAL CB C 9 34.135 34.135 32.997 1.138 25124 10499 1 16 . 1 1 9 9 VAL H H 9 9.113 9.113 7.988 1.125 25124 10500 1 16 . 1 1 10 10 ASP N N 10 125.011 125.011 125.625 -0.614 25124 10501 1 16 . 1 1 10 10 ASP HA H 10 4.554 4.554 5.036 -0.482 25124 10502 1 16 . 1 1 10 10 ASP C C 10 174.877 174.877 174.319 0.558 25124 10503 1 16 . 1 1 10 10 ASP CA C 10 55.066 55.066 53.149 1.917 25124 10504 1 16 . 1 1 10 10 ASP CB C 10 44.131 44.131 44.086 0.045 25124 10505 1 16 . 1 1 10 10 ASP H H 10 7.881 7.881 8.155 -0.274 25124 10506 1 16 . 1 1 11 11 ASP N N 11 124.048 124.048 120.567 3.481 25124 10507 1 16 . 1 1 11 11 ASP HA H 11 4.613 4.613 4.913 -0.300 25124 10508 1 16 . 1 1 11 11 ASP C C 11 175.089 175.089 174.767 0.322 25124 10509 1 16 . 1 1 11 11 ASP CA C 11 55.346 55.346 53.625 1.721 25124 10510 1 16 . 1 1 11 11 ASP CB C 11 39.583 39.583 40.588 -1.005 25124 10511 1 16 . 1 1 11 11 ASP H H 11 9.166 9.166 8.546 0.620 25124 10512 1 16 . 1 1 12 12 ASP N N 12 125.165 125.165 121.851 3.314 25124 10513 1 16 . 1 1 12 12 ASP HA H 12 4.757 4.757 4.689 0.068 25124 10514 1 16 . 1 1 12 12 ASP C C 12 176.993 176.993 175.768 1.225 25124 10515 1 16 . 1 1 12 12 ASP CA C 12 53.112 53.112 54.731 -1.619 25124 10516 1 16 . 1 1 12 12 ASP CB C 12 41.072 41.072 43.314 -2.242 25124 10517 1 16 . 1 1 12 12 ASP H H 12 10.290 10.290 7.602 2.688 25124 10518 1 16 . 1 1 13 13 SER N N 13 123.818 123.818 120.057 3.761 25124 10519 1 16 . 1 1 13 13 SER HA H 13 3.719 3.719 4.311 -0.592 25124 10520 1 16 . 1 1 13 13 SER C C 13 176.146 176.146 176.087 0.059 25124 10521 1 16 . 1 1 13 13 SER CA C 13 61.341 61.341 60.126 1.216 25124 10522 1 16 . 1 1 13 13 SER CB C 13 62.638 62.638 63.461 -0.823 25124 10523 1 16 . 1 1 13 13 SER H H 13 8.993 8.993 8.727 0.266 25124 10524 1 16 . 1 1 14 14 SER N N 14 118.714 118.714 117.533 1.181 25124 10525 1 16 . 1 1 14 14 SER HA H 14 4.322 4.322 4.390 -0.068 25124 10526 1 16 . 1 1 14 14 SER C C 14 176.411 176.411 176.271 0.140 25124 10527 1 16 . 1 1 14 14 SER CA C 14 61.717 61.717 61.571 0.146 25124 10528 1 16 . 1 1 14 14 SER CB C 14 62.554 62.554 63.110 -0.556 25124 10529 1 16 . 1 1 14 14 SER H H 14 8.499 8.499 7.969 0.530 25124 10530 1 16 . 1 1 15 15 ILE N N 15 122.822 122.822 118.900 3.922 25124 10531 1 16 . 1 1 15 15 ILE HA H 15 3.972 3.972 4.032 -0.060 25124 10532 1 16 . 1 1 15 15 ILE C C 15 177.786 177.786 177.802 -0.016 25124 10533 1 16 . 1 1 15 15 ILE CA C 15 60.784 60.784 62.133 -1.349 25124 10534 1 16 . 1 1 15 15 ILE CB C 15 36.016 36.016 37.044 -1.028 25124 10535 1 16 . 1 1 15 15 ILE H H 15 7.011 7.011 7.413 -0.402 25124 10536 1 16 . 1 1 16 16 ARG N N 16 116.580 116.580 120.362 -3.782 25124 10537 1 16 . 1 1 16 16 ARG HA H 16 3.711 3.711 4.114 -0.403 25124 10538 1 16 . 1 1 16 16 ARG C C 16 177.336 177.336 178.373 -1.037 25124 10539 1 16 . 1 1 16 16 ARG CA C 16 61.632 61.632 59.649 1.983 25124 10540 1 16 . 1 1 16 16 ARG CB C 16 30.520 30.520 30.038 0.482 25124 10541 1 16 . 1 1 16 16 ARG H H 16 7.370 7.370 7.585 -0.215 25124 10542 1 16 . 1 1 17 17 TRP N N 17 116.893 116.893 122.035 -5.142 25124 10543 1 16 . 1 1 17 17 TRP HA H 17 4.481 4.481 4.376 0.105 25124 10544 1 16 . 1 1 17 17 TRP C C 17 178.394 178.394 177.677 0.717 25124 10545 1 16 . 1 1 17 17 TRP CA C 17 60.482 60.482 61.471 -0.989 25124 10546 1 16 . 1 1 17 17 TRP CB C 17 29.372 29.372 29.301 0.071 25124 10547 1 16 . 1 1 17 17 TRP H H 17 8.020 8.020 8.601 -0.581 25124 10548 1 16 . 1 1 18 18 VAL N N 18 116.799 116.799 116.361 0.438 25124 10549 1 16 . 1 1 18 18 VAL HA H 18 3.662 3.662 2.699 0.963 25124 10550 1 16 . 1 1 18 18 VAL C C 18 179.161 179.161 177.777 1.384 25124 10551 1 16 . 1 1 18 18 VAL CA C 18 65.858 65.858 65.100 0.758 25124 10552 1 16 . 1 1 18 18 VAL CB C 18 31.792 31.792 30.408 1.384 25124 10553 1 16 . 1 1 18 18 VAL H H 18 8.085 8.085 7.517 0.568 25124 10554 1 16 . 1 1 19 19 LEU N N 19 119.595 119.595 120.825 -1.230 25124 10555 1 16 . 1 1 19 19 LEU HA H 19 4.083 4.083 3.846 0.237 25124 10556 1 16 . 1 1 19 19 LEU C C 19 177.759 177.759 178.699 -0.940 25124 10557 1 16 . 1 1 19 19 LEU CA C 19 57.971 57.971 57.782 0.189 25124 10558 1 16 . 1 1 19 19 LEU CB C 19 41.863 41.863 41.634 0.229 25124 10559 1 16 . 1 1 19 19 LEU H H 19 8.035 8.035 7.284 0.751 25124 10560 1 16 . 1 1 20 20 GLU N N 20 120.318 120.318 120.135 0.183 25124 10561 1 16 . 1 1 20 20 GLU HA H 20 4.007 4.007 3.833 0.174 25124 10562 1 16 . 1 1 20 20 GLU C C 20 178.500 178.500 178.913 -0.413 25124 10563 1 16 . 1 1 20 20 GLU CA C 20 60.567 60.567 59.948 0.619 25124 10564 1 16 . 1 1 20 20 GLU CB C 20 29.073 29.073 29.596 -0.523 25124 10565 1 16 . 1 1 20 20 GLU H H 20 8.417 8.417 8.534 -0.117 25124 10566 1 16 . 1 1 21 21 ARG N N 21 115.981 115.981 117.089 -1.108 25124 10567 1 16 . 1 1 21 21 ARG HA H 21 3.898 3.898 3.935 -0.037 25124 10568 1 16 . 1 1 21 21 ARG C C 21 179.769 179.769 177.873 1.896 25124 10569 1 16 . 1 1 21 21 ARG CA C 21 58.491 58.491 58.565 -0.074 25124 10570 1 16 . 1 1 21 21 ARG CB C 21 29.966 29.966 29.488 0.478 25124 10571 1 16 . 1 1 21 21 ARG H H 21 7.579 7.579 8.252 -0.673 25124 10572 1 16 . 1 1 22 22 ALA N N 22 122.267 122.267 121.888 0.379 25124 10573 1 16 . 1 1 22 22 ALA HA H 22 4.110 4.110 4.181 -0.071 25124 10574 1 16 . 1 1 22 22 ALA C C 22 180.456 180.456 179.562 0.894 25124 10575 1 16 . 1 1 22 22 ALA CA C 22 54.643 54.643 54.072 0.571 25124 10576 1 16 . 1 1 22 22 ALA CB C 22 19.225 19.225 18.901 0.324 25124 10577 1 16 . 1 1 22 22 ALA H H 22 7.933 7.933 7.556 0.377 25124 10578 1 16 . 1 1 23 23 LEU N N 23 118.139 118.139 119.964 -1.825 25124 10579 1 16 . 1 1 23 23 LEU HA H 23 4.005 4.005 3.896 0.109 25124 10580 1 16 . 1 1 23 23 LEU C C 23 178.843 178.843 179.236 -0.393 25124 10581 1 16 . 1 1 23 23 LEU CA C 23 57.765 57.765 57.896 -0.131 25124 10582 1 16 . 1 1 23 23 LEU CB C 23 39.919 39.919 41.482 -1.563 25124 10583 1 16 . 1 1 23 23 LEU H H 23 8.855 8.855 8.712 0.143 25124 10584 1 16 . 1 1 24 24 ALA N N 24 122.164 122.164 119.870 2.294 25124 10585 1 16 . 1 1 24 24 ALA HA H 24 4.665 4.665 4.029 0.636 25124 10586 1 16 . 1 1 24 24 ALA C C 24 183.206 183.206 179.691 3.515 25124 10587 1 16 . 1 1 24 24 ALA CA C 24 54.812 54.812 54.616 0.196 25124 10588 1 16 . 1 1 24 24 ALA CB C 24 17.820 17.820 18.299 -0.479 25124 10589 1 16 . 1 1 24 24 ALA H H 24 8.238 8.238 8.151 0.087 25124 10590 1 16 . 1 1 25 25 GLY N N 25 106.903 106.903 105.829 1.074 25124 10591 1 16 . 1 1 25 25 GLY C C 25 174.375 174.375 175.511 -1.136 25124 10592 1 16 . 1 1 25 25 GLY CA C 25 46.550 46.550 45.614 0.936 25124 10593 1 16 . 1 1 25 25 GLY H H 25 7.907 7.907 7.690 0.217 25124 10594 1 16 . 1 1 26 26 ALA N N 26 121.832 121.832 122.209 -0.377 25124 10595 1 16 . 1 1 26 26 ALA HA H 26 4.505 4.505 4.428 0.077 25124 10596 1 16 . 1 1 26 26 ALA CA C 26 51.585 51.585 51.933 -0.348 25124 10597 1 16 . 1 1 26 26 ALA CB C 26 18.799 18.799 19.160 -0.361 25124 10598 1 16 . 1 1 26 26 ALA H H 26 7.316 7.316 7.941 -0.625 25124 10599 1 16 . 1 1 27 27 GLY N N 27 106.146 106.146 106.580 -0.434 25124 10600 1 16 . 1 1 27 27 GLY C C 27 174.057 174.057 174.560 -0.503 25124 10601 1 16 . 1 1 27 27 GLY CA C 27 45.333 45.333 45.130 0.203 25124 10602 1 16 . 1 1 27 27 GLY H H 27 7.868 7.868 7.986 -0.117 25124 10603 1 16 . 1 1 28 28 LEU N N 28 120.273 120.273 121.726 -1.453 25124 10604 1 16 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.128 0.447 25124 10605 1 16 . 1 1 28 28 LEU C C 28 175.988 175.988 177.342 -1.354 25124 10606 1 16 . 1 1 28 28 LEU CA C 28 53.881 53.881 55.090 -1.209 25124 10607 1 16 . 1 1 28 28 LEU CB C 28 42.540 42.540 41.974 0.566 25124 10608 1 16 . 1 1 28 28 LEU H H 28 7.659 7.659 7.539 0.120 25124 10609 1 16 . 1 1 29 29 THR N N 29 118.173 118.173 118.428 -0.255 25124 10610 1 16 . 1 1 29 29 THR HA H 29 4.346 4.346 4.240 0.106 25124 10611 1 16 . 1 1 29 29 THR C C 29 173.344 173.344 173.863 -0.519 25124 10612 1 16 . 1 1 29 29 THR CA C 29 62.598 62.598 63.646 -1.048 25124 10613 1 16 . 1 1 29 29 THR CB C 29 69.423 69.423 69.290 0.133 25124 10614 1 16 . 1 1 29 29 THR H H 29 8.562 8.562 8.341 0.221 25124 10615 1 16 . 1 1 30 30 CYS N N 30 128.450 128.450 127.476 0.974 25124 10616 1 16 . 1 1 30 30 CYS HA H 30 6.012 6.012 4.796 1.216 25124 10617 1 16 . 1 1 30 30 CYS C C 30 173.978 173.978 174.082 -0.104 25124 10618 1 16 . 1 1 30 30 CYS CA C 30 56.424 56.424 57.303 -0.879 25124 10619 1 16 . 1 1 30 30 CYS CB C 30 29.615 29.615 28.471 1.144 25124 10620 1 16 . 1 1 30 30 CYS H H 30 9.035 9.035 8.637 0.398 25124 10621 1 16 . 1 1 31 31 THR N N 31 126.377 126.377 125.962 0.415 25124 10622 1 16 . 1 1 31 31 THR HA H 31 4.442 4.442 4.555 -0.113 25124 10623 1 16 . 1 1 31 31 THR C C 31 172.683 172.683 173.086 -0.403 25124 10624 1 16 . 1 1 31 31 THR CA C 31 61.956 61.956 61.787 0.169 25124 10625 1 16 . 1 1 31 31 THR CB C 31 70.624 70.624 71.116 -0.492 25124 10626 1 16 . 1 1 31 31 THR H H 31 8.510 8.510 8.450 0.060 25124 10627 1 16 . 1 1 32 32 THR N N 32 115.988 115.988 116.095 -0.107 25124 10628 1 16 . 1 1 32 32 THR HA H 32 5.454 5.454 4.613 0.841 25124 10629 1 16 . 1 1 32 32 THR C C 32 172.259 172.259 172.477 -0.218 25124 10630 1 16 . 1 1 32 32 THR CA C 32 59.101 59.101 60.176 -1.075 25124 10631 1 16 . 1 1 32 32 THR CB C 32 71.173 71.173 71.467 -0.294 25124 10632 1 16 . 1 1 32 32 THR H H 32 8.301 8.301 7.936 0.365 25124 10633 1 16 . 1 1 33 33 PHE N N 33 117.690 117.690 117.729 -0.039 25124 10634 1 16 . 1 1 33 33 PHE HA H 33 4.723 4.723 4.655 0.068 25124 10635 1 16 . 1 1 33 33 PHE C C 33 174.507 174.507 174.162 0.345 25124 10636 1 16 . 1 1 33 33 PHE CA C 33 56.504 56.504 59.083 -2.579 25124 10637 1 16 . 1 1 33 33 PHE CB C 33 43.589 43.589 40.479 3.110 25124 10638 1 16 . 1 1 33 33 PHE H H 33 8.834 8.834 8.332 0.502 25124 10639 1 16 . 1 1 34 34 GLU N N 34 118.296 118.296 113.976 4.320 25124 10640 1 16 . 1 1 34 34 GLU HA H 34 4.451 4.451 4.576 -0.125 25124 10641 1 16 . 1 1 34 34 GLU C C 34 174.957 174.957 174.300 0.657 25124 10642 1 16 . 1 1 34 34 GLU CA C 34 56.661 56.661 56.697 -0.036 25124 10643 1 16 . 1 1 34 34 GLU CB C 34 31.792 31.792 31.474 0.319 25124 10644 1 16 . 1 1 34 34 GLU H H 34 9.096 9.096 8.345 0.751 25124 10645 1 16 . 1 1 35 35 ASN N N 35 108.486 108.486 116.587 -8.101 25124 10646 1 16 . 1 1 35 35 ASN HA H 35 4.960 4.960 5.096 -0.136 25124 10647 1 16 . 1 1 35 35 ASN C C 35 175.353 175.353 176.399 -1.046 25124 10648 1 16 . 1 1 35 35 ASN CA C 35 52.364 52.364 52.000 0.364 25124 10649 1 16 . 1 1 35 35 ASN CB C 35 40.932 40.932 41.232 -0.300 25124 10650 1 16 . 1 1 35 35 ASN H H 35 7.286 7.286 7.813 -0.527 25124 10651 1 16 . 1 1 36 36 GLY N N 36 105.329 105.329 108.898 -3.569 25124 10652 1 16 . 1 1 36 36 GLY C C 36 174.586 174.586 175.573 -0.987 25124 10653 1 16 . 1 1 36 36 GLY CA C 36 47.533 47.533 47.351 0.182 25124 10654 1 16 . 1 1 36 36 GLY H H 36 9.369 9.369 8.683 0.686 25124 10655 1 16 . 1 1 37 37 ASN N N 37 120.396 120.396 118.467 1.929 25124 10656 1 16 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.284 0.078 25124 10657 1 16 . 1 1 37 37 ASN C C 37 178.791 178.791 177.644 1.147 25124 10658 1 16 . 1 1 37 37 ASN CA C 37 56.843 56.843 56.246 0.597 25124 10659 1 16 . 1 1 37 37 ASN CB C 37 37.716 37.716 38.186 -0.470 25124 10660 1 16 . 1 1 37 37 ASN H H 37 8.440 8.440 8.477 -0.037 25124 10661 1 16 . 1 1 38 38 GLU N N 38 119.334 119.334 119.587 -0.253 25124 10662 1 16 . 1 1 38 38 GLU HA H 38 4.058 4.058 3.861 0.197 25124 10663 1 16 . 1 1 38 38 GLU C C 38 179.372 179.372 178.793 0.579 25124 10664 1 16 . 1 1 38 38 GLU CA C 38 58.790 58.790 59.250 -0.460 25124 10665 1 16 . 1 1 38 38 GLU CB C 38 30.692 30.692 29.420 1.272 25124 10666 1 16 . 1 1 38 38 GLU H H 38 8.063 8.063 7.647 0.416 25124 10667 1 16 . 1 1 39 39 VAL N N 39 119.047 119.047 119.659 -0.612 25124 10668 1 16 . 1 1 39 39 VAL HA H 39 2.599 2.599 2.696 -0.097 25124 10669 1 16 . 1 1 39 39 VAL C C 39 176.807 176.807 177.585 -0.778 25124 10670 1 16 . 1 1 39 39 VAL CA C 39 65.222 65.222 65.277 -0.055 25124 10671 1 16 . 1 1 39 39 VAL CB C 39 31.078 31.078 30.858 0.220 25124 10672 1 16 . 1 1 39 39 VAL H H 39 6.844 6.844 7.128 -0.284 25124 10673 1 16 . 1 1 40 40 LEU N N 40 118.385 118.385 121.101 -2.716 25124 10674 1 16 . 1 1 40 40 LEU HA H 40 3.929 3.929 3.838 0.091 25124 10675 1 16 . 1 1 40 40 LEU C C 40 179.584 179.584 178.106 1.478 25124 10676 1 16 . 1 1 40 40 LEU CA C 40 57.943 57.943 58.009 -0.066 25124 10677 1 16 . 1 1 40 40 LEU CB C 40 40.932 40.932 40.271 0.661 25124 10678 1 16 . 1 1 40 40 LEU H H 40 7.715 7.715 7.892 -0.177 25124 10679 1 16 . 1 1 41 41 ALA N N 41 120.091 120.091 120.064 0.027 25124 10680 1 16 . 1 1 41 41 ALA HA H 41 4.158 4.158 3.894 0.264 25124 10681 1 16 . 1 1 41 41 ALA C C 41 180.562 180.562 179.376 1.186 25124 10682 1 16 . 1 1 41 41 ALA CA C 41 54.717 54.717 54.987 -0.270 25124 10683 1 16 . 1 1 41 41 ALA CB C 41 17.853 17.853 17.864 -0.011 25124 10684 1 16 . 1 1 41 41 ALA H H 41 7.671 7.671 7.715 -0.044 25124 10685 1 16 . 1 1 42 42 ALA N N 42 122.650 122.650 120.767 1.883 25124 10686 1 16 . 1 1 42 42 ALA HA H 42 4.221 4.221 4.211 0.010 25124 10687 1 16 . 1 1 42 42 ALA C C 42 180.166 180.166 179.615 0.551 25124 10688 1 16 . 1 1 42 42 ALA CA C 42 54.974 54.974 54.108 0.866 25124 10689 1 16 . 1 1 42 42 ALA CB C 42 19.488 19.488 18.085 1.403 25124 10690 1 16 . 1 1 42 42 ALA H H 42 7.573 7.573 7.062 0.511 25124 10691 1 16 . 1 1 43 43 LEU N N 43 119.321 119.321 121.583 -2.262 25124 10692 1 16 . 1 1 43 43 LEU HA H 43 5.260 5.260 4.566 0.694 25124 10693 1 16 . 1 1 43 43 LEU C C 43 177.389 177.389 179.867 -2.478 25124 10694 1 16 . 1 1 43 43 LEU CA C 43 55.446 55.446 58.101 -2.655 25124 10695 1 16 . 1 1 43 43 LEU CB C 43 42.879 42.879 41.895 0.984 25124 10696 1 16 . 1 1 43 43 LEU H H 43 8.289 8.289 8.440 -0.151 25124 10697 1 16 . 1 1 44 44 ALA N N 44 118.995 118.995 118.971 0.024 25124 10698 1 16 . 1 1 44 44 ALA HA H 44 4.232 4.232 3.989 0.243 25124 10699 1 16 . 1 1 44 44 ALA C C 44 178.738 178.738 179.107 -0.369 25124 10700 1 16 . 1 1 44 44 ALA CA C 44 54.353 54.353 54.693 -0.340 25124 10701 1 16 . 1 1 44 44 ALA CB C 44 18.674 18.674 18.538 0.136 25124 10702 1 16 . 1 1 44 44 ALA H H 44 7.307 7.307 8.092 -0.785 25124 10703 1 16 . 1 1 45 45 SER N N 45 108.530 108.530 113.052 -4.522 25124 10704 1 16 . 1 1 45 45 SER HA H 45 4.761 4.761 4.363 0.398 25124 10705 1 16 . 1 1 45 45 SER C C 45 173.344 173.344 175.234 -1.890 25124 10706 1 16 . 1 1 45 45 SER CA C 45 58.682 58.682 60.569 -1.887 25124 10707 1 16 . 1 1 45 45 SER CB C 45 65.446 65.446 64.054 1.392 25124 10708 1 16 . 1 1 45 45 SER H H 45 7.772 7.772 7.850 -0.078 25124 10709 1 16 . 1 1 46 46 LYS N N 46 122.965 122.965 117.373 5.592 25124 10710 1 16 . 1 1 46 46 LYS HA H 46 4.608 4.608 4.589 0.019 25124 10711 1 16 . 1 1 46 46 LYS C C 46 172.815 172.815 174.140 -1.325 25124 10712 1 16 . 1 1 46 46 LYS CA C 46 55.601 55.601 55.547 0.054 25124 10713 1 16 . 1 1 46 46 LYS CB C 46 36.399 36.399 35.765 0.634 25124 10714 1 16 . 1 1 46 46 LYS H H 46 8.096 8.096 8.701 -0.605 25124 10715 1 16 . 1 1 47 47 THR N N 47 111.524 111.524 114.047 -2.523 25124 10716 1 16 . 1 1 47 47 THR HA H 47 4.307 4.307 4.532 -0.225 25124 10717 1 16 . 1 1 47 47 THR CA C 47 57.896 57.896 58.174 -0.278 25124 10718 1 16 . 1 1 47 47 THR CB C 47 70.570 70.570 69.668 0.902 25124 10719 1 16 . 1 1 47 47 THR H H 47 7.708 7.708 8.186 -0.478 25124 10720 1 16 . 1 1 48 48 PRO HA H 48 3.944 3.944 4.188 -0.244 25124 10721 1 16 . 1 1 48 48 PRO C C 48 173.079 173.079 175.631 -2.552 25124 10722 1 16 . 1 1 48 48 PRO CA C 48 60.922 60.922 62.320 -1.398 25124 10723 1 16 . 1 1 48 48 PRO CB C 48 30.353 30.353 32.063 -1.710 25124 10724 1 16 . 1 1 49 49 ASP N N 49 115.001 115.001 119.021 -4.020 25124 10725 1 16 . 1 1 49 49 ASP HA H 49 4.460 4.460 4.605 -0.145 25124 10726 1 16 . 1 1 49 49 ASP C C 49 175.591 175.591 175.457 0.134 25124 10727 1 16 . 1 1 49 49 ASP CA C 49 56.504 56.504 54.750 1.754 25124 10728 1 16 . 1 1 49 49 ASP CB C 49 42.625 42.625 42.533 0.092 25124 10729 1 16 . 1 1 49 49 ASP H H 49 8.535 8.535 8.134 0.401 25124 10730 1 16 . 1 1 50 50 VAL N N 50 111.832 111.832 114.719 -2.887 25124 10731 1 16 . 1 1 50 50 VAL HA H 50 4.316 4.316 4.409 -0.093 25124 10732 1 16 . 1 1 50 50 VAL C C 50 171.572 171.572 173.190 -1.618 25124 10733 1 16 . 1 1 50 50 VAL CA C 50 60.398 60.398 61.461 -1.062 25124 10734 1 16 . 1 1 50 50 VAL CB C 50 34.650 34.650 34.729 -0.079 25124 10735 1 16 . 1 1 50 50 VAL H H 50 7.194 7.194 7.235 -0.041 25124 10736 1 16 . 1 1 51 51 LEU N N 51 127.785 127.785 125.764 2.021 25124 10737 1 16 . 1 1 51 51 LEU HA H 51 5.376 5.376 5.453 -0.077 25124 10738 1 16 . 1 1 51 51 LEU C C 51 173.264 173.264 174.354 -1.090 25124 10739 1 16 . 1 1 51 51 LEU CA C 51 53.137 53.137 53.763 -0.626 25124 10740 1 16 . 1 1 51 51 LEU CB C 51 46.680 46.680 46.449 0.231 25124 10741 1 16 . 1 1 51 51 LEU H H 51 8.049 8.049 8.336 -0.287 25124 10742 1 16 . 1 1 52 52 LEU N N 52 128.943 128.943 125.054 3.889 25124 10743 1 16 . 1 1 52 52 LEU HA H 52 5.312 5.312 5.368 -0.056 25124 10744 1 16 . 1 1 52 52 LEU C C 52 174.692 174.692 176.907 -2.215 25124 10745 1 16 . 1 1 52 52 LEU CA C 52 54.313 54.313 53.587 0.726 25124 10746 1 16 . 1 1 52 52 LEU CB C 52 43.961 43.961 41.628 2.333 25124 10747 1 16 . 1 1 52 52 LEU H H 52 9.278 9.278 8.123 1.155 25124 10748 1 16 . 1 1 53 53 SER N N 53 116.717 116.717 117.924 -1.207 25124 10749 1 16 . 1 1 53 53 SER HA H 53 5.395 5.395 4.601 0.794 25124 10750 1 16 . 1 1 53 53 SER C C 53 173.608 173.608 173.505 0.103 25124 10751 1 16 . 1 1 53 53 SER CA C 53 56.226 56.226 57.707 -1.481 25124 10752 1 16 . 1 1 53 53 SER CB C 53 65.753 65.753 64.739 1.014 25124 10753 1 16 . 1 1 53 53 SER H H 53 9.256 9.256 8.018 1.238 25124 10754 1 16 . 1 1 54 54 ASP N N 54 127.909 127.909 117.328 10.581 25124 10755 1 16 . 1 1 54 54 ASP HA H 54 5.622 5.622 5.214 0.408 25124 10756 1 16 . 1 1 54 54 ASP C C 54 175.723 175.723 175.416 0.307 25124 10757 1 16 . 1 1 54 54 ASP CA C 54 53.268 53.268 52.762 0.506 25124 10758 1 16 . 1 1 54 54 ASP CB C 54 44.386 44.386 44.400 -0.014 25124 10759 1 16 . 1 1 54 54 ASP H H 54 8.219 8.219 8.367 -0.148 25124 10760 1 16 . 1 1 55 55 ILE N N 55 117.015 117.015 116.194 0.821 25124 10761 1 16 . 1 1 55 55 ILE HA H 55 4.116 4.116 4.528 -0.412 25124 10762 1 16 . 1 1 55 55 ILE C C 55 176.913 176.913 174.580 2.333 25124 10763 1 16 . 1 1 55 55 ILE CA C 55 65.290 65.290 59.856 5.434 25124 10764 1 16 . 1 1 55 55 ILE CB C 55 38.487 38.487 36.650 1.837 25124 10765 1 16 . 1 1 55 55 ILE H H 55 7.812 7.812 8.440 -0.628 25124 10766 1 16 . 1 1 56 56 ARG N N 56 117.365 117.365 122.839 -5.474 25124 10767 1 16 . 1 1 56 56 ARG HA H 56 4.379 4.379 4.440 -0.061 25124 10768 1 16 . 1 1 56 56 ARG C C 56 172.788 172.788 174.303 -1.515 25124 10769 1 16 . 1 1 56 56 ARG CA C 56 57.034 57.034 56.245 0.789 25124 10770 1 16 . 1 1 56 56 ARG CB C 56 27.600 27.600 29.773 -2.173 25124 10771 1 16 . 1 1 56 56 ARG H H 56 8.991 8.991 7.605 1.386 25124 10772 1 16 . 1 1 57 57 MET N N 57 129.539 129.539 120.120 9.419 25124 10773 1 16 . 1 1 57 57 MET HA H 57 4.767 4.767 5.051 -0.284 25124 10774 1 16 . 1 1 57 57 MET CA C 57 53.641 53.641 53.626 0.015 25124 10775 1 16 . 1 1 57 57 MET CB C 57 36.484 36.484 33.454 3.030 25124 10776 1 16 . 1 1 57 57 MET H H 57 7.501 7.501 7.882 -0.381 25124 10777 1 16 . 1 1 58 58 PRO HA H 58 4.379 4.379 4.436 -0.057 25124 10778 1 16 . 1 1 58 58 PRO C C 58 177.495 177.495 177.592 -0.097 25124 10779 1 16 . 1 1 58 58 PRO CA C 58 63.104 63.104 63.858 -0.753 25124 10780 1 16 . 1 1 58 58 PRO CB C 58 31.922 31.922 32.234 -0.312 25124 10781 1 16 . 1 1 59 59 GLY N N 59 112.312 112.312 107.684 4.628 25124 10782 1 16 . 1 1 59 59 GLY C C 59 173.793 173.793 174.406 -0.613 25124 10783 1 16 . 1 1 59 59 GLY CA C 59 46.430 46.430 46.306 0.124 25124 10784 1 16 . 1 1 59 59 GLY H H 59 8.656 8.656 8.636 0.020 25124 10785 1 16 . 1 1 60 60 MET N N 60 124.343 124.343 118.478 5.865 25124 10786 1 16 . 1 1 60 60 MET HA H 60 4.344 4.344 4.580 -0.236 25124 10787 1 16 . 1 1 60 60 MET C C 60 174.190 174.190 174.911 -0.721 25124 10788 1 16 . 1 1 60 60 MET CA C 60 55.871 55.871 55.642 0.229 25124 10789 1 16 . 1 1 60 60 MET CB C 60 34.955 34.955 34.509 0.446 25124 10790 1 16 . 1 1 60 60 MET H H 60 7.778 7.778 8.290 -0.512 25124 10791 1 16 . 1 1 61 61 ASP N N 61 124.993 124.993 113.883 11.110 25124 10792 1 16 . 1 1 61 61 ASP HA H 61 4.870 4.870 4.698 0.172 25124 10793 1 16 . 1 1 61 61 ASP C C 61 176.966 176.966 175.039 1.927 25124 10794 1 16 . 1 1 61 61 ASP CA C 61 53.490 53.490 53.638 -0.148 25124 10795 1 16 . 1 1 61 61 ASP CB C 61 42.347 42.347 41.565 0.782 25124 10796 1 16 . 1 1 61 61 ASP H H 61 8.378 8.378 7.752 0.626 25124 10797 1 16 . 1 1 62 62 GLY N N 62 105.163 105.163 105.331 -0.168 25124 10798 1 16 . 1 1 62 62 GLY C C 62 175.935 175.935 175.960 -0.025 25124 10799 1 16 . 1 1 62 62 GLY CA C 62 46.755 46.755 45.109 1.646 25124 10800 1 16 . 1 1 62 62 GLY H H 62 10.153 10.153 8.284 1.869 25124 10801 1 16 . 1 1 63 63 LEU N N 63 120.509 120.509 122.021 -1.512 25124 10802 1 16 . 1 1 63 63 LEU HA H 63 4.293 4.293 4.046 0.247 25124 10803 1 16 . 1 1 63 63 LEU C C 63 179.293 179.293 178.565 0.728 25124 10804 1 16 . 1 1 63 63 LEU CA C 63 57.148 57.148 57.581 -0.433 25124 10805 1 16 . 1 1 63 63 LEU CB C 63 40.053 40.053 41.587 -1.534 25124 10806 1 16 . 1 1 63 63 LEU H H 63 8.119 8.119 8.183 -0.064 25124 10807 1 16 . 1 1 64 64 ALA N N 64 126.234 126.234 120.825 5.409 25124 10808 1 16 . 1 1 64 64 ALA HA H 64 4.112 4.112 4.080 0.032 25124 10809 1 16 . 1 1 64 64 ALA C C 64 181.223 181.223 178.826 2.397 25124 10810 1 16 . 1 1 64 64 ALA CA C 64 54.802 54.802 54.717 0.085 25124 10811 1 16 . 1 1 64 64 ALA CB C 64 18.133 18.133 17.968 0.165 25124 10812 1 16 . 1 1 64 64 ALA H H 64 8.303 8.303 7.864 0.439 25124 10813 1 16 . 1 1 65 65 LEU N N 65 120.067 120.067 118.025 2.042 25124 10814 1 16 . 1 1 65 65 LEU HA H 65 4.044 4.044 4.211 -0.167 25124 10815 1 16 . 1 1 65 65 LEU C C 65 177.548 177.548 178.869 -1.321 25124 10816 1 16 . 1 1 65 65 LEU CA C 65 58.197 58.197 57.174 1.023 25124 10817 1 16 . 1 1 65 65 LEU CB C 65 41.727 41.727 42.361 -0.634 25124 10818 1 16 . 1 1 65 65 LEU H H 65 8.398 8.398 7.204 1.194 25124 10819 1 16 . 1 1 66 66 LEU N N 66 120.890 120.890 120.875 0.015 25124 10820 1 16 . 1 1 66 66 LEU HA H 66 3.848 3.848 3.989 -0.141 25124 10821 1 16 . 1 1 66 66 LEU C C 66 177.230 177.230 178.332 -1.102 25124 10822 1 16 . 1 1 66 66 LEU CA C 66 58.736 58.736 57.396 1.340 25124 10823 1 16 . 1 1 66 66 LEU CB C 66 41.803 41.803 41.869 -0.066 25124 10824 1 16 . 1 1 66 66 LEU H H 66 8.203 8.203 8.020 0.183 25124 10825 1 16 . 1 1 67 67 LYS N N 67 116.919 116.919 118.104 -1.185 25124 10826 1 16 . 1 1 67 67 LYS HA H 67 4.004 4.004 3.970 0.034 25124 10827 1 16 . 1 1 67 67 LYS C C 67 179.452 179.452 178.599 0.853 25124 10828 1 16 . 1 1 67 67 LYS CA C 67 59.733 59.733 58.683 1.050 25124 10829 1 16 . 1 1 67 67 LYS CB C 67 32.415 32.415 32.150 0.265 25124 10830 1 16 . 1 1 67 67 LYS H H 67 7.667 7.667 8.325 -0.658 25124 10831 1 16 . 1 1 68 68 GLN N N 68 116.851 116.851 118.818 -1.967 25124 10832 1 16 . 1 1 68 68 GLN HA H 68 4.046 4.046 4.056 -0.010 25124 10833 1 16 . 1 1 68 68 GLN C C 68 179.319 179.319 178.217 1.102 25124 10834 1 16 . 1 1 68 68 GLN CA C 68 58.820 58.820 58.989 -0.169 25124 10835 1 16 . 1 1 68 68 GLN CB C 68 28.660 28.660 29.034 -0.374 25124 10836 1 16 . 1 1 68 68 GLN H H 68 7.677 7.677 7.504 0.173 25124 10837 1 16 . 1 1 69 69 ILE N N 69 120.670 120.670 115.926 4.744 25124 10838 1 16 . 1 1 69 69 ILE HA H 69 3.564 3.564 3.262 0.302 25124 10839 1 16 . 1 1 69 69 ILE C C 69 177.786 177.786 178.112 -0.326 25124 10840 1 16 . 1 1 69 69 ILE CA C 69 65.381 65.381 63.974 1.407 25124 10841 1 16 . 1 1 69 69 ILE CB C 69 37.186 37.186 36.922 0.264 25124 10842 1 16 . 1 1 69 69 ILE H H 69 8.918 8.918 7.461 1.457 25124 10843 1 16 . 1 1 70 70 LYS N N 70 118.002 118.002 120.245 -2.243 25124 10844 1 16 . 1 1 70 70 LYS HA H 70 3.936 3.936 3.973 -0.037 25124 10845 1 16 . 1 1 70 70 LYS C C 70 177.944 177.944 178.190 -0.246 25124 10846 1 16 . 1 1 70 70 LYS CA C 70 57.351 57.351 58.758 -1.407 25124 10847 1 16 . 1 1 70 70 LYS CB C 70 31.440 31.440 31.738 -0.298 25124 10848 1 16 . 1 1 70 70 LYS H H 70 8.592 8.592 7.584 1.008 25124 10849 1 16 . 1 1 71 71 GLN N N 71 114.891 114.891 115.409 -0.518 25124 10850 1 16 . 1 1 71 71 GLN HA H 71 4.063 4.063 4.247 -0.184 25124 10851 1 16 . 1 1 71 71 GLN C C 71 177.019 177.019 177.744 -0.725 25124 10852 1 16 . 1 1 71 71 GLN CA C 71 58.007 58.007 56.556 1.450 25124 10853 1 16 . 1 1 71 71 GLN CB C 71 29.168 29.168 29.379 -0.211 25124 10854 1 16 . 1 1 71 71 GLN H H 71 7.266 7.266 7.721 -0.455 25124 10855 1 16 . 1 1 72 72 ARG N N 72 116.364 116.364 119.637 -3.273 25124 10856 1 16 . 1 1 72 72 ARG HA H 72 4.130 4.130 4.256 -0.126 25124 10857 1 16 . 1 1 72 72 ARG C C 72 175.803 175.803 176.358 -0.555 25124 10858 1 16 . 1 1 72 72 ARG CA C 72 57.174 57.174 57.317 -0.143 25124 10859 1 16 . 1 1 72 72 ARG CB C 72 32.638 32.638 31.413 1.225 25124 10860 1 16 . 1 1 72 72 ARG H H 72 7.254 7.254 8.168 -0.914 25124 10861 1 16 . 1 1 73 73 HIS N N 73 116.981 116.981 111.498 5.483 25124 10862 1 16 . 1 1 73 73 HIS HA H 73 4.994 4.994 4.966 0.028 25124 10863 1 16 . 1 1 73 73 HIS CA C 73 53.252 53.252 53.286 -0.034 25124 10864 1 16 . 1 1 73 73 HIS CB C 73 31.026 31.026 29.404 1.622 25124 10865 1 16 . 1 1 73 73 HIS H H 73 8.828 8.828 7.579 1.249 25124 10866 1 16 . 1 1 74 74 PRO HA H 74 4.435 4.435 4.342 0.093 25124 10867 1 16 . 1 1 74 74 PRO C C 74 178.156 178.156 176.582 1.574 25124 10868 1 16 . 1 1 74 74 PRO CA C 74 65.284 65.284 64.144 1.140 25124 10869 1 16 . 1 1 74 74 PRO CB C 74 32.130 32.130 31.976 0.154 25124 10870 1 16 . 1 1 75 75 MET N N 75 114.676 114.676 116.776 -2.100 25124 10871 1 16 . 1 1 75 75 MET HA H 75 4.587 4.587 4.484 0.103 25124 10872 1 16 . 1 1 75 75 MET C C 75 176.067 176.067 175.540 0.527 25124 10873 1 16 . 1 1 75 75 MET CA C 75 54.304 54.304 55.234 -0.930 25124 10874 1 16 . 1 1 75 75 MET CB C 75 31.623 31.623 32.622 -0.999 25124 10875 1 16 . 1 1 75 75 MET H H 75 8.648 8.648 7.962 0.686 25124 10876 1 16 . 1 1 76 76 LEU N N 76 125.720 125.720 122.450 3.270 25124 10877 1 16 . 1 1 76 76 LEU HA H 76 4.293 4.293 4.614 -0.321 25124 10878 1 16 . 1 1 76 76 LEU CA C 76 53.472 53.472 51.536 1.936 25124 10879 1 16 . 1 1 76 76 LEU CB C 76 43.540 43.540 44.565 -1.025 25124 10880 1 16 . 1 1 76 76 LEU H H 76 7.342 7.342 7.434 -0.092 25124 10881 1 16 . 1 1 77 77 PRO HA H 77 4.440 4.440 4.505 -0.065 25124 10882 1 16 . 1 1 77 77 PRO C C 77 175.062 175.062 175.337 -0.275 25124 10883 1 16 . 1 1 77 77 PRO CA C 77 62.841 62.841 62.833 0.008 25124 10884 1 16 . 1 1 77 77 PRO CB C 77 31.903 31.903 31.681 0.222 25124 10885 1 16 . 1 1 78 78 VAL N N 78 123.116 123.116 122.001 1.115 25124 10886 1 16 . 1 1 78 78 VAL HA H 78 5.093 5.093 4.289 0.804 25124 10887 1 16 . 1 1 78 78 VAL C C 78 175.776 175.776 174.724 1.052 25124 10888 1 16 . 1 1 78 78 VAL CA C 78 60.083 60.083 60.865 -0.782 25124 10889 1 16 . 1 1 78 78 VAL CB C 78 34.245 34.245 35.486 -1.241 25124 10890 1 16 . 1 1 78 78 VAL H H 78 8.369 8.369 8.114 0.255 25124 10891 1 16 . 1 1 79 79 ILE N N 79 129.166 129.166 122.439 6.727 25124 10892 1 16 . 1 1 79 79 ILE HA H 79 4.499 4.499 4.627 -0.128 25124 10893 1 16 . 1 1 79 79 ILE C C 79 174.295 174.295 175.218 -0.923 25124 10894 1 16 . 1 1 79 79 ILE CA C 79 60.030 60.030 60.026 0.004 25124 10895 1 16 . 1 1 79 79 ILE CB C 79 40.222 40.222 41.022 -0.800 25124 10896 1 16 . 1 1 79 79 ILE H H 79 9.436 9.436 7.937 1.499 25124 10897 1 16 . 1 1 80 80 ILE N N 80 128.234 128.234 126.087 2.147 25124 10898 1 16 . 1 1 80 80 ILE HA H 80 5.253 5.253 4.379 0.874 25124 10899 1 16 . 1 1 80 80 ILE C C 80 173.449 173.449 174.792 -1.343 25124 10900 1 16 . 1 1 80 80 ILE CA C 80 56.265 56.265 59.668 -3.403 25124 10901 1 16 . 1 1 80 80 ILE CB C 80 38.176 38.176 37.906 0.270 25124 10902 1 16 . 1 1 80 80 ILE H H 80 7.920 7.920 8.172 -0.252 25124 10903 1 16 . 1 1 81 81 MET N N 81 124.079 124.079 128.199 -4.120 25124 10904 1 16 . 1 1 81 81 MET HA H 81 5.489 5.489 4.698 0.791 25124 10905 1 16 . 1 1 81 81 MET C C 81 173.820 173.820 173.914 -0.094 25124 10906 1 16 . 1 1 81 81 MET CA C 81 52.889 52.889 54.776 -1.887 25124 10907 1 16 . 1 1 81 81 MET CB C 81 36.663 36.663 34.798 1.865 25124 10908 1 16 . 1 1 81 81 MET H H 81 9.028 9.028 8.153 0.875 25124 10909 1 16 . 1 1 82 82 THR N N 82 108.434 108.434 119.008 -10.574 25124 10910 1 16 . 1 1 82 82 THR HA H 82 5.134 5.134 4.514 0.620 25124 10911 1 16 . 1 1 82 82 THR C C 82 172.550 172.550 172.263 0.287 25124 10912 1 16 . 1 1 82 82 THR CA C 82 60.642 60.642 61.753 -1.111 25124 10913 1 16 . 1 1 82 82 THR CB C 82 68.843 68.843 71.106 -2.264 25124 10914 1 16 . 1 1 82 82 THR H H 82 7.098 7.098 8.085 -0.987 25124 10915 1 16 . 1 1 83 83 ALA N N 83 128.991 128.991 122.990 6.001 25124 10916 1 16 . 1 1 83 83 ALA HA H 83 4.678 4.678 4.846 -0.168 25124 10917 1 16 . 1 1 83 83 ALA C C 83 177.812 177.812 178.242 -0.430 25124 10918 1 16 . 1 1 83 83 ALA CA C 83 52.457 52.457 51.616 0.841 25124 10919 1 16 . 1 1 83 83 ALA CB C 83 19.396 19.396 20.070 -0.674 25124 10920 1 16 . 1 1 83 83 ALA H H 83 8.590 8.590 8.382 0.208 25124 10921 1 16 . 1 1 84 84 HIS N N 84 121.904 121.904 115.514 6.390 25124 10922 1 16 . 1 1 84 84 HIS HA H 84 4.576 4.576 4.398 0.178 25124 10923 1 16 . 1 1 84 84 HIS C C 84 175.512 175.512 177.004 -1.492 25124 10924 1 16 . 1 1 84 84 HIS CA C 84 56.674 56.674 57.334 -0.660 25124 10925 1 16 . 1 1 84 84 HIS CB C 84 29.589 29.589 29.650 -0.061 25124 10926 1 16 . 1 1 84 84 HIS H H 84 8.865 8.865 8.866 -0.001 25124 10927 1 16 . 1 1 85 85 SER N N 85 114.679 114.679 115.568 -0.889 25124 10928 1 16 . 1 1 85 85 SER HA H 85 4.303 4.303 3.981 0.322 25124 10929 1 16 . 1 1 85 85 SER C C 85 174.560 174.560 174.649 -0.089 25124 10930 1 16 . 1 1 85 85 SER CA C 85 58.970 58.970 60.442 -1.472 25124 10931 1 16 . 1 1 85 85 SER CB C 85 62.829 62.829 63.159 -0.330 25124 10932 1 16 . 1 1 85 85 SER H H 85 8.016 8.016 8.400 -0.384 25124 10933 1 16 . 1 1 86 86 ASP N N 86 122.325 122.325 118.572 3.753 25124 10934 1 16 . 1 1 86 86 ASP HA H 86 4.761 4.761 4.792 -0.031 25124 10935 1 16 . 1 1 86 86 ASP C C 86 176.094 176.094 175.538 0.556 25124 10936 1 16 . 1 1 86 86 ASP CA C 86 53.627 53.627 53.751 -0.124 25124 10937 1 16 . 1 1 86 86 ASP CB C 86 40.942 40.942 40.657 0.284 25124 10938 1 16 . 1 1 86 86 ASP H H 86 8.054 8.054 7.639 0.415 25124 10939 1 16 . 1 1 87 87 LEU N N 87 122.041 122.041 123.567 -1.526 25124 10940 1 16 . 1 1 87 87 LEU HA H 87 4.069 4.069 4.151 -0.082 25124 10941 1 16 . 1 1 87 87 LEU C C 87 177.892 177.892 177.475 0.417 25124 10942 1 16 . 1 1 87 87 LEU CA C 87 57.182 57.182 56.492 0.690 25124 10943 1 16 . 1 1 87 87 LEU CB C 87 42.015 42.015 42.570 -0.555 25124 10944 1 16 . 1 1 87 87 LEU H H 87 8.005 8.005 7.664 0.341 25124 10945 1 16 . 1 1 88 88 ASP N N 88 118.050 118.050 119.937 -1.887 25124 10946 1 16 . 1 1 88 88 ASP HA H 88 4.370 4.370 4.268 0.102 25124 10947 1 16 . 1 1 88 88 ASP C C 88 178.103 178.103 177.101 1.002 25124 10948 1 16 . 1 1 88 88 ASP CA C 88 56.342 56.342 57.010 -0.668 25124 10949 1 16 . 1 1 88 88 ASP CB C 88 40.280 40.280 40.584 -0.304 25124 10950 1 16 . 1 1 88 88 ASP H H 88 8.243 8.243 8.697 -0.454 25124 10951 1 16 . 1 1 89 89 ALA N N 89 122.780 122.780 120.910 1.870 25124 10952 1 16 . 1 1 89 89 ALA HA H 89 4.038 4.038 4.115 -0.077 25124 10953 1 16 . 1 1 89 89 ALA C C 89 178.526 178.526 179.087 -0.561 25124 10954 1 16 . 1 1 89 89 ALA CA C 89 54.655 54.655 53.974 0.681 25124 10955 1 16 . 1 1 89 89 ALA CB C 89 18.809 18.809 18.353 0.456 25124 10956 1 16 . 1 1 89 89 ALA H H 89 7.890 7.890 7.387 0.503 25124 10957 1 16 . 1 1 90 90 ALA N N 90 120.040 120.040 121.169 -1.129 25124 10958 1 16 . 1 1 90 90 ALA HA H 90 3.254 3.254 3.681 -0.427 25124 10959 1 16 . 1 1 90 90 ALA C C 90 178.976 178.976 179.368 -0.392 25124 10960 1 16 . 1 1 90 90 ALA CA C 90 55.050 55.050 54.775 0.275 25124 10961 1 16 . 1 1 90 90 ALA CB C 90 17.725 17.725 18.005 -0.280 25124 10962 1 16 . 1 1 90 90 ALA H H 90 7.513 7.513 7.823 -0.310 25124 10963 1 16 . 1 1 91 91 VAL N N 91 116.635 116.635 117.395 -0.760 25124 10964 1 16 . 1 1 91 91 VAL HA H 91 3.637 3.637 3.872 -0.235 25124 10965 1 16 . 1 1 91 91 VAL C C 91 178.632 178.632 177.665 0.967 25124 10966 1 16 . 1 1 91 91 VAL CA C 91 65.971 65.971 65.619 0.352 25124 10967 1 16 . 1 1 91 91 VAL CB C 91 31.623 31.623 31.343 0.280 25124 10968 1 16 . 1 1 91 91 VAL H H 91 7.877 7.877 7.282 0.595 25124 10969 1 16 . 1 1 92 92 SER N N 92 115.439 115.439 115.568 -0.129 25124 10970 1 16 . 1 1 92 92 SER HA H 92 4.215 4.215 4.028 0.187 25124 10971 1 16 . 1 1 92 92 SER C C 92 175.961 175.961 176.543 -0.582 25124 10972 1 16 . 1 1 92 92 SER CA C 92 61.401 61.401 61.354 0.047 25124 10973 1 16 . 1 1 92 92 SER CB C 92 62.966 62.966 62.936 0.030 25124 10974 1 16 . 1 1 92 92 SER H H 92 7.912 7.912 7.571 0.341 25124 10975 1 16 . 1 1 93 93 ALA N N 93 122.647 122.647 123.619 -0.972 25124 10976 1 16 . 1 1 93 93 ALA HA H 93 3.786 3.786 4.181 -0.395 25124 10977 1 16 . 1 1 93 93 ALA C C 93 179.293 179.293 179.718 -0.425 25124 10978 1 16 . 1 1 93 93 ALA CA C 93 55.172 55.172 54.864 0.308 25124 10979 1 16 . 1 1 93 93 ALA CB C 93 17.161 17.161 17.900 -0.739 25124 10980 1 16 . 1 1 93 93 ALA H H 93 8.199 8.199 8.129 0.070 25124 10981 1 16 . 1 1 94 94 TYR N N 94 117.796 117.796 117.226 0.570 25124 10982 1 16 . 1 1 94 94 TYR HA H 94 4.283 4.283 4.273 0.010 25124 10983 1 16 . 1 1 94 94 TYR C C 94 179.954 179.954 178.173 1.781 25124 10984 1 16 . 1 1 94 94 TYR CA C 94 61.216 61.216 59.828 1.388 25124 10985 1 16 . 1 1 94 94 TYR CB C 94 37.716 37.716 37.350 0.366 25124 10986 1 16 . 1 1 94 94 TYR H H 94 8.065 8.065 7.513 0.552 25124 10987 1 16 . 1 1 95 95 GLN N N 95 120.057 120.057 117.237 2.820 25124 10988 1 16 . 1 1 95 95 GLN HA H 95 4.005 4.005 4.106 -0.101 25124 10989 1 16 . 1 1 95 95 GLN C C 95 177.680 177.680 177.704 -0.024 25124 10990 1 16 . 1 1 95 95 GLN CA C 95 58.471 58.471 58.097 0.374 25124 10991 1 16 . 1 1 95 95 GLN CB C 95 28.334 28.334 28.400 -0.066 25124 10992 1 16 . 1 1 95 95 GLN H H 95 8.513 8.513 7.515 0.998 25124 10993 1 16 . 1 1 96 96 GLN N N 96 115.323 115.323 116.536 -1.213 25124 10994 1 16 . 1 1 96 96 GLN HA H 96 4.321 4.321 4.223 0.098 25124 10995 1 16 . 1 1 96 96 GLN C C 96 175.538 175.538 177.052 -1.514 25124 10996 1 16 . 1 1 96 96 GLN CA C 96 55.379 55.379 56.838 -1.459 25124 10997 1 16 . 1 1 96 96 GLN CB C 96 28.915 28.915 29.757 -0.842 25124 10998 1 16 . 1 1 96 96 GLN H H 96 7.774 7.774 7.653 0.121 25124 10999 1 16 . 1 1 97 97 GLY N N 97 104.173 104.173 107.588 -3.415 25124 11000 1 16 . 1 1 97 97 GLY C C 97 175.168 175.168 173.579 1.589 25124 11001 1 16 . 1 1 97 97 GLY CA C 97 45.491 45.491 44.434 1.057 25124 11002 1 16 . 1 1 97 97 GLY H H 97 7.576 7.576 7.571 0.005 25124 11003 1 16 . 1 1 98 98 ALA N N 98 123.484 123.484 121.494 1.990 25124 11004 1 16 . 1 1 98 98 ALA HA H 98 4.266 4.266 4.493 -0.227 25124 11005 1 16 . 1 1 98 98 ALA C C 98 176.067 176.067 176.605 -0.538 25124 11006 1 16 . 1 1 98 98 ALA CA C 98 53.008 53.008 52.233 0.776 25124 11007 1 16 . 1 1 98 98 ALA CB C 98 18.556 18.556 19.968 -1.412 25124 11008 1 16 . 1 1 98 98 ALA H H 98 8.358 8.358 7.667 0.691 25124 11009 1 16 . 1 1 99 99 PHE N N 99 123.551 123.551 120.867 2.684 25124 11010 1 16 . 1 1 99 99 PHE HA H 99 4.259 4.259 4.673 -0.414 25124 11011 1 16 . 1 1 99 99 PHE C C 99 175.432 175.432 175.263 0.169 25124 11012 1 16 . 1 1 99 99 PHE CA C 99 60.274 60.274 59.810 0.464 25124 11013 1 16 . 1 1 99 99 PHE CB C 99 40.375 40.375 41.399 -1.024 25124 11014 1 16 . 1 1 99 99 PHE H H 99 9.477 9.477 8.358 1.119 25124 11015 1 16 . 1 1 100 100 ASP N N 100 110.678 110.678 113.788 -3.110 25124 11016 1 16 . 1 1 100 100 ASP HA H 100 4.547 4.547 5.013 -0.466 25124 11017 1 16 . 1 1 100 100 ASP C C 100 173.053 173.053 173.979 -0.926 25124 11018 1 16 . 1 1 100 100 ASP CA C 100 52.527 52.527 53.685 -1.158 25124 11019 1 16 . 1 1 100 100 ASP CB C 100 44.789 44.789 43.427 1.362 25124 11020 1 16 . 1 1 100 100 ASP H H 100 7.683 7.683 8.151 -0.468 25124 11021 1 16 . 1 1 101 101 TYR N N 101 122.174 122.174 121.580 0.594 25124 11022 1 16 . 1 1 101 101 TYR HA H 101 5.425 5.425 5.154 0.271 25124 11023 1 16 . 1 1 101 101 TYR C C 101 172.550 172.550 174.382 -1.832 25124 11024 1 16 . 1 1 101 101 TYR CA C 101 55.865 55.865 56.182 -0.317 25124 11025 1 16 . 1 1 101 101 TYR CB C 101 41.760 41.760 39.512 2.248 25124 11026 1 16 . 1 1 101 101 TYR H H 101 9.874 9.874 8.668 1.206 25124 11027 1 16 . 1 1 102 102 LEU N N 102 129.337 129.337 130.849 -1.512 25124 11028 1 16 . 1 1 102 102 LEU HA H 102 4.677 4.677 4.614 0.063 25124 11029 1 16 . 1 1 102 102 LEU CA C 102 50.418 50.418 50.898 -0.480 25124 11030 1 16 . 1 1 102 102 LEU CB C 102 45.066 45.066 42.632 2.434 25124 11031 1 16 . 1 1 102 102 LEU H H 102 8.974 8.974 7.890 1.084 25124 11032 1 16 . 1 1 103 103 PRO HA H 103 4.552 4.552 4.446 0.106 25124 11033 1 16 . 1 1 103 103 PRO C C 103 176.067 176.067 175.430 0.637 25124 11034 1 16 . 1 1 103 103 PRO CA C 103 61.951 61.951 62.211 -0.260 25124 11035 1 16 . 1 1 103 103 PRO CB C 103 31.829 31.829 32.234 -0.405 25124 11036 1 16 . 1 1 104 104 LYS N N 104 118.403 118.403 120.569 -2.166 25124 11037 1 16 . 1 1 104 104 LYS HA H 104 4.459 4.459 4.916 -0.457 25124 11038 1 16 . 1 1 104 104 LYS CA C 104 53.204 53.204 53.570 -0.366 25124 11039 1 16 . 1 1 104 104 LYS CB C 104 34.500 34.500 32.168 2.332 25124 11040 1 16 . 1 1 104 104 LYS H H 104 8.013 8.013 8.250 -0.237 25124 11041 1 16 . 1 1 105 105 PRO HA H 105 4.258 4.258 4.558 -0.300 25124 11042 1 16 . 1 1 105 105 PRO C C 105 174.930 174.930 176.040 -1.110 25124 11043 1 16 . 1 1 105 105 PRO CA C 105 62.213 62.213 63.085 -0.872 25124 11044 1 16 . 1 1 105 105 PRO CB C 105 34.151 34.151 31.828 2.323 25124 11045 1 16 . 1 1 106 106 PHE N N 106 116.796 116.796 120.838 -4.042 25124 11046 1 16 . 1 1 106 106 PHE HA H 106 5.169 5.169 4.749 0.420 25124 11047 1 16 . 1 1 106 106 PHE C C 106 175.194 175.194 174.628 0.566 25124 11048 1 16 . 1 1 106 106 PHE CA C 106 53.244 53.244 55.556 -2.312 25124 11049 1 16 . 1 1 106 106 PHE CB C 106 40.477 40.477 40.892 -0.415 25124 11050 1 16 . 1 1 106 106 PHE H H 106 7.399 7.399 7.714 -0.315 25124 11051 1 16 . 1 1 107 107 ASP N N 107 122.212 122.212 122.503 -0.291 25124 11052 1 16 . 1 1 107 107 ASP HA H 107 4.823 4.823 4.919 -0.096 25124 11053 1 16 . 1 1 107 107 ASP C C 107 177.812 177.812 176.984 0.828 25124 11054 1 16 . 1 1 107 107 ASP CA C 107 53.392 53.392 53.652 -0.260 25124 11055 1 16 . 1 1 107 107 ASP CB C 107 42.455 42.455 41.831 0.624 25124 11056 1 16 . 1 1 107 107 ASP H H 107 9.047 9.047 8.665 0.382 25124 11057 1 16 . 1 1 108 108 ILE N N 108 127.963 127.963 122.027 5.936 25124 11058 1 16 . 1 1 108 108 ILE HA H 108 3.949 3.949 4.028 -0.079 25124 11059 1 16 . 1 1 108 108 ILE C C 108 176.226 176.226 177.103 -0.877 25124 11060 1 16 . 1 1 108 108 ILE CA C 108 63.105 63.105 64.227 -1.122 25124 11061 1 16 . 1 1 108 108 ILE CB C 108 37.665 37.665 37.387 0.278 25124 11062 1 16 . 1 1 108 108 ILE H H 108 8.898 8.898 8.493 0.405 25124 11063 1 16 . 1 1 109 109 ASP N N 109 119.804 119.804 121.255 -1.451 25124 11064 1 16 . 1 1 109 109 ASP HA H 109 4.393 4.393 4.349 0.044 25124 11065 1 16 . 1 1 109 109 ASP C C 109 179.848 179.848 178.760 1.088 25124 11066 1 16 . 1 1 109 109 ASP CA C 109 57.483 57.483 57.910 -0.427 25124 11067 1 16 . 1 1 109 109 ASP CB C 109 39.986 39.986 40.424 -0.438 25124 11068 1 16 . 1 1 109 109 ASP H H 109 8.098 8.098 8.556 -0.458 25124 11069 1 16 . 1 1 110 110 GLU N N 110 121.667 121.667 118.542 3.125 25124 11070 1 16 . 1 1 110 110 GLU HA H 110 4.085 4.085 4.354 -0.269 25124 11071 1 16 . 1 1 110 110 GLU C C 110 178.976 178.976 178.468 0.508 25124 11072 1 16 . 1 1 110 110 GLU CA C 110 58.790 58.790 57.775 1.015 25124 11073 1 16 . 1 1 110 110 GLU CB C 110 29.330 29.330 30.001 -0.671 25124 11074 1 16 . 1 1 110 110 GLU H H 110 8.059 8.059 8.099 -0.040 25124 11075 1 16 . 1 1 111 111 ALA N N 111 122.208 122.208 123.444 -1.236 25124 11076 1 16 . 1 1 111 111 ALA HA H 111 3.758 3.758 4.193 -0.435 25124 11077 1 16 . 1 1 111 111 ALA C C 111 178.605 178.605 179.606 -1.001 25124 11078 1 16 . 1 1 111 111 ALA CA C 111 55.320 55.320 55.236 0.084 25124 11079 1 16 . 1 1 111 111 ALA CB C 111 18.174 18.174 18.574 -0.400 25124 11080 1 16 . 1 1 111 111 ALA H H 111 7.903 7.903 7.625 0.278 25124 11081 1 16 . 1 1 112 112 VAL N N 112 116.429 116.429 118.230 -1.801 25124 11082 1 16 . 1 1 112 112 VAL HA H 112 3.194 3.194 3.637 -0.443 25124 11083 1 16 . 1 1 112 112 VAL C C 112 177.230 177.230 177.997 -0.767 25124 11084 1 16 . 1 1 112 112 VAL CA C 112 67.154 67.154 67.322 -0.168 25124 11085 1 16 . 1 1 112 112 VAL CB C 112 31.538 31.538 31.276 0.262 25124 11086 1 16 . 1 1 112 112 VAL H H 112 8.032 8.032 8.691 -0.659 25124 11087 1 16 . 1 1 113 113 ALA N N 113 120.198 120.198 120.277 -0.079 25124 11088 1 16 . 1 1 113 113 ALA HA H 113 4.159 4.159 4.271 -0.112 25124 11089 1 16 . 1 1 113 113 ALA C C 113 180.589 180.589 179.282 1.307 25124 11090 1 16 . 1 1 113 113 ALA CA C 113 54.902 54.902 54.268 0.634 25124 11091 1 16 . 1 1 113 113 ALA CB C 113 17.980 17.980 18.671 -0.691 25124 11092 1 16 . 1 1 113 113 ALA H H 113 7.723 7.723 7.703 0.020 25124 11093 1 16 . 1 1 114 114 LEU N N 114 120.742 120.742 120.522 0.220 25124 11094 1 16 . 1 1 114 114 LEU HA H 114 4.102 4.102 4.230 -0.128 25124 11095 1 16 . 1 1 114 114 LEU C C 114 178.605 178.605 178.370 0.235 25124 11096 1 16 . 1 1 114 114 LEU CA C 114 58.181 58.181 57.285 0.896 25124 11097 1 16 . 1 1 114 114 LEU CB C 114 42.032 42.032 42.247 -0.215 25124 11098 1 16 . 1 1 114 114 LEU H H 114 7.928 7.928 7.378 0.550 25124 11099 1 16 . 1 1 115 115 VAL N N 115 119.478 119.478 117.735 1.743 25124 11100 1 16 . 1 1 115 115 VAL HA H 115 3.250 3.250 3.537 -0.287 25124 11101 1 16 . 1 1 115 115 VAL C C 115 177.548 177.548 178.079 -0.531 25124 11102 1 16 . 1 1 115 115 VAL CA C 115 67.168 67.168 67.024 0.144 25124 11103 1 16 . 1 1 115 115 VAL CB C 115 30.760 30.760 31.475 -0.715 25124 11104 1 16 . 1 1 115 115 VAL H H 115 7.846 7.846 8.521 -0.675 25124 11105 1 16 . 1 1 116 116 GLU N N 116 117.570 117.570 116.855 0.715 25124 11106 1 16 . 1 1 116 116 GLU HA H 116 3.809 3.809 4.134 -0.325 25124 11107 1 16 . 1 1 116 116 GLU C C 116 179.557 179.557 178.266 1.291 25124 11108 1 16 . 1 1 116 116 GLU CA C 116 59.974 59.974 58.298 1.676 25124 11109 1 16 . 1 1 116 116 GLU CB C 116 29.084 29.084 28.770 0.314 25124 11110 1 16 . 1 1 116 116 GLU H H 116 8.462 8.462 7.889 0.573 25124 11111 1 16 . 1 1 117 117 ARG N N 117 120.263 120.263 120.348 -0.085 25124 11112 1 16 . 1 1 117 117 ARG HA H 117 4.109 4.109 4.063 0.046 25124 11113 1 16 . 1 1 117 117 ARG C C 117 178.500 178.500 178.135 0.365 25124 11114 1 16 . 1 1 117 117 ARG CA C 117 59.411 59.411 59.492 -0.081 25124 11115 1 16 . 1 1 117 117 ARG CB C 117 30.414 30.414 30.209 0.204 25124 11116 1 16 . 1 1 117 117 ARG H H 117 8.090 8.090 7.723 0.367 25124 11117 1 16 . 1 1 118 118 ALA N N 118 122.157 122.157 119.319 2.838 25124 11118 1 16 . 1 1 118 118 ALA HA H 118 3.467 3.467 4.224 -0.757 25124 11119 1 16 . 1 1 118 118 ALA C C 118 178.632 178.632 179.068 -0.436 25124 11120 1 16 . 1 1 118 118 ALA CA C 118 54.739 54.739 54.143 0.596 25124 11121 1 16 . 1 1 118 118 ALA CB C 118 18.280 18.280 18.631 -0.351 25124 11122 1 16 . 1 1 118 118 ALA H H 118 8.005 8.005 7.323 0.682 25124 11123 1 16 . 1 1 119 119 ILE N N 119 115.429 115.429 118.215 -2.786 25124 11124 1 16 . 1 1 119 119 ILE HA H 119 3.706 3.706 3.830 -0.124 25124 11125 1 16 . 1 1 119 119 ILE C C 119 177.442 177.442 177.618 -0.176 25124 11126 1 16 . 1 1 119 119 ILE CA C 119 63.910 63.910 64.393 -0.483 25124 11127 1 16 . 1 1 119 119 ILE CB C 119 37.939 37.939 37.574 0.365 25124 11128 1 16 . 1 1 119 119 ILE H H 119 7.788 7.788 7.463 0.325 25124 11129 1 16 . 1 1 120 120 SER N N 120 114.902 114.902 113.085 1.817 25124 11130 1 16 . 1 1 120 120 SER HA H 120 4.285 4.285 4.285 -0.000 25124 11131 1 16 . 1 1 120 120 SER C C 120 175.142 175.142 176.458 -1.316 25124 11132 1 16 . 1 1 120 120 SER CA C 120 59.871 59.871 60.347 -0.476 25124 11133 1 16 . 1 1 120 120 SER CB C 120 63.522 63.522 63.359 0.163 25124 11134 1 16 . 1 1 120 120 SER H H 120 7.881 7.881 8.343 -0.462 25124 11135 1 16 . 1 1 121 121 HIS N N 121 119.927 119.927 121.590 -1.663 25124 11136 1 16 . 1 1 121 121 HIS HA H 121 4.439 4.439 4.359 0.080 25124 11137 1 16 . 1 1 121 121 HIS C C 121 174.957 174.957 176.030 -1.073 25124 11138 1 16 . 1 1 121 121 HIS CA C 121 57.362 57.362 58.233 -0.872 25124 11139 1 16 . 1 1 121 121 HIS CB C 121 29.496 29.496 29.996 -0.500 25124 11140 1 16 . 1 1 121 121 HIS H H 121 7.960 7.960 7.777 0.183 25124 11141 1 16 . 1 1 122 122 TYR N N 122 118.745 118.745 117.333 1.412 25124 11142 1 16 . 1 1 122 122 TYR HA H 122 4.455 4.455 4.562 -0.107 25124 11143 1 16 . 1 1 122 122 TYR C C 122 175.353 175.353 174.932 0.421 25124 11144 1 16 . 1 1 122 122 TYR CA C 122 58.528 58.528 57.399 1.129 25124 11145 1 16 . 1 1 122 122 TYR CB C 122 38.726 38.726 36.758 1.968 25124 11146 1 16 . 1 1 122 122 TYR H H 122 7.776 7.776 7.404 0.372 25124 11147 1 16 . 1 1 123 123 GLN N N 123 121.424 121.424 119.134 2.290 25124 11148 1 16 . 1 1 123 123 GLN HA H 123 4.294 4.294 4.146 0.148 25124 11149 1 16 . 1 1 123 123 GLN C C 123 174.560 174.560 176.314 -1.754 25124 11150 1 16 . 1 1 123 123 GLN CA C 123 55.658 55.658 56.213 -0.555 25124 11151 1 16 . 1 1 123 123 GLN CB C 123 29.877 29.877 29.524 0.353 25124 11152 1 16 . 1 1 123 123 GLN H H 123 7.904 7.904 7.359 0.545 25124 11153 1 17 . 1 1 2 2 GLN HA H 2 4.453 4.453 4.546 -0.093 25124 11154 1 17 . 1 1 2 2 GLN C C 2 174.930 174.930 175.174 -0.244 25124 11155 1 17 . 1 1 2 2 GLN CA C 2 55.627 55.627 54.742 0.885 25124 11156 1 17 . 1 1 2 2 GLN CB C 2 29.312 29.312 30.670 -1.358 25124 11157 1 17 . 1 1 3 3 ARG N N 3 121.349 121.349 117.851 3.498 25124 11158 1 17 . 1 1 3 3 ARG HA H 3 4.390 4.390 4.037 0.353 25124 11159 1 17 . 1 1 3 3 ARG C C 3 175.723 175.723 174.333 1.390 25124 11160 1 17 . 1 1 3 3 ARG CA C 3 56.041 56.041 56.953 -0.912 25124 11161 1 17 . 1 1 3 3 ARG CB C 3 31.395 31.395 30.348 1.047 25124 11162 1 17 . 1 1 3 3 ARG H H 3 8.451 8.451 8.651 -0.200 25124 11163 1 17 . 1 1 4 4 GLY N N 4 107.889 107.889 108.376 -0.487 25124 11164 1 17 . 1 1 4 4 GLY C C 4 171.122 171.122 172.288 -1.166 25124 11165 1 17 . 1 1 4 4 GLY CA C 4 45.333 45.333 44.430 0.903 25124 11166 1 17 . 1 1 4 4 GLY H H 4 8.037 8.037 8.217 -0.180 25124 11167 1 17 . 1 1 5 5 ILE N N 5 122.674 122.674 120.604 2.070 25124 11168 1 17 . 1 1 5 5 ILE HA H 5 4.731 4.731 4.052 0.679 25124 11169 1 17 . 1 1 5 5 ILE C C 5 175.459 175.459 174.844 0.615 25124 11170 1 17 . 1 1 5 5 ILE CA C 5 60.614 60.614 62.117 -1.503 25124 11171 1 17 . 1 1 5 5 ILE CB C 5 39.535 39.535 38.523 1.012 25124 11172 1 17 . 1 1 5 5 ILE H H 5 9.605 9.605 8.350 1.255 25124 11173 1 17 . 1 1 6 6 VAL N N 6 127.532 127.532 125.084 2.448 25124 11174 1 17 . 1 1 6 6 VAL HA H 6 4.892 4.892 4.398 0.494 25124 11175 1 17 . 1 1 6 6 VAL C C 6 174.110 174.110 174.648 -0.538 25124 11176 1 17 . 1 1 6 6 VAL CA C 6 59.255 59.255 61.480 -2.225 25124 11177 1 17 . 1 1 6 6 VAL CB C 6 34.530 34.530 33.067 1.463 25124 11178 1 17 . 1 1 6 6 VAL H H 6 9.135 9.135 8.102 1.033 25124 11179 1 17 . 1 1 7 7 TRP N N 7 127.409 127.409 128.539 -1.130 25124 11180 1 17 . 1 1 7 7 TRP HA H 7 6.447 6.447 5.407 1.040 25124 11181 1 17 . 1 1 7 7 TRP C C 7 175.089 175.089 175.553 -0.464 25124 11182 1 17 . 1 1 7 7 TRP CA C 7 52.797 52.797 54.266 -1.469 25124 11183 1 17 . 1 1 7 7 TRP CB C 7 33.255 33.255 30.122 3.133 25124 11184 1 17 . 1 1 7 7 TRP H H 7 8.544 8.544 8.467 0.077 25124 11185 1 17 . 1 1 8 8 VAL N N 8 122.270 122.270 124.035 -1.765 25124 11186 1 17 . 1 1 8 8 VAL HA H 8 5.135 5.135 4.453 0.682 25124 11187 1 17 . 1 1 8 8 VAL C C 8 173.820 173.820 174.168 -0.348 25124 11188 1 17 . 1 1 8 8 VAL CA C 8 60.457 60.457 61.686 -1.229 25124 11189 1 17 . 1 1 8 8 VAL CB C 8 35.893 35.893 33.942 1.951 25124 11190 1 17 . 1 1 8 8 VAL H H 8 8.643 8.643 8.675 -0.032 25124 11191 1 17 . 1 1 9 9 VAL N N 9 126.806 126.806 128.413 -1.607 25124 11192 1 17 . 1 1 9 9 VAL HA H 9 5.192 5.192 4.286 0.906 25124 11193 1 17 . 1 1 9 9 VAL C C 9 172.550 172.550 174.032 -1.482 25124 11194 1 17 . 1 1 9 9 VAL CA C 9 58.384 58.384 61.819 -3.435 25124 11195 1 17 . 1 1 9 9 VAL CB C 9 34.135 34.135 31.978 2.157 25124 11196 1 17 . 1 1 9 9 VAL H H 9 9.113 9.113 8.599 0.514 25124 11197 1 17 . 1 1 10 10 ASP N N 10 125.011 125.011 124.581 0.430 25124 11198 1 17 . 1 1 10 10 ASP HA H 10 4.554 4.554 4.804 -0.250 25124 11199 1 17 . 1 1 10 10 ASP C C 10 174.877 174.877 174.138 0.739 25124 11200 1 17 . 1 1 10 10 ASP CA C 10 55.066 55.066 52.943 2.123 25124 11201 1 17 . 1 1 10 10 ASP CB C 10 44.131 44.131 43.393 0.738 25124 11202 1 17 . 1 1 10 10 ASP H H 10 7.881 7.881 8.146 -0.265 25124 11203 1 17 . 1 1 11 11 ASP N N 11 124.048 124.048 120.289 3.759 25124 11204 1 17 . 1 1 11 11 ASP HA H 11 4.613 4.613 4.763 -0.150 25124 11205 1 17 . 1 1 11 11 ASP C C 11 175.089 175.089 174.742 0.347 25124 11206 1 17 . 1 1 11 11 ASP CA C 11 55.346 55.346 53.593 1.753 25124 11207 1 17 . 1 1 11 11 ASP CB C 11 39.583 39.583 39.991 -0.408 25124 11208 1 17 . 1 1 11 11 ASP H H 11 9.166 9.166 8.475 0.691 25124 11209 1 17 . 1 1 12 12 ASP N N 12 125.165 125.165 121.549 3.616 25124 11210 1 17 . 1 1 12 12 ASP HA H 12 4.757 4.757 4.721 0.036 25124 11211 1 17 . 1 1 12 12 ASP C C 12 176.993 176.993 176.179 0.814 25124 11212 1 17 . 1 1 12 12 ASP CA C 12 53.112 53.112 54.254 -1.142 25124 11213 1 17 . 1 1 12 12 ASP CB C 12 41.072 41.072 43.784 -2.712 25124 11214 1 17 . 1 1 12 12 ASP H H 12 10.290 10.290 7.602 2.688 25124 11215 1 17 . 1 1 13 13 SER N N 13 123.818 123.818 119.268 4.550 25124 11216 1 17 . 1 1 13 13 SER HA H 13 3.719 3.719 4.300 -0.581 25124 11217 1 17 . 1 1 13 13 SER C C 13 176.146 176.146 176.143 0.003 25124 11218 1 17 . 1 1 13 13 SER CA C 13 61.341 61.341 60.517 0.824 25124 11219 1 17 . 1 1 13 13 SER CB C 13 62.638 62.638 63.361 -0.723 25124 11220 1 17 . 1 1 13 13 SER H H 13 8.993 8.993 8.706 0.287 25124 11221 1 17 . 1 1 14 14 SER N N 14 118.714 118.714 118.810 -0.096 25124 11222 1 17 . 1 1 14 14 SER HA H 14 4.322 4.322 4.403 -0.081 25124 11223 1 17 . 1 1 14 14 SER C C 14 176.411 176.411 175.710 0.701 25124 11224 1 17 . 1 1 14 14 SER CA C 14 61.717 61.717 61.550 0.167 25124 11225 1 17 . 1 1 14 14 SER CB C 14 62.554 62.554 62.980 -0.426 25124 11226 1 17 . 1 1 14 14 SER H H 14 8.499 8.499 8.647 -0.148 25124 11227 1 17 . 1 1 15 15 ILE N N 15 122.822 122.822 118.838 3.984 25124 11228 1 17 . 1 1 15 15 ILE HA H 15 3.972 3.972 3.936 0.036 25124 11229 1 17 . 1 1 15 15 ILE C C 15 177.786 177.786 177.634 0.152 25124 11230 1 17 . 1 1 15 15 ILE CA C 15 60.784 60.784 62.384 -1.600 25124 11231 1 17 . 1 1 15 15 ILE CB C 15 36.016 36.016 37.002 -0.986 25124 11232 1 17 . 1 1 15 15 ILE H H 15 7.011 7.011 7.469 -0.458 25124 11233 1 17 . 1 1 16 16 ARG N N 16 116.580 116.580 120.596 -4.016 25124 11234 1 17 . 1 1 16 16 ARG HA H 16 3.711 3.711 4.160 -0.449 25124 11235 1 17 . 1 1 16 16 ARG C C 16 177.336 177.336 178.348 -1.012 25124 11236 1 17 . 1 1 16 16 ARG CA C 16 61.632 61.632 59.435 2.197 25124 11237 1 17 . 1 1 16 16 ARG CB C 16 30.520 30.520 30.140 0.380 25124 11238 1 17 . 1 1 16 16 ARG H H 16 7.370 7.370 7.559 -0.189 25124 11239 1 17 . 1 1 17 17 TRP N N 17 116.893 116.893 121.958 -5.065 25124 11240 1 17 . 1 1 17 17 TRP HA H 17 4.481 4.481 4.359 0.122 25124 11241 1 17 . 1 1 17 17 TRP C C 17 178.394 178.394 178.154 0.240 25124 11242 1 17 . 1 1 17 17 TRP CA C 17 60.482 60.482 61.516 -1.034 25124 11243 1 17 . 1 1 17 17 TRP CB C 17 29.372 29.372 29.127 0.245 25124 11244 1 17 . 1 1 17 17 TRP H H 17 8.020 8.020 8.598 -0.578 25124 11245 1 17 . 1 1 18 18 VAL N N 18 116.799 116.799 116.225 0.574 25124 11246 1 17 . 1 1 18 18 VAL HA H 18 3.662 3.662 2.649 1.013 25124 11247 1 17 . 1 1 18 18 VAL C C 18 179.161 179.161 177.576 1.585 25124 11248 1 17 . 1 1 18 18 VAL CA C 18 65.858 65.858 65.628 0.230 25124 11249 1 17 . 1 1 18 18 VAL CB C 18 31.792 31.792 30.954 0.838 25124 11250 1 17 . 1 1 18 18 VAL H H 18 8.085 8.085 7.441 0.644 25124 11251 1 17 . 1 1 19 19 LEU N N 19 119.595 119.595 120.208 -0.613 25124 11252 1 17 . 1 1 19 19 LEU HA H 19 4.083 4.083 3.756 0.327 25124 11253 1 17 . 1 1 19 19 LEU C C 19 177.759 177.759 178.861 -1.102 25124 11254 1 17 . 1 1 19 19 LEU CA C 19 57.971 57.971 58.026 -0.055 25124 11255 1 17 . 1 1 19 19 LEU CB C 19 41.863 41.863 41.383 0.480 25124 11256 1 17 . 1 1 19 19 LEU H H 19 8.035 8.035 7.273 0.762 25124 11257 1 17 . 1 1 20 20 GLU N N 20 120.318 120.318 118.845 1.473 25124 11258 1 17 . 1 1 20 20 GLU HA H 20 4.007 4.007 3.782 0.225 25124 11259 1 17 . 1 1 20 20 GLU C C 20 178.500 178.500 179.148 -0.648 25124 11260 1 17 . 1 1 20 20 GLU CA C 20 60.567 60.567 59.620 0.947 25124 11261 1 17 . 1 1 20 20 GLU CB C 20 29.073 29.073 29.454 -0.381 25124 11262 1 17 . 1 1 20 20 GLU H H 20 8.417 8.417 7.988 0.429 25124 11263 1 17 . 1 1 21 21 ARG N N 21 115.981 115.981 117.429 -1.448 25124 11264 1 17 . 1 1 21 21 ARG HA H 21 3.898 3.898 3.931 -0.033 25124 11265 1 17 . 1 1 21 21 ARG C C 21 179.769 179.769 178.041 1.728 25124 11266 1 17 . 1 1 21 21 ARG CA C 21 58.491 58.491 58.692 -0.201 25124 11267 1 17 . 1 1 21 21 ARG CB C 21 29.966 29.966 29.779 0.187 25124 11268 1 17 . 1 1 21 21 ARG H H 21 7.579 7.579 7.682 -0.103 25124 11269 1 17 . 1 1 22 22 ALA N N 22 122.267 122.267 121.946 0.321 25124 11270 1 17 . 1 1 22 22 ALA HA H 22 4.110 4.110 4.135 -0.025 25124 11271 1 17 . 1 1 22 22 ALA C C 22 180.456 180.456 179.413 1.043 25124 11272 1 17 . 1 1 22 22 ALA CA C 22 54.643 54.643 54.562 0.081 25124 11273 1 17 . 1 1 22 22 ALA CB C 22 19.225 19.225 19.041 0.183 25124 11274 1 17 . 1 1 22 22 ALA H H 22 7.933 7.933 7.617 0.316 25124 11275 1 17 . 1 1 23 23 LEU N N 23 118.139 118.139 119.703 -1.564 25124 11276 1 17 . 1 1 23 23 LEU HA H 23 4.005 4.005 3.867 0.138 25124 11277 1 17 . 1 1 23 23 LEU C C 23 178.843 178.843 179.413 -0.570 25124 11278 1 17 . 1 1 23 23 LEU CA C 23 57.765 57.765 57.859 -0.094 25124 11279 1 17 . 1 1 23 23 LEU CB C 23 39.919 39.919 41.395 -1.476 25124 11280 1 17 . 1 1 23 23 LEU H H 23 8.855 8.855 8.538 0.317 25124 11281 1 17 . 1 1 24 24 ALA N N 24 122.164 122.164 119.807 2.357 25124 11282 1 17 . 1 1 24 24 ALA HA H 24 4.665 4.665 4.047 0.618 25124 11283 1 17 . 1 1 24 24 ALA C C 24 183.206 183.206 179.487 3.719 25124 11284 1 17 . 1 1 24 24 ALA CA C 24 54.812 54.812 54.485 0.327 25124 11285 1 17 . 1 1 24 24 ALA CB C 24 17.820 17.820 18.337 -0.517 25124 11286 1 17 . 1 1 24 24 ALA H H 24 8.238 8.238 7.980 0.258 25124 11287 1 17 . 1 1 25 25 GLY N N 25 106.903 106.903 105.287 1.616 25124 11288 1 17 . 1 1 25 25 GLY C C 25 174.375 174.375 175.177 -0.802 25124 11289 1 17 . 1 1 25 25 GLY CA C 25 46.550 46.550 45.614 0.936 25124 11290 1 17 . 1 1 25 25 GLY H H 25 7.907 7.907 7.768 0.139 25124 11291 1 17 . 1 1 26 26 ALA N N 26 121.832 121.832 121.920 -0.088 25124 11292 1 17 . 1 1 26 26 ALA HA H 26 4.505 4.505 4.559 -0.054 25124 11293 1 17 . 1 1 26 26 ALA CA C 26 51.585 51.585 51.666 -0.081 25124 11294 1 17 . 1 1 26 26 ALA CB C 26 18.799 18.799 19.288 -0.489 25124 11295 1 17 . 1 1 26 26 ALA H H 26 7.316 7.316 7.869 -0.553 25124 11296 1 17 . 1 1 27 27 GLY N N 27 106.146 106.146 106.995 -0.849 25124 11297 1 17 . 1 1 27 27 GLY C C 27 174.057 174.057 174.452 -0.395 25124 11298 1 17 . 1 1 27 27 GLY CA C 27 45.333 45.333 45.240 0.093 25124 11299 1 17 . 1 1 27 27 GLY H H 27 7.868 7.868 7.955 -0.087 25124 11300 1 17 . 1 1 28 28 LEU N N 28 120.273 120.273 121.786 -1.513 25124 11301 1 17 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.192 0.383 25124 11302 1 17 . 1 1 28 28 LEU C C 28 175.988 175.988 176.801 -0.813 25124 11303 1 17 . 1 1 28 28 LEU CA C 28 53.881 53.881 54.800 -0.919 25124 11304 1 17 . 1 1 28 28 LEU CB C 28 42.540 42.540 41.919 0.621 25124 11305 1 17 . 1 1 28 28 LEU H H 28 7.659 7.659 7.570 0.089 25124 11306 1 17 . 1 1 29 29 THR N N 29 118.173 118.173 117.881 0.292 25124 11307 1 17 . 1 1 29 29 THR HA H 29 4.346 4.346 4.254 0.092 25124 11308 1 17 . 1 1 29 29 THR C C 29 173.344 173.344 173.687 -0.343 25124 11309 1 17 . 1 1 29 29 THR CA C 29 62.598 62.598 63.520 -0.922 25124 11310 1 17 . 1 1 29 29 THR CB C 29 69.423 69.423 69.211 0.212 25124 11311 1 17 . 1 1 29 29 THR H H 29 8.562 8.562 8.141 0.421 25124 11312 1 17 . 1 1 30 30 CYS N N 30 128.450 128.450 127.321 1.129 25124 11313 1 17 . 1 1 30 30 CYS HA H 30 6.012 6.012 4.774 1.238 25124 11314 1 17 . 1 1 30 30 CYS C C 30 173.978 173.978 173.906 0.072 25124 11315 1 17 . 1 1 30 30 CYS CA C 30 56.424 56.424 57.265 -0.841 25124 11316 1 17 . 1 1 30 30 CYS CB C 30 29.615 29.615 28.852 0.763 25124 11317 1 17 . 1 1 30 30 CYS H H 30 9.035 9.035 8.594 0.441 25124 11318 1 17 . 1 1 31 31 THR N N 31 126.377 126.377 125.287 1.090 25124 11319 1 17 . 1 1 31 31 THR HA H 31 4.442 4.442 4.600 -0.158 25124 11320 1 17 . 1 1 31 31 THR C C 31 172.683 172.683 172.574 0.109 25124 11321 1 17 . 1 1 31 31 THR CA C 31 61.956 61.956 61.822 0.134 25124 11322 1 17 . 1 1 31 31 THR CB C 31 70.624 70.624 71.873 -1.249 25124 11323 1 17 . 1 1 31 31 THR H H 31 8.510 8.510 8.630 -0.120 25124 11324 1 17 . 1 1 32 32 THR N N 32 115.988 115.988 113.988 2.000 25124 11325 1 17 . 1 1 32 32 THR HA H 32 5.454 5.454 4.776 0.678 25124 11326 1 17 . 1 1 32 32 THR C C 32 172.259 172.259 172.035 0.224 25124 11327 1 17 . 1 1 32 32 THR CA C 32 59.101 59.101 60.051 -0.950 25124 11328 1 17 . 1 1 32 32 THR CB C 32 71.173 71.173 71.502 -0.329 25124 11329 1 17 . 1 1 32 32 THR H H 32 8.301 8.301 7.856 0.445 25124 11330 1 17 . 1 1 33 33 PHE N N 33 117.690 117.690 117.793 -0.103 25124 11331 1 17 . 1 1 33 33 PHE HA H 33 4.723 4.723 4.648 0.075 25124 11332 1 17 . 1 1 33 33 PHE C C 33 174.507 174.507 175.186 -0.679 25124 11333 1 17 . 1 1 33 33 PHE CA C 33 56.504 56.504 58.931 -2.426 25124 11334 1 17 . 1 1 33 33 PHE CB C 33 43.589 43.589 40.531 3.058 25124 11335 1 17 . 1 1 33 33 PHE H H 33 8.834 8.834 8.562 0.272 25124 11336 1 17 . 1 1 34 34 GLU N N 34 118.296 118.296 115.592 2.704 25124 11337 1 17 . 1 1 34 34 GLU HA H 34 4.451 4.451 4.564 -0.113 25124 11338 1 17 . 1 1 34 34 GLU C C 34 174.957 174.957 174.217 0.740 25124 11339 1 17 . 1 1 34 34 GLU CA C 34 56.661 56.661 57.126 -0.465 25124 11340 1 17 . 1 1 34 34 GLU CB C 34 31.792 31.792 31.442 0.350 25124 11341 1 17 . 1 1 34 34 GLU H H 34 9.096 9.096 8.646 0.450 25124 11342 1 17 . 1 1 35 35 ASN N N 35 108.486 108.486 116.377 -7.891 25124 11343 1 17 . 1 1 35 35 ASN HA H 35 4.960 4.960 5.088 -0.128 25124 11344 1 17 . 1 1 35 35 ASN C C 35 175.353 175.353 176.713 -1.360 25124 11345 1 17 . 1 1 35 35 ASN CA C 35 52.364 52.364 52.173 0.191 25124 11346 1 17 . 1 1 35 35 ASN CB C 35 40.932 40.932 41.010 -0.078 25124 11347 1 17 . 1 1 35 35 ASN H H 35 7.286 7.286 7.766 -0.480 25124 11348 1 17 . 1 1 36 36 GLY N N 36 105.329 105.329 109.484 -4.155 25124 11349 1 17 . 1 1 36 36 GLY C C 36 174.586 174.586 176.017 -1.431 25124 11350 1 17 . 1 1 36 36 GLY CA C 36 47.533 47.533 47.555 -0.022 25124 11351 1 17 . 1 1 36 36 GLY H H 36 9.369 9.369 9.029 0.340 25124 11352 1 17 . 1 1 37 37 ASN N N 37 120.396 120.396 119.419 0.977 25124 11353 1 17 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.371 -0.009 25124 11354 1 17 . 1 1 37 37 ASN C C 37 178.791 178.791 177.811 0.980 25124 11355 1 17 . 1 1 37 37 ASN CA C 37 56.843 56.843 56.100 0.743 25124 11356 1 17 . 1 1 37 37 ASN CB C 37 37.716 37.716 38.283 -0.567 25124 11357 1 17 . 1 1 37 37 ASN H H 37 8.440 8.440 8.422 0.018 25124 11358 1 17 . 1 1 38 38 GLU N N 38 119.334 119.334 119.697 -0.363 25124 11359 1 17 . 1 1 38 38 GLU HA H 38 4.058 4.058 3.843 0.215 25124 11360 1 17 . 1 1 38 38 GLU C C 38 179.372 179.372 178.856 0.516 25124 11361 1 17 . 1 1 38 38 GLU CA C 38 58.790 58.790 59.146 -0.356 25124 11362 1 17 . 1 1 38 38 GLU CB C 38 30.692 30.692 29.213 1.479 25124 11363 1 17 . 1 1 38 38 GLU H H 38 8.063 8.063 7.628 0.435 25124 11364 1 17 . 1 1 39 39 VAL N N 39 119.047 119.047 119.552 -0.505 25124 11365 1 17 . 1 1 39 39 VAL HA H 39 2.599 2.599 2.959 -0.360 25124 11366 1 17 . 1 1 39 39 VAL C C 39 176.807 176.807 177.761 -0.954 25124 11367 1 17 . 1 1 39 39 VAL CA C 39 65.222 65.222 65.452 -0.230 25124 11368 1 17 . 1 1 39 39 VAL CB C 39 31.078 31.078 30.887 0.191 25124 11369 1 17 . 1 1 39 39 VAL H H 39 6.844 6.844 7.040 -0.196 25124 11370 1 17 . 1 1 40 40 LEU N N 40 118.385 118.385 121.550 -3.165 25124 11371 1 17 . 1 1 40 40 LEU HA H 40 3.929 3.929 3.938 -0.009 25124 11372 1 17 . 1 1 40 40 LEU C C 40 179.584 179.584 178.209 1.375 25124 11373 1 17 . 1 1 40 40 LEU CA C 40 57.943 57.943 58.256 -0.313 25124 11374 1 17 . 1 1 40 40 LEU CB C 40 40.932 40.932 40.220 0.712 25124 11375 1 17 . 1 1 40 40 LEU H H 40 7.715 7.715 8.138 -0.423 25124 11376 1 17 . 1 1 41 41 ALA N N 41 120.091 120.091 120.194 -0.103 25124 11377 1 17 . 1 1 41 41 ALA HA H 41 4.158 4.158 3.827 0.331 25124 11378 1 17 . 1 1 41 41 ALA C C 41 180.562 180.562 178.366 2.196 25124 11379 1 17 . 1 1 41 41 ALA CA C 41 54.717 54.717 54.542 0.175 25124 11380 1 17 . 1 1 41 41 ALA CB C 41 17.853 17.853 18.052 -0.199 25124 11381 1 17 . 1 1 41 41 ALA H H 41 7.671 7.671 7.671 -0.000 25124 11382 1 17 . 1 1 42 42 ALA N N 42 122.650 122.650 119.114 3.536 25124 11383 1 17 . 1 1 42 42 ALA HA H 42 4.221 4.221 4.218 0.003 25124 11384 1 17 . 1 1 42 42 ALA C C 42 180.166 180.166 179.780 0.386 25124 11385 1 17 . 1 1 42 42 ALA CA C 42 54.974 54.974 54.171 0.803 25124 11386 1 17 . 1 1 42 42 ALA CB C 42 19.488 19.488 18.362 1.126 25124 11387 1 17 . 1 1 42 42 ALA H H 42 7.573 7.573 7.011 0.562 25124 11388 1 17 . 1 1 43 43 LEU N N 43 119.321 119.321 120.792 -1.471 25124 11389 1 17 . 1 1 43 43 LEU HA H 43 5.260 5.260 4.654 0.606 25124 11390 1 17 . 1 1 43 43 LEU C C 43 177.389 177.389 179.597 -2.208 25124 11391 1 17 . 1 1 43 43 LEU CA C 43 55.446 55.446 57.647 -2.201 25124 11392 1 17 . 1 1 43 43 LEU CB C 43 42.879 42.879 42.204 0.675 25124 11393 1 17 . 1 1 43 43 LEU H H 43 8.289 8.289 8.402 -0.113 25124 11394 1 17 . 1 1 44 44 ALA N N 44 118.995 118.995 119.514 -0.519 25124 11395 1 17 . 1 1 44 44 ALA HA H 44 4.232 4.232 4.019 0.213 25124 11396 1 17 . 1 1 44 44 ALA C C 44 178.738 178.738 179.049 -0.311 25124 11397 1 17 . 1 1 44 44 ALA CA C 44 54.353 54.353 54.712 -0.359 25124 11398 1 17 . 1 1 44 44 ALA CB C 44 18.674 18.674 18.774 -0.100 25124 11399 1 17 . 1 1 44 44 ALA H H 44 7.307 7.307 8.170 -0.863 25124 11400 1 17 . 1 1 45 45 SER N N 45 108.530 108.530 111.243 -2.713 25124 11401 1 17 . 1 1 45 45 SER HA H 45 4.761 4.761 4.496 0.265 25124 11402 1 17 . 1 1 45 45 SER C C 45 173.344 173.344 175.095 -1.751 25124 11403 1 17 . 1 1 45 45 SER CA C 45 58.682 58.682 60.479 -1.797 25124 11404 1 17 . 1 1 45 45 SER CB C 45 65.446 65.446 64.118 1.328 25124 11405 1 17 . 1 1 45 45 SER H H 45 7.772 7.772 7.505 0.268 25124 11406 1 17 . 1 1 46 46 LYS N N 46 122.965 122.965 119.447 3.518 25124 11407 1 17 . 1 1 46 46 LYS HA H 46 4.608 4.608 4.598 0.010 25124 11408 1 17 . 1 1 46 46 LYS C C 46 172.815 172.815 174.095 -1.280 25124 11409 1 17 . 1 1 46 46 LYS CA C 46 55.601 55.601 55.651 -0.050 25124 11410 1 17 . 1 1 46 46 LYS CB C 46 36.399 36.399 35.618 0.781 25124 11411 1 17 . 1 1 46 46 LYS H H 46 8.096 8.096 8.386 -0.290 25124 11412 1 17 . 1 1 47 47 THR N N 47 111.524 111.524 117.470 -5.946 25124 11413 1 17 . 1 1 47 47 THR HA H 47 4.307 4.307 4.572 -0.265 25124 11414 1 17 . 1 1 47 47 THR CA C 47 57.896 57.896 58.681 -0.784 25124 11415 1 17 . 1 1 47 47 THR CB C 47 70.570 70.570 68.961 1.609 25124 11416 1 17 . 1 1 47 47 THR H H 47 7.708 7.708 8.263 -0.555 25124 11417 1 17 . 1 1 48 48 PRO HA H 48 3.944 3.944 4.012 -0.068 25124 11418 1 17 . 1 1 48 48 PRO C C 48 173.079 173.079 175.831 -2.752 25124 11419 1 17 . 1 1 48 48 PRO CA C 48 60.922 60.922 62.187 -1.265 25124 11420 1 17 . 1 1 48 48 PRO CB C 48 30.353 30.353 32.091 -1.738 25124 11421 1 17 . 1 1 49 49 ASP N N 49 115.001 115.001 118.587 -3.586 25124 11422 1 17 . 1 1 49 49 ASP HA H 49 4.460 4.460 4.639 -0.179 25124 11423 1 17 . 1 1 49 49 ASP C C 49 175.591 175.591 176.252 -0.661 25124 11424 1 17 . 1 1 49 49 ASP CA C 49 56.504 56.504 56.072 0.432 25124 11425 1 17 . 1 1 49 49 ASP CB C 49 42.625 42.625 42.446 0.179 25124 11426 1 17 . 1 1 49 49 ASP H H 49 8.535 8.535 8.238 0.297 25124 11427 1 17 . 1 1 50 50 VAL N N 50 111.832 111.832 117.363 -5.531 25124 11428 1 17 . 1 1 50 50 VAL HA H 50 4.316 4.316 4.412 -0.096 25124 11429 1 17 . 1 1 50 50 VAL C C 50 171.572 171.572 173.895 -2.323 25124 11430 1 17 . 1 1 50 50 VAL CA C 50 60.398 60.398 61.503 -1.105 25124 11431 1 17 . 1 1 50 50 VAL CB C 50 34.650 34.650 35.017 -0.366 25124 11432 1 17 . 1 1 50 50 VAL H H 50 7.194 7.194 7.499 -0.305 25124 11433 1 17 . 1 1 51 51 LEU N N 51 127.785 127.785 127.454 0.331 25124 11434 1 17 . 1 1 51 51 LEU HA H 51 5.376 5.376 5.192 0.184 25124 11435 1 17 . 1 1 51 51 LEU C C 51 173.264 173.264 175.544 -2.280 25124 11436 1 17 . 1 1 51 51 LEU CA C 51 53.137 53.137 53.425 -0.288 25124 11437 1 17 . 1 1 51 51 LEU CB C 51 46.680 46.680 45.717 0.963 25124 11438 1 17 . 1 1 51 51 LEU H H 51 8.049 8.049 8.552 -0.503 25124 11439 1 17 . 1 1 52 52 LEU N N 52 128.943 128.943 127.773 1.170 25124 11440 1 17 . 1 1 52 52 LEU HA H 52 5.312 5.312 4.897 0.415 25124 11441 1 17 . 1 1 52 52 LEU C C 52 174.692 174.692 176.819 -2.127 25124 11442 1 17 . 1 1 52 52 LEU CA C 52 54.313 54.313 53.969 0.344 25124 11443 1 17 . 1 1 52 52 LEU CB C 52 43.961 43.961 40.388 3.574 25124 11444 1 17 . 1 1 52 52 LEU H H 52 9.278 9.278 8.321 0.957 25124 11445 1 17 . 1 1 53 53 SER N N 53 116.717 116.717 117.586 -0.869 25124 11446 1 17 . 1 1 53 53 SER HA H 53 5.395 5.395 4.394 1.001 25124 11447 1 17 . 1 1 53 53 SER C C 53 173.608 173.608 173.725 -0.117 25124 11448 1 17 . 1 1 53 53 SER CA C 53 56.226 56.226 58.611 -2.385 25124 11449 1 17 . 1 1 53 53 SER CB C 53 65.753 65.753 64.356 1.397 25124 11450 1 17 . 1 1 53 53 SER H H 53 9.256 9.256 7.744 1.512 25124 11451 1 17 . 1 1 54 54 ASP N N 54 127.909 127.909 119.373 8.536 25124 11452 1 17 . 1 1 54 54 ASP HA H 54 5.622 5.622 5.600 0.022 25124 11453 1 17 . 1 1 54 54 ASP C C 54 175.723 175.723 175.881 -0.158 25124 11454 1 17 . 1 1 54 54 ASP CA C 54 53.268 53.268 52.768 0.500 25124 11455 1 17 . 1 1 54 54 ASP CB C 54 44.386 44.386 45.252 -0.866 25124 11456 1 17 . 1 1 54 54 ASP H H 54 8.219 8.219 8.461 -0.242 25124 11457 1 17 . 1 1 55 55 ILE N N 55 117.015 117.015 114.781 2.234 25124 11458 1 17 . 1 1 55 55 ILE HA H 55 4.116 4.116 4.521 -0.405 25124 11459 1 17 . 1 1 55 55 ILE C C 55 176.913 176.913 175.535 1.378 25124 11460 1 17 . 1 1 55 55 ILE CA C 55 65.290 65.290 60.572 4.718 25124 11461 1 17 . 1 1 55 55 ILE CB C 55 38.487 38.487 38.120 0.367 25124 11462 1 17 . 1 1 55 55 ILE H H 55 7.812 7.812 8.479 -0.667 25124 11463 1 17 . 1 1 56 56 ARG N N 56 117.365 117.365 121.247 -3.882 25124 11464 1 17 . 1 1 56 56 ARG HA H 56 4.379 4.379 4.454 -0.075 25124 11465 1 17 . 1 1 56 56 ARG C C 56 172.788 172.788 174.630 -1.842 25124 11466 1 17 . 1 1 56 56 ARG CA C 56 57.034 57.034 55.552 1.482 25124 11467 1 17 . 1 1 56 56 ARG CB C 56 27.600 27.600 30.618 -3.018 25124 11468 1 17 . 1 1 56 56 ARG H H 56 8.991 8.991 8.005 0.986 25124 11469 1 17 . 1 1 57 57 MET N N 57 129.539 129.539 119.351 10.188 25124 11470 1 17 . 1 1 57 57 MET HA H 57 4.767 4.767 4.853 -0.085 25124 11471 1 17 . 1 1 57 57 MET CA C 57 53.641 53.641 53.003 0.638 25124 11472 1 17 . 1 1 57 57 MET CB C 57 36.484 36.484 33.591 2.893 25124 11473 1 17 . 1 1 57 57 MET H H 57 7.501 7.501 7.974 -0.473 25124 11474 1 17 . 1 1 58 58 PRO HA H 58 4.379 4.379 4.426 -0.047 25124 11475 1 17 . 1 1 58 58 PRO C C 58 177.495 177.495 177.306 0.189 25124 11476 1 17 . 1 1 58 58 PRO CA C 58 63.104 63.104 63.763 -0.659 25124 11477 1 17 . 1 1 58 58 PRO CB C 58 31.922 31.922 32.147 -0.225 25124 11478 1 17 . 1 1 59 59 GLY N N 59 112.312 112.312 108.622 3.690 25124 11479 1 17 . 1 1 59 59 GLY C C 59 173.793 173.793 174.794 -1.001 25124 11480 1 17 . 1 1 59 59 GLY CA C 59 46.430 46.430 47.187 -0.757 25124 11481 1 17 . 1 1 59 59 GLY H H 59 8.656 8.656 8.050 0.606 25124 11482 1 17 . 1 1 60 60 MET N N 60 124.343 124.343 116.988 7.355 25124 11483 1 17 . 1 1 60 60 MET HA H 60 4.344 4.344 4.636 -0.292 25124 11484 1 17 . 1 1 60 60 MET C C 60 174.190 174.190 174.950 -0.760 25124 11485 1 17 . 1 1 60 60 MET CA C 60 55.871 55.871 55.333 0.538 25124 11486 1 17 . 1 1 60 60 MET CB C 60 34.955 34.955 34.224 0.731 25124 11487 1 17 . 1 1 60 60 MET H H 60 7.778 7.778 8.005 -0.227 25124 11488 1 17 . 1 1 61 61 ASP N N 61 124.993 124.993 116.492 8.501 25124 11489 1 17 . 1 1 61 61 ASP HA H 61 4.870 4.870 4.683 0.187 25124 11490 1 17 . 1 1 61 61 ASP C C 61 176.966 176.966 176.140 0.826 25124 11491 1 17 . 1 1 61 61 ASP CA C 61 53.490 53.490 53.429 0.061 25124 11492 1 17 . 1 1 61 61 ASP CB C 61 42.347 42.347 42.076 0.271 25124 11493 1 17 . 1 1 61 61 ASP H H 61 8.378 8.378 7.557 0.821 25124 11494 1 17 . 1 1 62 62 GLY N N 62 105.163 105.163 106.398 -1.235 25124 11495 1 17 . 1 1 62 62 GLY C C 62 175.935 175.935 175.883 0.052 25124 11496 1 17 . 1 1 62 62 GLY CA C 62 46.755 46.755 46.012 0.743 25124 11497 1 17 . 1 1 62 62 GLY H H 62 10.153 10.153 8.387 1.766 25124 11498 1 17 . 1 1 63 63 LEU N N 63 120.509 120.509 122.554 -2.045 25124 11499 1 17 . 1 1 63 63 LEU HA H 63 4.293 4.293 3.982 0.311 25124 11500 1 17 . 1 1 63 63 LEU C C 63 179.293 179.293 179.054 0.239 25124 11501 1 17 . 1 1 63 63 LEU CA C 63 57.148 57.148 57.152 -0.004 25124 11502 1 17 . 1 1 63 63 LEU CB C 63 40.053 40.053 41.628 -1.575 25124 11503 1 17 . 1 1 63 63 LEU H H 63 8.119 8.119 8.065 0.054 25124 11504 1 17 . 1 1 64 64 ALA N N 64 126.234 126.234 122.085 4.149 25124 11505 1 17 . 1 1 64 64 ALA HA H 64 4.112 4.112 4.085 0.027 25124 11506 1 17 . 1 1 64 64 ALA C C 64 181.223 181.223 178.762 2.461 25124 11507 1 17 . 1 1 64 64 ALA CA C 64 54.802 54.802 54.942 -0.140 25124 11508 1 17 . 1 1 64 64 ALA CB C 64 18.133 18.133 18.385 -0.252 25124 11509 1 17 . 1 1 64 64 ALA H H 64 8.303 8.303 8.107 0.196 25124 11510 1 17 . 1 1 65 65 LEU N N 65 120.067 120.067 118.328 1.739 25124 11511 1 17 . 1 1 65 65 LEU HA H 65 4.044 4.044 4.284 -0.240 25124 11512 1 17 . 1 1 65 65 LEU C C 65 177.548 177.548 178.355 -0.807 25124 11513 1 17 . 1 1 65 65 LEU CA C 65 58.197 58.197 57.018 1.179 25124 11514 1 17 . 1 1 65 65 LEU CB C 65 41.727 41.727 42.862 -1.135 25124 11515 1 17 . 1 1 65 65 LEU H H 65 8.398 8.398 7.462 0.936 25124 11516 1 17 . 1 1 66 66 LEU N N 66 120.890 120.890 120.214 0.676 25124 11517 1 17 . 1 1 66 66 LEU HA H 66 3.848 3.848 4.068 -0.220 25124 11518 1 17 . 1 1 66 66 LEU C C 66 177.230 177.230 178.292 -1.062 25124 11519 1 17 . 1 1 66 66 LEU CA C 66 58.736 58.736 57.487 1.249 25124 11520 1 17 . 1 1 66 66 LEU CB C 66 41.803 41.803 41.825 -0.022 25124 11521 1 17 . 1 1 66 66 LEU H H 66 8.203 8.203 8.433 -0.230 25124 11522 1 17 . 1 1 67 67 LYS N N 67 116.919 116.919 118.208 -1.289 25124 11523 1 17 . 1 1 67 67 LYS HA H 67 4.004 4.004 3.950 0.054 25124 11524 1 17 . 1 1 67 67 LYS C C 67 179.452 179.452 179.079 0.373 25124 11525 1 17 . 1 1 67 67 LYS CA C 67 59.733 59.733 59.353 0.380 25124 11526 1 17 . 1 1 67 67 LYS CB C 67 32.415 32.415 32.032 0.383 25124 11527 1 17 . 1 1 67 67 LYS H H 67 7.667 7.667 8.046 -0.379 25124 11528 1 17 . 1 1 68 68 GLN N N 68 116.851 116.851 118.876 -2.025 25124 11529 1 17 . 1 1 68 68 GLN HA H 68 4.046 4.046 4.084 -0.038 25124 11530 1 17 . 1 1 68 68 GLN C C 68 179.319 179.319 178.196 1.123 25124 11531 1 17 . 1 1 68 68 GLN CA C 68 58.820 58.820 58.857 -0.037 25124 11532 1 17 . 1 1 68 68 GLN CB C 68 28.660 28.660 29.327 -0.667 25124 11533 1 17 . 1 1 68 68 GLN H H 68 7.677 7.677 7.436 0.241 25124 11534 1 17 . 1 1 69 69 ILE N N 69 120.670 120.670 115.364 5.306 25124 11535 1 17 . 1 1 69 69 ILE HA H 69 3.564 3.564 3.943 -0.379 25124 11536 1 17 . 1 1 69 69 ILE C C 69 177.786 177.786 177.581 0.205 25124 11537 1 17 . 1 1 69 69 ILE CA C 69 65.381 65.381 64.140 1.241 25124 11538 1 17 . 1 1 69 69 ILE CB C 69 37.186 37.186 37.463 -0.277 25124 11539 1 17 . 1 1 69 69 ILE H H 69 8.918 8.918 7.411 1.507 25124 11540 1 17 . 1 1 70 70 LYS N N 70 118.002 118.002 117.673 0.329 25124 11541 1 17 . 1 1 70 70 LYS HA H 70 3.936 3.936 4.196 -0.260 25124 11542 1 17 . 1 1 70 70 LYS C C 70 177.944 177.944 178.282 -0.338 25124 11543 1 17 . 1 1 70 70 LYS CA C 70 57.351 57.351 57.690 -0.339 25124 11544 1 17 . 1 1 70 70 LYS CB C 70 31.440 31.440 32.337 -0.897 25124 11545 1 17 . 1 1 70 70 LYS H H 70 8.592 8.592 8.009 0.583 25124 11546 1 17 . 1 1 71 71 GLN N N 71 114.891 114.891 117.819 -2.928 25124 11547 1 17 . 1 1 71 71 GLN HA H 71 4.063 4.063 4.238 -0.175 25124 11548 1 17 . 1 1 71 71 GLN C C 71 177.019 177.019 178.162 -1.143 25124 11549 1 17 . 1 1 71 71 GLN CA C 71 58.007 58.007 56.861 1.146 25124 11550 1 17 . 1 1 71 71 GLN CB C 71 29.168 29.168 29.385 -0.217 25124 11551 1 17 . 1 1 71 71 GLN H H 71 7.266 7.266 7.506 -0.240 25124 11552 1 17 . 1 1 72 72 ARG N N 72 116.364 116.364 119.512 -3.148 25124 11553 1 17 . 1 1 72 72 ARG HA H 72 4.130 4.130 3.935 0.195 25124 11554 1 17 . 1 1 72 72 ARG C C 72 175.803 175.803 175.566 0.237 25124 11555 1 17 . 1 1 72 72 ARG CA C 72 57.174 57.174 58.143 -0.969 25124 11556 1 17 . 1 1 72 72 ARG CB C 72 32.638 32.638 30.423 2.215 25124 11557 1 17 . 1 1 72 72 ARG H H 72 7.254 7.254 8.179 -0.925 25124 11558 1 17 . 1 1 73 73 HIS N N 73 116.981 116.981 109.914 7.067 25124 11559 1 17 . 1 1 73 73 HIS HA H 73 4.994 4.994 4.887 0.107 25124 11560 1 17 . 1 1 73 73 HIS CA C 73 53.252 53.252 53.274 -0.022 25124 11561 1 17 . 1 1 73 73 HIS CB C 73 31.026 31.026 29.640 1.386 25124 11562 1 17 . 1 1 73 73 HIS H H 73 8.828 8.828 7.204 1.624 25124 11563 1 17 . 1 1 74 74 PRO HA H 74 4.435 4.435 4.559 -0.124 25124 11564 1 17 . 1 1 74 74 PRO C C 74 178.156 178.156 176.936 1.220 25124 11565 1 17 . 1 1 74 74 PRO CA C 74 65.284 65.284 63.784 1.500 25124 11566 1 17 . 1 1 74 74 PRO CB C 74 32.130 32.130 31.850 0.280 25124 11567 1 17 . 1 1 75 75 MET N N 75 114.676 114.676 116.387 -1.711 25124 11568 1 17 . 1 1 75 75 MET HA H 75 4.587 4.587 4.327 0.260 25124 11569 1 17 . 1 1 75 75 MET C C 75 176.067 176.067 176.124 -0.057 25124 11570 1 17 . 1 1 75 75 MET CA C 75 54.304 54.304 55.817 -1.513 25124 11571 1 17 . 1 1 75 75 MET CB C 75 31.623 31.623 32.544 -0.920 25124 11572 1 17 . 1 1 75 75 MET H H 75 8.648 8.648 7.924 0.724 25124 11573 1 17 . 1 1 76 76 LEU N N 76 125.720 125.720 118.617 7.103 25124 11574 1 17 . 1 1 76 76 LEU HA H 76 4.293 4.293 4.653 -0.360 25124 11575 1 17 . 1 1 76 76 LEU CA C 76 53.472 53.472 52.153 1.319 25124 11576 1 17 . 1 1 76 76 LEU CB C 76 43.540 43.540 41.696 1.844 25124 11577 1 17 . 1 1 76 76 LEU H H 76 7.342 7.342 7.402 -0.060 25124 11578 1 17 . 1 1 77 77 PRO HA H 77 4.440 4.440 4.514 -0.074 25124 11579 1 17 . 1 1 77 77 PRO C C 77 175.062 175.062 175.904 -0.842 25124 11580 1 17 . 1 1 77 77 PRO CA C 77 62.841 62.841 62.475 0.366 25124 11581 1 17 . 1 1 77 77 PRO CB C 77 31.903 31.903 32.683 -0.780 25124 11582 1 17 . 1 1 78 78 VAL N N 78 123.116 123.116 120.144 2.972 25124 11583 1 17 . 1 1 78 78 VAL HA H 78 5.093 5.093 4.304 0.789 25124 11584 1 17 . 1 1 78 78 VAL C C 78 175.776 175.776 174.414 1.362 25124 11585 1 17 . 1 1 78 78 VAL CA C 78 60.083 60.083 61.132 -1.049 25124 11586 1 17 . 1 1 78 78 VAL CB C 78 34.245 34.245 35.758 -1.513 25124 11587 1 17 . 1 1 78 78 VAL H H 78 8.369 8.369 8.328 0.041 25124 11588 1 17 . 1 1 79 79 ILE N N 79 129.166 129.166 122.690 6.476 25124 11589 1 17 . 1 1 79 79 ILE HA H 79 4.499 4.499 4.596 -0.097 25124 11590 1 17 . 1 1 79 79 ILE C C 79 174.295 174.295 175.210 -0.915 25124 11591 1 17 . 1 1 79 79 ILE CA C 79 60.030 60.030 60.045 -0.015 25124 11592 1 17 . 1 1 79 79 ILE CB C 79 40.222 40.222 41.367 -1.145 25124 11593 1 17 . 1 1 79 79 ILE H H 79 9.436 9.436 7.780 1.656 25124 11594 1 17 . 1 1 80 80 ILE N N 80 128.234 128.234 126.023 2.211 25124 11595 1 17 . 1 1 80 80 ILE HA H 80 5.253 5.253 4.349 0.904 25124 11596 1 17 . 1 1 80 80 ILE C C 80 173.449 173.449 174.771 -1.322 25124 11597 1 17 . 1 1 80 80 ILE CA C 80 56.265 56.265 59.934 -3.668 25124 11598 1 17 . 1 1 80 80 ILE CB C 80 38.176 38.176 37.893 0.283 25124 11599 1 17 . 1 1 80 80 ILE H H 80 7.920 7.920 8.244 -0.324 25124 11600 1 17 . 1 1 81 81 MET N N 81 124.079 124.079 128.008 -3.929 25124 11601 1 17 . 1 1 81 81 MET HA H 81 5.489 5.489 4.691 0.798 25124 11602 1 17 . 1 1 81 81 MET C C 81 173.820 173.820 173.694 0.126 25124 11603 1 17 . 1 1 81 81 MET CA C 81 52.889 52.889 55.114 -2.225 25124 11604 1 17 . 1 1 81 81 MET CB C 81 36.663 36.663 35.011 1.652 25124 11605 1 17 . 1 1 81 81 MET H H 81 9.028 9.028 8.302 0.726 25124 11606 1 17 . 1 1 82 82 THR N N 82 108.434 108.434 118.264 -9.830 25124 11607 1 17 . 1 1 82 82 THR HA H 82 5.134 5.134 4.539 0.595 25124 11608 1 17 . 1 1 82 82 THR C C 82 172.550 172.550 172.266 0.284 25124 11609 1 17 . 1 1 82 82 THR CA C 82 60.642 60.642 60.995 -0.353 25124 11610 1 17 . 1 1 82 82 THR CB C 82 68.843 68.843 70.198 -1.355 25124 11611 1 17 . 1 1 82 82 THR H H 82 7.098 7.098 8.117 -1.020 25124 11612 1 17 . 1 1 83 83 ALA N N 83 128.991 128.991 123.683 5.308 25124 11613 1 17 . 1 1 83 83 ALA HA H 83 4.678 4.678 4.843 -0.165 25124 11614 1 17 . 1 1 83 83 ALA C C 83 177.812 177.812 176.824 0.988 25124 11615 1 17 . 1 1 83 83 ALA CA C 83 52.457 52.457 50.404 2.053 25124 11616 1 17 . 1 1 83 83 ALA CB C 83 19.396 19.396 21.119 -1.723 25124 11617 1 17 . 1 1 83 83 ALA H H 83 8.590 8.590 8.357 0.233 25124 11618 1 17 . 1 1 84 84 HIS N N 84 121.904 121.904 115.243 6.661 25124 11619 1 17 . 1 1 84 84 HIS HA H 84 4.576 4.576 4.234 0.342 25124 11620 1 17 . 1 1 84 84 HIS C C 84 175.512 175.512 176.091 -0.579 25124 11621 1 17 . 1 1 84 84 HIS CA C 84 56.674 56.674 58.168 -1.494 25124 11622 1 17 . 1 1 84 84 HIS CB C 84 29.589 29.589 29.470 0.119 25124 11623 1 17 . 1 1 84 84 HIS H H 84 8.865 8.865 8.986 -0.121 25124 11624 1 17 . 1 1 85 85 SER N N 85 114.679 114.679 115.619 -0.940 25124 11625 1 17 . 1 1 85 85 SER HA H 85 4.303 4.303 4.046 0.257 25124 11626 1 17 . 1 1 85 85 SER C C 85 174.560 174.560 173.506 1.054 25124 11627 1 17 . 1 1 85 85 SER CA C 85 58.970 58.970 59.119 -0.149 25124 11628 1 17 . 1 1 85 85 SER CB C 85 62.829 62.829 63.315 -0.486 25124 11629 1 17 . 1 1 85 85 SER H H 85 8.016 8.016 7.497 0.519 25124 11630 1 17 . 1 1 86 86 ASP N N 86 122.325 122.325 120.524 1.801 25124 11631 1 17 . 1 1 86 86 ASP HA H 86 4.761 4.761 4.269 0.492 25124 11632 1 17 . 1 1 86 86 ASP C C 86 176.094 176.094 176.927 -0.833 25124 11633 1 17 . 1 1 86 86 ASP CA C 86 53.627 53.627 55.926 -2.299 25124 11634 1 17 . 1 1 86 86 ASP CB C 86 40.942 40.942 39.678 1.264 25124 11635 1 17 . 1 1 86 86 ASP H H 86 8.054 8.054 8.629 -0.575 25124 11636 1 17 . 1 1 87 87 LEU N N 87 122.041 122.041 119.929 2.112 25124 11637 1 17 . 1 1 87 87 LEU HA H 87 4.069 4.069 3.977 0.092 25124 11638 1 17 . 1 1 87 87 LEU C C 87 177.892 177.892 177.444 0.448 25124 11639 1 17 . 1 1 87 87 LEU CA C 87 57.182 57.182 57.157 0.025 25124 11640 1 17 . 1 1 87 87 LEU CB C 87 42.015 42.015 41.872 0.143 25124 11641 1 17 . 1 1 87 87 LEU H H 87 8.005 8.005 7.458 0.547 25124 11642 1 17 . 1 1 88 88 ASP N N 88 118.050 118.050 120.428 -2.378 25124 11643 1 17 . 1 1 88 88 ASP HA H 88 4.370 4.370 4.232 0.138 25124 11644 1 17 . 1 1 88 88 ASP C C 88 178.103 178.103 177.785 0.318 25124 11645 1 17 . 1 1 88 88 ASP CA C 88 56.342 56.342 57.101 -0.759 25124 11646 1 17 . 1 1 88 88 ASP CB C 88 40.280 40.280 40.423 -0.143 25124 11647 1 17 . 1 1 88 88 ASP H H 88 8.243 8.243 8.462 -0.219 25124 11648 1 17 . 1 1 89 89 ALA N N 89 122.780 122.780 121.441 1.339 25124 11649 1 17 . 1 1 89 89 ALA HA H 89 4.038 4.038 4.044 -0.006 25124 11650 1 17 . 1 1 89 89 ALA C C 89 178.526 178.526 178.971 -0.445 25124 11651 1 17 . 1 1 89 89 ALA CA C 89 54.655 54.655 54.424 0.231 25124 11652 1 17 . 1 1 89 89 ALA CB C 89 18.809 18.809 18.128 0.681 25124 11653 1 17 . 1 1 89 89 ALA H H 89 7.890 7.890 7.726 0.164 25124 11654 1 17 . 1 1 90 90 ALA N N 90 120.040 120.040 120.582 -0.542 25124 11655 1 17 . 1 1 90 90 ALA HA H 90 3.254 3.254 3.723 -0.469 25124 11656 1 17 . 1 1 90 90 ALA C C 90 178.976 178.976 179.484 -0.508 25124 11657 1 17 . 1 1 90 90 ALA CA C 90 55.050 55.050 54.636 0.414 25124 11658 1 17 . 1 1 90 90 ALA CB C 90 17.725 17.725 17.986 -0.261 25124 11659 1 17 . 1 1 90 90 ALA H H 90 7.513 7.513 7.844 -0.331 25124 11660 1 17 . 1 1 91 91 VAL N N 91 116.635 116.635 118.265 -1.630 25124 11661 1 17 . 1 1 91 91 VAL HA H 91 3.637 3.637 3.805 -0.168 25124 11662 1 17 . 1 1 91 91 VAL C C 91 178.632 178.632 177.532 1.100 25124 11663 1 17 . 1 1 91 91 VAL CA C 91 65.971 65.971 65.819 0.153 25124 11664 1 17 . 1 1 91 91 VAL CB C 91 31.623 31.623 31.546 0.077 25124 11665 1 17 . 1 1 91 91 VAL H H 91 7.877 7.877 7.451 0.426 25124 11666 1 17 . 1 1 92 92 SER N N 92 115.439 115.439 115.475 -0.036 25124 11667 1 17 . 1 1 92 92 SER HA H 92 4.215 4.215 3.981 0.234 25124 11668 1 17 . 1 1 92 92 SER C C 92 175.961 175.961 176.573 -0.612 25124 11669 1 17 . 1 1 92 92 SER CA C 92 61.401 61.401 61.470 -0.069 25124 11670 1 17 . 1 1 92 92 SER CB C 92 62.966 62.966 62.962 0.004 25124 11671 1 17 . 1 1 92 92 SER H H 92 7.912 7.912 7.547 0.365 25124 11672 1 17 . 1 1 93 93 ALA N N 93 122.647 122.647 123.922 -1.275 25124 11673 1 17 . 1 1 93 93 ALA HA H 93 3.786 3.786 4.015 -0.229 25124 11674 1 17 . 1 1 93 93 ALA C C 93 179.293 179.293 180.040 -0.747 25124 11675 1 17 . 1 1 93 93 ALA CA C 93 55.172 55.172 54.840 0.332 25124 11676 1 17 . 1 1 93 93 ALA CB C 93 17.161 17.161 17.902 -0.741 25124 11677 1 17 . 1 1 93 93 ALA H H 93 8.199 8.199 8.273 -0.074 25124 11678 1 17 . 1 1 94 94 TYR N N 94 117.796 117.796 118.438 -0.642 25124 11679 1 17 . 1 1 94 94 TYR HA H 94 4.283 4.283 4.125 0.158 25124 11680 1 17 . 1 1 94 94 TYR C C 94 179.954 179.954 178.503 1.451 25124 11681 1 17 . 1 1 94 94 TYR CA C 94 61.216 61.216 60.262 0.954 25124 11682 1 17 . 1 1 94 94 TYR CB C 94 37.716 37.716 37.596 0.120 25124 11683 1 17 . 1 1 94 94 TYR H H 94 8.065 8.065 7.435 0.630 25124 11684 1 17 . 1 1 95 95 GLN N N 95 120.057 120.057 116.436 3.621 25124 11685 1 17 . 1 1 95 95 GLN HA H 95 4.005 4.005 4.089 -0.084 25124 11686 1 17 . 1 1 95 95 GLN C C 95 177.680 177.680 178.127 -0.447 25124 11687 1 17 . 1 1 95 95 GLN CA C 95 58.471 58.471 57.945 0.526 25124 11688 1 17 . 1 1 95 95 GLN CB C 95 28.334 28.334 28.591 -0.257 25124 11689 1 17 . 1 1 95 95 GLN H H 95 8.513 8.513 7.604 0.909 25124 11690 1 17 . 1 1 96 96 GLN N N 96 115.323 115.323 117.462 -2.139 25124 11691 1 17 . 1 1 96 96 GLN HA H 96 4.321 4.321 4.312 0.009 25124 11692 1 17 . 1 1 96 96 GLN C C 96 175.538 175.538 176.219 -0.681 25124 11693 1 17 . 1 1 96 96 GLN CA C 96 55.379 55.379 56.421 -1.042 25124 11694 1 17 . 1 1 96 96 GLN CB C 96 28.915 28.915 30.085 -1.170 25124 11695 1 17 . 1 1 96 96 GLN H H 96 7.774 7.774 7.897 -0.123 25124 11696 1 17 . 1 1 97 97 GLY N N 97 104.173 104.173 105.443 -1.270 25124 11697 1 17 . 1 1 97 97 GLY C C 97 175.168 175.168 173.312 1.856 25124 11698 1 17 . 1 1 97 97 GLY CA C 97 45.491 45.491 44.630 0.861 25124 11699 1 17 . 1 1 97 97 GLY H H 97 7.576 7.576 7.848 -0.272 25124 11700 1 17 . 1 1 98 98 ALA N N 98 123.484 123.484 121.582 1.902 25124 11701 1 17 . 1 1 98 98 ALA HA H 98 4.266 4.266 4.432 -0.166 25124 11702 1 17 . 1 1 98 98 ALA C C 98 176.067 176.067 176.524 -0.457 25124 11703 1 17 . 1 1 98 98 ALA CA C 98 53.008 53.008 52.315 0.693 25124 11704 1 17 . 1 1 98 98 ALA CB C 98 18.556 18.556 19.858 -1.302 25124 11705 1 17 . 1 1 98 98 ALA H H 98 8.358 8.358 7.729 0.629 25124 11706 1 17 . 1 1 99 99 PHE N N 99 123.551 123.551 120.710 2.841 25124 11707 1 17 . 1 1 99 99 PHE HA H 99 4.259 4.259 4.699 -0.440 25124 11708 1 17 . 1 1 99 99 PHE C C 99 175.432 175.432 175.613 -0.181 25124 11709 1 17 . 1 1 99 99 PHE CA C 99 60.274 60.274 59.688 0.585 25124 11710 1 17 . 1 1 99 99 PHE CB C 99 40.375 40.375 41.014 -0.639 25124 11711 1 17 . 1 1 99 99 PHE H H 99 9.477 9.477 8.394 1.083 25124 11712 1 17 . 1 1 100 100 ASP N N 100 110.678 110.678 114.588 -3.910 25124 11713 1 17 . 1 1 100 100 ASP HA H 100 4.547 4.547 4.876 -0.329 25124 11714 1 17 . 1 1 100 100 ASP C C 100 173.053 173.053 173.543 -0.490 25124 11715 1 17 . 1 1 100 100 ASP CA C 100 52.527 52.527 54.046 -1.519 25124 11716 1 17 . 1 1 100 100 ASP CB C 100 44.789 44.789 44.097 0.692 25124 11717 1 17 . 1 1 100 100 ASP H H 100 7.683 7.683 8.042 -0.359 25124 11718 1 17 . 1 1 101 101 TYR N N 101 122.174 122.174 121.247 0.927 25124 11719 1 17 . 1 1 101 101 TYR HA H 101 5.425 5.425 5.327 0.098 25124 11720 1 17 . 1 1 101 101 TYR C C 101 172.550 172.550 174.579 -2.029 25124 11721 1 17 . 1 1 101 101 TYR CA C 101 55.865 55.865 56.327 -0.462 25124 11722 1 17 . 1 1 101 101 TYR CB C 101 41.760 41.760 39.643 2.117 25124 11723 1 17 . 1 1 101 101 TYR H H 101 9.874 9.874 8.678 1.196 25124 11724 1 17 . 1 1 102 102 LEU N N 102 129.337 129.337 129.715 -0.378 25124 11725 1 17 . 1 1 102 102 LEU HA H 102 4.677 4.677 4.668 0.009 25124 11726 1 17 . 1 1 102 102 LEU CA C 102 50.418 50.418 50.770 -0.352 25124 11727 1 17 . 1 1 102 102 LEU CB C 102 45.066 45.066 43.597 1.469 25124 11728 1 17 . 1 1 102 102 LEU H H 102 8.974 8.974 8.035 0.939 25124 11729 1 17 . 1 1 103 103 PRO HA H 103 4.552 4.552 4.391 0.161 25124 11730 1 17 . 1 1 103 103 PRO C C 103 176.067 176.067 175.650 0.417 25124 11731 1 17 . 1 1 103 103 PRO CA C 103 61.951 61.951 62.286 -0.335 25124 11732 1 17 . 1 1 103 103 PRO CB C 103 31.829 31.829 32.400 -0.571 25124 11733 1 17 . 1 1 104 104 LYS N N 104 118.403 118.403 120.846 -2.443 25124 11734 1 17 . 1 1 104 104 LYS HA H 104 4.459 4.459 5.029 -0.570 25124 11735 1 17 . 1 1 104 104 LYS CA C 104 53.204 53.204 53.604 -0.400 25124 11736 1 17 . 1 1 104 104 LYS CB C 104 34.500 34.500 31.640 2.860 25124 11737 1 17 . 1 1 104 104 LYS H H 104 8.013 8.013 8.213 -0.200 25124 11738 1 17 . 1 1 105 105 PRO HA H 105 4.258 4.258 4.497 -0.239 25124 11739 1 17 . 1 1 105 105 PRO C C 105 174.930 174.930 175.951 -1.021 25124 11740 1 17 . 1 1 105 105 PRO CA C 105 62.213 62.213 63.139 -0.926 25124 11741 1 17 . 1 1 105 105 PRO CB C 105 34.151 34.151 31.822 2.329 25124 11742 1 17 . 1 1 106 106 PHE N N 106 116.796 116.796 120.509 -3.713 25124 11743 1 17 . 1 1 106 106 PHE HA H 106 5.169 5.169 4.767 0.402 25124 11744 1 17 . 1 1 106 106 PHE C C 106 175.194 175.194 174.909 0.285 25124 11745 1 17 . 1 1 106 106 PHE CA C 106 53.244 53.244 55.453 -2.209 25124 11746 1 17 . 1 1 106 106 PHE CB C 106 40.477 40.477 41.002 -0.525 25124 11747 1 17 . 1 1 106 106 PHE H H 106 7.399 7.399 7.433 -0.034 25124 11748 1 17 . 1 1 107 107 ASP N N 107 122.212 122.212 122.772 -0.560 25124 11749 1 17 . 1 1 107 107 ASP HA H 107 4.823 4.823 4.920 -0.097 25124 11750 1 17 . 1 1 107 107 ASP C C 107 177.812 177.812 177.189 0.623 25124 11751 1 17 . 1 1 107 107 ASP CA C 107 53.392 53.392 53.804 -0.412 25124 11752 1 17 . 1 1 107 107 ASP CB C 107 42.455 42.455 41.364 1.091 25124 11753 1 17 . 1 1 107 107 ASP H H 107 9.047 9.047 8.655 0.392 25124 11754 1 17 . 1 1 108 108 ILE N N 108 127.963 127.963 123.108 4.855 25124 11755 1 17 . 1 1 108 108 ILE HA H 108 3.949 3.949 3.971 -0.022 25124 11756 1 17 . 1 1 108 108 ILE C C 108 176.226 176.226 176.352 -0.126 25124 11757 1 17 . 1 1 108 108 ILE CA C 108 63.105 63.105 63.774 -0.669 25124 11758 1 17 . 1 1 108 108 ILE CB C 108 37.665 37.665 37.231 0.434 25124 11759 1 17 . 1 1 108 108 ILE H H 108 8.898 8.898 8.319 0.579 25124 11760 1 17 . 1 1 109 109 ASP N N 109 119.804 119.804 120.186 -0.382 25124 11761 1 17 . 1 1 109 109 ASP HA H 109 4.393 4.393 4.379 0.014 25124 11762 1 17 . 1 1 109 109 ASP C C 109 179.848 179.848 179.027 0.821 25124 11763 1 17 . 1 1 109 109 ASP CA C 109 57.483 57.483 57.772 -0.289 25124 11764 1 17 . 1 1 109 109 ASP CB C 109 39.986 39.986 39.709 0.277 25124 11765 1 17 . 1 1 109 109 ASP H H 109 8.098 8.098 8.599 -0.501 25124 11766 1 17 . 1 1 110 110 GLU N N 110 121.667 121.667 119.387 2.280 25124 11767 1 17 . 1 1 110 110 GLU HA H 110 4.085 4.085 4.316 -0.231 25124 11768 1 17 . 1 1 110 110 GLU C C 110 178.976 178.976 178.063 0.913 25124 11769 1 17 . 1 1 110 110 GLU CA C 110 58.790 58.790 58.025 0.765 25124 11770 1 17 . 1 1 110 110 GLU CB C 110 29.330 29.330 29.669 -0.339 25124 11771 1 17 . 1 1 110 110 GLU H H 110 8.059 8.059 7.931 0.128 25124 11772 1 17 . 1 1 111 111 ALA N N 111 122.208 122.208 123.156 -0.948 25124 11773 1 17 . 1 1 111 111 ALA HA H 111 3.758 3.758 4.189 -0.431 25124 11774 1 17 . 1 1 111 111 ALA C C 111 178.605 178.605 179.500 -0.895 25124 11775 1 17 . 1 1 111 111 ALA CA C 111 55.320 55.320 55.037 0.283 25124 11776 1 17 . 1 1 111 111 ALA CB C 111 18.174 18.174 18.424 -0.250 25124 11777 1 17 . 1 1 111 111 ALA H H 111 7.903 7.903 7.770 0.133 25124 11778 1 17 . 1 1 112 112 VAL N N 112 116.429 116.429 118.812 -2.383 25124 11779 1 17 . 1 1 112 112 VAL HA H 112 3.194 3.194 3.640 -0.446 25124 11780 1 17 . 1 1 112 112 VAL C C 112 177.230 177.230 177.853 -0.623 25124 11781 1 17 . 1 1 112 112 VAL CA C 112 67.154 67.154 65.997 1.157 25124 11782 1 17 . 1 1 112 112 VAL CB C 112 31.538 31.538 30.934 0.604 25124 11783 1 17 . 1 1 112 112 VAL H H 112 8.032 8.032 8.432 -0.400 25124 11784 1 17 . 1 1 113 113 ALA N N 113 120.198 120.198 119.898 0.300 25124 11785 1 17 . 1 1 113 113 ALA HA H 113 4.159 4.159 4.232 -0.073 25124 11786 1 17 . 1 1 113 113 ALA C C 113 180.589 180.589 179.159 1.430 25124 11787 1 17 . 1 1 113 113 ALA CA C 113 54.902 54.902 54.239 0.663 25124 11788 1 17 . 1 1 113 113 ALA CB C 113 17.980 17.980 18.664 -0.684 25124 11789 1 17 . 1 1 113 113 ALA H H 113 7.723 7.723 7.895 -0.172 25124 11790 1 17 . 1 1 114 114 LEU N N 114 120.742 120.742 120.143 0.599 25124 11791 1 17 . 1 1 114 114 LEU HA H 114 4.102 4.102 4.225 -0.123 25124 11792 1 17 . 1 1 114 114 LEU C C 114 178.605 178.605 178.223 0.382 25124 11793 1 17 . 1 1 114 114 LEU CA C 114 58.181 58.181 57.289 0.891 25124 11794 1 17 . 1 1 114 114 LEU CB C 114 42.032 42.032 42.096 -0.064 25124 11795 1 17 . 1 1 114 114 LEU H H 114 7.928 7.928 7.363 0.565 25124 11796 1 17 . 1 1 115 115 VAL N N 115 119.478 119.478 117.847 1.631 25124 11797 1 17 . 1 1 115 115 VAL HA H 115 3.250 3.250 3.468 -0.218 25124 11798 1 17 . 1 1 115 115 VAL C C 115 177.548 177.548 177.819 -0.271 25124 11799 1 17 . 1 1 115 115 VAL CA C 115 67.168 67.168 66.687 0.481 25124 11800 1 17 . 1 1 115 115 VAL CB C 115 30.760 30.760 31.631 -0.871 25124 11801 1 17 . 1 1 115 115 VAL H H 115 7.846 7.846 8.415 -0.569 25124 11802 1 17 . 1 1 116 116 GLU N N 116 117.570 117.570 117.300 0.270 25124 11803 1 17 . 1 1 116 116 GLU HA H 116 3.809 3.809 4.109 -0.300 25124 11804 1 17 . 1 1 116 116 GLU C C 116 179.557 179.557 178.374 1.183 25124 11805 1 17 . 1 1 116 116 GLU CA C 116 59.974 59.974 58.132 1.842 25124 11806 1 17 . 1 1 116 116 GLU CB C 116 29.084 29.084 28.925 0.159 25124 11807 1 17 . 1 1 116 116 GLU H H 116 8.462 8.462 7.827 0.635 25124 11808 1 17 . 1 1 117 117 ARG N N 117 120.263 120.263 120.432 -0.169 25124 11809 1 17 . 1 1 117 117 ARG HA H 117 4.109 4.109 4.062 0.047 25124 11810 1 17 . 1 1 117 117 ARG C C 117 178.500 178.500 177.872 0.628 25124 11811 1 17 . 1 1 117 117 ARG CA C 117 59.411 59.411 59.493 -0.082 25124 11812 1 17 . 1 1 117 117 ARG CB C 117 30.414 30.414 30.186 0.228 25124 11813 1 17 . 1 1 117 117 ARG H H 117 8.090 8.090 7.591 0.499 25124 11814 1 17 . 1 1 118 118 ALA N N 118 122.157 122.157 118.660 3.497 25124 11815 1 17 . 1 1 118 118 ALA HA H 118 3.467 3.467 4.243 -0.776 25124 11816 1 17 . 1 1 118 118 ALA C C 118 178.632 178.632 178.821 -0.189 25124 11817 1 17 . 1 1 118 118 ALA CA C 118 54.739 54.739 53.804 0.935 25124 11818 1 17 . 1 1 118 118 ALA CB C 118 18.280 18.280 18.448 -0.168 25124 11819 1 17 . 1 1 118 118 ALA H H 118 8.005 8.005 7.302 0.703 25124 11820 1 17 . 1 1 119 119 ILE N N 119 115.429 115.429 118.751 -3.322 25124 11821 1 17 . 1 1 119 119 ILE HA H 119 3.706 3.706 3.718 -0.012 25124 11822 1 17 . 1 1 119 119 ILE C C 119 177.442 177.442 177.755 -0.313 25124 11823 1 17 . 1 1 119 119 ILE CA C 119 63.910 63.910 64.654 -0.744 25124 11824 1 17 . 1 1 119 119 ILE CB C 119 37.939 37.939 37.663 0.276 25124 11825 1 17 . 1 1 119 119 ILE H H 119 7.788 7.788 7.368 0.420 25124 11826 1 17 . 1 1 120 120 SER N N 120 114.902 114.902 113.991 0.911 25124 11827 1 17 . 1 1 120 120 SER HA H 120 4.285 4.285 4.089 0.196 25124 11828 1 17 . 1 1 120 120 SER C C 120 175.142 175.142 175.756 -0.614 25124 11829 1 17 . 1 1 120 120 SER CA C 120 59.871 59.871 60.554 -0.683 25124 11830 1 17 . 1 1 120 120 SER CB C 120 63.522 63.522 63.250 0.272 25124 11831 1 17 . 1 1 120 120 SER H H 120 7.881 7.881 8.416 -0.535 25124 11832 1 17 . 1 1 121 121 HIS N N 121 119.927 119.927 121.505 -1.578 25124 11833 1 17 . 1 1 121 121 HIS HA H 121 4.439 4.439 4.374 0.065 25124 11834 1 17 . 1 1 121 121 HIS C C 121 174.957 174.957 176.238 -1.281 25124 11835 1 17 . 1 1 121 121 HIS CA C 121 57.362 57.362 59.251 -1.889 25124 11836 1 17 . 1 1 121 121 HIS CB C 121 29.496 29.496 30.394 -0.898 25124 11837 1 17 . 1 1 121 121 HIS H H 121 7.960 7.960 7.992 -0.032 25124 11838 1 17 . 1 1 122 122 TYR N N 122 118.745 118.745 114.260 4.485 25124 11839 1 17 . 1 1 122 122 TYR HA H 122 4.455 4.455 4.621 -0.166 25124 11840 1 17 . 1 1 122 122 TYR C C 122 175.353 175.353 176.055 -0.702 25124 11841 1 17 . 1 1 122 122 TYR CA C 122 58.528 58.528 58.476 0.052 25124 11842 1 17 . 1 1 122 122 TYR CB C 122 38.726 38.726 39.596 -0.870 25124 11843 1 17 . 1 1 122 122 TYR H H 122 7.776 7.776 7.635 0.141 25124 11844 1 17 . 1 1 123 123 GLN N N 123 121.424 121.424 119.544 1.880 25124 11845 1 17 . 1 1 123 123 GLN HA H 123 4.294 4.294 4.303 -0.009 25124 11846 1 17 . 1 1 123 123 GLN C C 123 174.560 174.560 174.449 0.111 25124 11847 1 17 . 1 1 123 123 GLN CA C 123 55.658 55.658 54.294 1.364 25124 11848 1 17 . 1 1 123 123 GLN CB C 123 29.877 29.877 31.317 -1.440 25124 11849 1 17 . 1 1 123 123 GLN H H 123 7.904 7.904 7.287 0.617 25124 11850 1 18 . 1 1 2 2 GLN HA H 2 4.453 4.453 4.013 0.440 25124 11851 1 18 . 1 1 2 2 GLN C C 2 174.930 174.930 173.709 1.221 25124 11852 1 18 . 1 1 2 2 GLN CA C 2 55.627 55.627 56.762 -1.135 25124 11853 1 18 . 1 1 2 2 GLN CB C 2 29.312 29.312 29.036 0.276 25124 11854 1 18 . 1 1 3 3 ARG N N 3 121.349 121.349 120.880 0.469 25124 11855 1 18 . 1 1 3 3 ARG HA H 3 4.390 4.390 4.537 -0.147 25124 11856 1 18 . 1 1 3 3 ARG C C 3 175.723 175.723 174.029 1.694 25124 11857 1 18 . 1 1 3 3 ARG CA C 3 56.041 56.041 55.987 0.054 25124 11858 1 18 . 1 1 3 3 ARG CB C 3 31.395 31.395 32.126 -0.731 25124 11859 1 18 . 1 1 3 3 ARG H H 3 8.451 8.451 8.163 0.288 25124 11860 1 18 . 1 1 4 4 GLY N N 4 107.889 107.889 109.928 -2.039 25124 11861 1 18 . 1 1 4 4 GLY C C 4 171.122 171.122 173.094 -1.972 25124 11862 1 18 . 1 1 4 4 GLY CA C 4 45.333 45.333 45.028 0.305 25124 11863 1 18 . 1 1 4 4 GLY H H 4 8.037 8.037 8.320 -0.283 25124 11864 1 18 . 1 1 5 5 ILE N N 5 122.674 122.674 122.587 0.087 25124 11865 1 18 . 1 1 5 5 ILE HA H 5 4.731 4.731 4.012 0.719 25124 11866 1 18 . 1 1 5 5 ILE C C 5 175.459 175.459 174.702 0.757 25124 11867 1 18 . 1 1 5 5 ILE CA C 5 60.614 60.614 62.080 -1.466 25124 11868 1 18 . 1 1 5 5 ILE CB C 5 39.535 39.535 37.263 2.272 25124 11869 1 18 . 1 1 5 5 ILE H H 5 9.605 9.605 8.426 1.179 25124 11870 1 18 . 1 1 6 6 VAL N N 6 127.532 127.532 128.339 -0.807 25124 11871 1 18 . 1 1 6 6 VAL HA H 6 4.892 4.892 4.241 0.651 25124 11872 1 18 . 1 1 6 6 VAL C C 6 174.110 174.110 174.740 -0.630 25124 11873 1 18 . 1 1 6 6 VAL CA C 6 59.255 59.255 61.898 -2.643 25124 11874 1 18 . 1 1 6 6 VAL CB C 6 34.530 34.530 32.253 2.277 25124 11875 1 18 . 1 1 6 6 VAL H H 6 9.135 9.135 8.157 0.978 25124 11876 1 18 . 1 1 7 7 TRP N N 7 127.409 127.409 129.232 -1.823 25124 11877 1 18 . 1 1 7 7 TRP HA H 7 6.447 6.447 5.572 0.875 25124 11878 1 18 . 1 1 7 7 TRP C C 7 175.089 175.089 175.449 -0.360 25124 11879 1 18 . 1 1 7 7 TRP CA C 7 52.797 52.797 53.968 -1.171 25124 11880 1 18 . 1 1 7 7 TRP CB C 7 33.255 33.255 30.211 3.044 25124 11881 1 18 . 1 1 7 7 TRP H H 7 8.544 8.544 8.411 0.133 25124 11882 1 18 . 1 1 8 8 VAL N N 8 122.270 122.270 125.171 -2.901 25124 11883 1 18 . 1 1 8 8 VAL HA H 8 5.135 5.135 4.463 0.672 25124 11884 1 18 . 1 1 8 8 VAL C C 8 173.820 173.820 174.224 -0.404 25124 11885 1 18 . 1 1 8 8 VAL CA C 8 60.457 60.457 60.591 -0.134 25124 11886 1 18 . 1 1 8 8 VAL CB C 8 35.893 35.893 33.453 2.440 25124 11887 1 18 . 1 1 8 8 VAL H H 8 8.643 8.643 8.394 0.249 25124 11888 1 18 . 1 1 9 9 VAL N N 9 126.806 126.806 128.484 -1.678 25124 11889 1 18 . 1 1 9 9 VAL HA H 9 5.192 5.192 4.260 0.932 25124 11890 1 18 . 1 1 9 9 VAL C C 9 172.550 172.550 174.600 -2.050 25124 11891 1 18 . 1 1 9 9 VAL CA C 9 58.384 58.384 60.617 -2.233 25124 11892 1 18 . 1 1 9 9 VAL CB C 9 34.135 34.135 31.973 2.162 25124 11893 1 18 . 1 1 9 9 VAL H H 9 9.113 9.113 8.752 0.361 25124 11894 1 18 . 1 1 10 10 ASP N N 10 125.011 125.011 124.846 0.165 25124 11895 1 18 . 1 1 10 10 ASP HA H 10 4.554 4.554 4.888 -0.334 25124 11896 1 18 . 1 1 10 10 ASP C C 10 174.877 174.877 173.955 0.922 25124 11897 1 18 . 1 1 10 10 ASP CA C 10 55.066 55.066 52.621 2.445 25124 11898 1 18 . 1 1 10 10 ASP CB C 10 44.131 44.131 44.011 0.119 25124 11899 1 18 . 1 1 10 10 ASP H H 10 7.881 7.881 7.957 -0.076 25124 11900 1 18 . 1 1 11 11 ASP N N 11 124.048 124.048 120.345 3.703 25124 11901 1 18 . 1 1 11 11 ASP HA H 11 4.613 4.613 4.813 -0.200 25124 11902 1 18 . 1 1 11 11 ASP C C 11 175.089 175.089 174.828 0.261 25124 11903 1 18 . 1 1 11 11 ASP CA C 11 55.346 55.346 53.858 1.488 25124 11904 1 18 . 1 1 11 11 ASP CB C 11 39.583 39.583 41.004 -1.421 25124 11905 1 18 . 1 1 11 11 ASP H H 11 9.166 9.166 8.610 0.556 25124 11906 1 18 . 1 1 12 12 ASP N N 12 125.165 125.165 123.911 1.254 25124 11907 1 18 . 1 1 12 12 ASP HA H 12 4.757 4.757 4.811 -0.054 25124 11908 1 18 . 1 1 12 12 ASP C C 12 176.993 176.993 176.297 0.696 25124 11909 1 18 . 1 1 12 12 ASP CA C 12 53.112 53.112 54.129 -1.017 25124 11910 1 18 . 1 1 12 12 ASP CB C 12 41.072 41.072 42.531 -1.458 25124 11911 1 18 . 1 1 12 12 ASP H H 12 10.290 10.290 7.733 2.557 25124 11912 1 18 . 1 1 13 13 SER N N 13 123.818 123.818 121.345 2.473 25124 11913 1 18 . 1 1 13 13 SER HA H 13 3.719 3.719 4.157 -0.438 25124 11914 1 18 . 1 1 13 13 SER C C 13 176.146 176.146 176.045 0.101 25124 11915 1 18 . 1 1 13 13 SER CA C 13 61.341 61.341 61.054 0.287 25124 11916 1 18 . 1 1 13 13 SER CB C 13 62.638 62.638 63.202 -0.564 25124 11917 1 18 . 1 1 13 13 SER H H 13 8.993 8.993 8.806 0.187 25124 11918 1 18 . 1 1 14 14 SER N N 14 118.714 118.714 118.040 0.674 25124 11919 1 18 . 1 1 14 14 SER HA H 14 4.322 4.322 4.372 -0.050 25124 11920 1 18 . 1 1 14 14 SER C C 14 176.411 176.411 176.329 0.082 25124 11921 1 18 . 1 1 14 14 SER CA C 14 61.717 61.717 61.556 0.161 25124 11922 1 18 . 1 1 14 14 SER CB C 14 62.554 62.554 63.200 -0.646 25124 11923 1 18 . 1 1 14 14 SER H H 14 8.499 8.499 7.869 0.630 25124 11924 1 18 . 1 1 15 15 ILE N N 15 122.822 122.822 120.435 2.387 25124 11925 1 18 . 1 1 15 15 ILE HA H 15 3.972 3.972 3.934 0.038 25124 11926 1 18 . 1 1 15 15 ILE C C 15 177.786 177.786 177.653 0.133 25124 11927 1 18 . 1 1 15 15 ILE CA C 15 60.784 60.784 62.129 -1.345 25124 11928 1 18 . 1 1 15 15 ILE CB C 15 36.016 36.016 37.038 -1.022 25124 11929 1 18 . 1 1 15 15 ILE H H 15 7.011 7.011 7.646 -0.635 25124 11930 1 18 . 1 1 16 16 ARG N N 16 116.580 116.580 120.412 -3.832 25124 11931 1 18 . 1 1 16 16 ARG HA H 16 3.711 3.711 4.154 -0.443 25124 11932 1 18 . 1 1 16 16 ARG C C 16 177.336 177.336 178.398 -1.062 25124 11933 1 18 . 1 1 16 16 ARG CA C 16 61.632 61.632 59.681 1.951 25124 11934 1 18 . 1 1 16 16 ARG CB C 16 30.520 30.520 30.193 0.327 25124 11935 1 18 . 1 1 16 16 ARG H H 16 7.370 7.370 8.417 -1.047 25124 11936 1 18 . 1 1 17 17 TRP N N 17 116.893 116.893 121.870 -4.977 25124 11937 1 18 . 1 1 17 17 TRP HA H 17 4.481 4.481 4.331 0.150 25124 11938 1 18 . 1 1 17 17 TRP C C 17 178.394 178.394 178.207 0.187 25124 11939 1 18 . 1 1 17 17 TRP CA C 17 60.482 60.482 61.472 -0.990 25124 11940 1 18 . 1 1 17 17 TRP CB C 17 29.372 29.372 29.174 0.198 25124 11941 1 18 . 1 1 17 17 TRP H H 17 8.020 8.020 8.497 -0.477 25124 11942 1 18 . 1 1 18 18 VAL N N 18 116.799 116.799 115.749 1.050 25124 11943 1 18 . 1 1 18 18 VAL HA H 18 3.662 3.662 2.555 1.107 25124 11944 1 18 . 1 1 18 18 VAL C C 18 179.161 179.161 177.634 1.527 25124 11945 1 18 . 1 1 18 18 VAL CA C 18 65.858 65.858 65.047 0.811 25124 11946 1 18 . 1 1 18 18 VAL CB C 18 31.792 31.792 30.937 0.855 25124 11947 1 18 . 1 1 18 18 VAL H H 18 8.085 8.085 7.381 0.704 25124 11948 1 18 . 1 1 19 19 LEU N N 19 119.595 119.595 120.610 -1.015 25124 11949 1 18 . 1 1 19 19 LEU HA H 19 4.083 4.083 3.770 0.313 25124 11950 1 18 . 1 1 19 19 LEU C C 19 177.759 177.759 178.804 -1.045 25124 11951 1 18 . 1 1 19 19 LEU CA C 19 57.971 57.971 57.712 0.259 25124 11952 1 18 . 1 1 19 19 LEU CB C 19 41.863 41.863 41.576 0.287 25124 11953 1 18 . 1 1 19 19 LEU H H 19 8.035 8.035 7.258 0.777 25124 11954 1 18 . 1 1 20 20 GLU N N 20 120.318 120.318 119.106 1.212 25124 11955 1 18 . 1 1 20 20 GLU HA H 20 4.007 4.007 3.826 0.181 25124 11956 1 18 . 1 1 20 20 GLU C C 20 178.500 178.500 179.184 -0.684 25124 11957 1 18 . 1 1 20 20 GLU CA C 20 60.567 60.567 59.416 1.151 25124 11958 1 18 . 1 1 20 20 GLU CB C 20 29.073 29.073 29.348 -0.275 25124 11959 1 18 . 1 1 20 20 GLU H H 20 8.417 8.417 7.927 0.490 25124 11960 1 18 . 1 1 21 21 ARG N N 21 115.981 115.981 118.004 -2.023 25124 11961 1 18 . 1 1 21 21 ARG HA H 21 3.898 3.898 3.901 -0.003 25124 11962 1 18 . 1 1 21 21 ARG C C 21 179.769 179.769 177.962 1.807 25124 11963 1 18 . 1 1 21 21 ARG CA C 21 58.491 58.491 58.749 -0.258 25124 11964 1 18 . 1 1 21 21 ARG CB C 21 29.966 29.966 29.846 0.120 25124 11965 1 18 . 1 1 21 21 ARG H H 21 7.579 7.579 7.817 -0.238 25124 11966 1 18 . 1 1 22 22 ALA N N 22 122.267 122.267 121.233 1.034 25124 11967 1 18 . 1 1 22 22 ALA HA H 22 4.110 4.110 4.187 -0.077 25124 11968 1 18 . 1 1 22 22 ALA C C 22 180.456 180.456 179.753 0.703 25124 11969 1 18 . 1 1 22 22 ALA CA C 22 54.643 54.643 54.320 0.323 25124 11970 1 18 . 1 1 22 22 ALA CB C 22 19.225 19.225 18.672 0.553 25124 11971 1 18 . 1 1 22 22 ALA H H 22 7.933 7.933 7.593 0.340 25124 11972 1 18 . 1 1 23 23 LEU N N 23 118.139 118.139 119.425 -1.286 25124 11973 1 18 . 1 1 23 23 LEU HA H 23 4.005 4.005 3.855 0.150 25124 11974 1 18 . 1 1 23 23 LEU C C 23 178.843 178.843 179.395 -0.552 25124 11975 1 18 . 1 1 23 23 LEU CA C 23 57.765 57.765 57.835 -0.070 25124 11976 1 18 . 1 1 23 23 LEU CB C 23 39.919 39.919 41.326 -1.407 25124 11977 1 18 . 1 1 23 23 LEU H H 23 8.855 8.855 8.277 0.578 25124 11978 1 18 . 1 1 24 24 ALA N N 24 122.164 122.164 119.556 2.608 25124 11979 1 18 . 1 1 24 24 ALA HA H 24 4.665 4.665 4.064 0.601 25124 11980 1 18 . 1 1 24 24 ALA C C 24 183.206 183.206 179.216 3.990 25124 11981 1 18 . 1 1 24 24 ALA CA C 24 54.812 54.812 54.245 0.567 25124 11982 1 18 . 1 1 24 24 ALA CB C 24 17.820 17.820 18.438 -0.618 25124 11983 1 18 . 1 1 24 24 ALA H H 24 8.238 8.238 8.017 0.221 25124 11984 1 18 . 1 1 25 25 GLY N N 25 106.903 106.903 104.727 2.176 25124 11985 1 18 . 1 1 25 25 GLY C C 25 174.375 174.375 174.592 -0.217 25124 11986 1 18 . 1 1 25 25 GLY CA C 25 46.550 46.550 45.394 1.156 25124 11987 1 18 . 1 1 25 25 GLY H H 25 7.907 7.907 7.432 0.475 25124 11988 1 18 . 1 1 26 26 ALA N N 26 121.832 121.832 122.063 -0.231 25124 11989 1 18 . 1 1 26 26 ALA HA H 26 4.505 4.505 4.572 -0.067 25124 11990 1 18 . 1 1 26 26 ALA CA C 26 51.585 51.585 50.919 0.666 25124 11991 1 18 . 1 1 26 26 ALA CB C 26 18.799 18.799 19.987 -1.188 25124 11992 1 18 . 1 1 26 26 ALA H H 26 7.316 7.316 7.617 -0.301 25124 11993 1 18 . 1 1 27 27 GLY N N 27 106.146 106.146 107.057 -0.911 25124 11994 1 18 . 1 1 27 27 GLY C C 27 174.057 174.057 174.827 -0.770 25124 11995 1 18 . 1 1 27 27 GLY CA C 27 45.333 45.333 45.568 -0.235 25124 11996 1 18 . 1 1 27 27 GLY H H 27 7.868 7.868 7.648 0.220 25124 11997 1 18 . 1 1 28 28 LEU N N 28 120.273 120.273 120.261 0.012 25124 11998 1 18 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.358 0.217 25124 11999 1 18 . 1 1 28 28 LEU C C 28 175.988 175.988 177.311 -1.323 25124 12000 1 18 . 1 1 28 28 LEU CA C 28 53.881 53.881 54.399 -0.518 25124 12001 1 18 . 1 1 28 28 LEU CB C 28 42.540 42.540 42.407 0.133 25124 12002 1 18 . 1 1 28 28 LEU H H 28 7.659 7.659 7.572 0.087 25124 12003 1 18 . 1 1 29 29 THR N N 29 118.173 118.173 118.629 -0.456 25124 12004 1 18 . 1 1 29 29 THR HA H 29 4.346 4.346 4.167 0.179 25124 12005 1 18 . 1 1 29 29 THR C C 29 173.344 173.344 173.696 -0.352 25124 12006 1 18 . 1 1 29 29 THR CA C 29 62.598 62.598 63.815 -1.216 25124 12007 1 18 . 1 1 29 29 THR CB C 29 69.423 69.423 68.945 0.478 25124 12008 1 18 . 1 1 29 29 THR H H 29 8.562 8.562 8.183 0.379 25124 12009 1 18 . 1 1 30 30 CYS N N 30 128.450 128.450 128.878 -0.428 25124 12010 1 18 . 1 1 30 30 CYS HA H 30 6.012 6.012 4.788 1.224 25124 12011 1 18 . 1 1 30 30 CYS C C 30 173.978 173.978 173.708 0.270 25124 12012 1 18 . 1 1 30 30 CYS CA C 30 56.424 56.424 57.455 -1.031 25124 12013 1 18 . 1 1 30 30 CYS CB C 30 29.615 29.615 27.802 1.813 25124 12014 1 18 . 1 1 30 30 CYS H H 30 9.035 9.035 8.802 0.233 25124 12015 1 18 . 1 1 31 31 THR N N 31 126.377 126.377 125.889 0.488 25124 12016 1 18 . 1 1 31 31 THR HA H 31 4.442 4.442 4.497 -0.055 25124 12017 1 18 . 1 1 31 31 THR C C 31 172.683 172.683 172.619 0.064 25124 12018 1 18 . 1 1 31 31 THR CA C 31 61.956 61.956 61.576 0.380 25124 12019 1 18 . 1 1 31 31 THR CB C 31 70.624 70.624 71.030 -0.406 25124 12020 1 18 . 1 1 31 31 THR H H 31 8.510 8.510 8.503 0.007 25124 12021 1 18 . 1 1 32 32 THR N N 32 115.988 115.988 114.511 1.477 25124 12022 1 18 . 1 1 32 32 THR HA H 32 5.454 5.454 4.937 0.517 25124 12023 1 18 . 1 1 32 32 THR C C 32 172.259 172.259 172.080 0.179 25124 12024 1 18 . 1 1 32 32 THR CA C 32 59.101 59.101 59.205 -0.104 25124 12025 1 18 . 1 1 32 32 THR CB C 32 71.173 71.173 71.609 -0.436 25124 12026 1 18 . 1 1 32 32 THR H H 32 8.301 8.301 7.806 0.495 25124 12027 1 18 . 1 1 33 33 PHE N N 33 117.690 117.690 118.560 -0.870 25124 12028 1 18 . 1 1 33 33 PHE HA H 33 4.723 4.723 4.832 -0.109 25124 12029 1 18 . 1 1 33 33 PHE C C 33 174.507 174.507 174.967 -0.460 25124 12030 1 18 . 1 1 33 33 PHE CA C 33 56.504 56.504 56.639 -0.135 25124 12031 1 18 . 1 1 33 33 PHE CB C 33 43.589 43.589 40.927 2.662 25124 12032 1 18 . 1 1 33 33 PHE H H 33 8.834 8.834 7.983 0.851 25124 12033 1 18 . 1 1 34 34 GLU N N 34 118.296 118.296 118.866 -0.570 25124 12034 1 18 . 1 1 34 34 GLU HA H 34 4.451 4.451 4.236 0.215 25124 12035 1 18 . 1 1 34 34 GLU C C 34 174.957 174.957 175.531 -0.574 25124 12036 1 18 . 1 1 34 34 GLU CA C 34 56.661 56.661 58.302 -1.641 25124 12037 1 18 . 1 1 34 34 GLU CB C 34 31.792 31.792 30.791 1.001 25124 12038 1 18 . 1 1 34 34 GLU H H 34 9.096 9.096 8.608 0.488 25124 12039 1 18 . 1 1 35 35 ASN N N 35 108.486 108.486 111.756 -3.270 25124 12040 1 18 . 1 1 35 35 ASN HA H 35 4.960 4.960 4.942 0.017 25124 12041 1 18 . 1 1 35 35 ASN C C 35 175.353 175.353 176.555 -1.202 25124 12042 1 18 . 1 1 35 35 ASN CA C 35 52.364 52.364 51.599 0.765 25124 12043 1 18 . 1 1 35 35 ASN CB C 35 40.932 40.932 41.473 -0.541 25124 12044 1 18 . 1 1 35 35 ASN H H 35 7.286 7.286 7.648 -0.362 25124 12045 1 18 . 1 1 36 36 GLY N N 36 105.329 105.329 107.963 -2.634 25124 12046 1 18 . 1 1 36 36 GLY C C 36 174.586 174.586 175.500 -0.914 25124 12047 1 18 . 1 1 36 36 GLY CA C 36 47.533 47.533 47.425 0.108 25124 12048 1 18 . 1 1 36 36 GLY H H 36 9.369 9.369 8.888 0.481 25124 12049 1 18 . 1 1 37 37 ASN N N 37 120.396 120.396 117.969 2.427 25124 12050 1 18 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.303 0.059 25124 12051 1 18 . 1 1 37 37 ASN C C 37 178.791 178.791 177.330 1.461 25124 12052 1 18 . 1 1 37 37 ASN CA C 37 56.843 56.843 56.362 0.481 25124 12053 1 18 . 1 1 37 37 ASN CB C 37 37.716 37.716 38.194 -0.478 25124 12054 1 18 . 1 1 37 37 ASN H H 37 8.440 8.440 8.334 0.106 25124 12055 1 18 . 1 1 38 38 GLU N N 38 119.334 119.334 119.317 0.017 25124 12056 1 18 . 1 1 38 38 GLU HA H 38 4.058 4.058 3.949 0.109 25124 12057 1 18 . 1 1 38 38 GLU C C 38 179.372 179.372 178.881 0.491 25124 12058 1 18 . 1 1 38 38 GLU CA C 38 58.790 58.790 59.188 -0.398 25124 12059 1 18 . 1 1 38 38 GLU CB C 38 30.692 30.692 29.744 0.948 25124 12060 1 18 . 1 1 38 38 GLU H H 38 8.063 8.063 7.788 0.275 25124 12061 1 18 . 1 1 39 39 VAL N N 39 119.047 119.047 120.088 -1.041 25124 12062 1 18 . 1 1 39 39 VAL HA H 39 2.599 2.599 2.470 0.129 25124 12063 1 18 . 1 1 39 39 VAL C C 39 176.807 176.807 177.745 -0.938 25124 12064 1 18 . 1 1 39 39 VAL CA C 39 65.222 65.222 65.622 -0.400 25124 12065 1 18 . 1 1 39 39 VAL CB C 39 31.078 31.078 31.320 -0.242 25124 12066 1 18 . 1 1 39 39 VAL H H 39 6.844 6.844 7.205 -0.361 25124 12067 1 18 . 1 1 40 40 LEU N N 40 118.385 118.385 119.748 -1.363 25124 12068 1 18 . 1 1 40 40 LEU HA H 40 3.929 3.929 3.913 0.016 25124 12069 1 18 . 1 1 40 40 LEU C C 40 179.584 179.584 178.958 0.626 25124 12070 1 18 . 1 1 40 40 LEU CA C 40 57.943 57.943 58.028 -0.085 25124 12071 1 18 . 1 1 40 40 LEU CB C 40 40.932 40.932 40.668 0.264 25124 12072 1 18 . 1 1 40 40 LEU H H 40 7.715 7.715 7.624 0.091 25124 12073 1 18 . 1 1 41 41 ALA N N 41 120.091 120.091 120.329 -0.238 25124 12074 1 18 . 1 1 41 41 ALA HA H 41 4.158 4.158 3.885 0.273 25124 12075 1 18 . 1 1 41 41 ALA C C 41 180.562 180.562 179.281 1.281 25124 12076 1 18 . 1 1 41 41 ALA CA C 41 54.717 54.717 54.976 -0.259 25124 12077 1 18 . 1 1 41 41 ALA CB C 41 17.853 17.853 17.855 -0.002 25124 12078 1 18 . 1 1 41 41 ALA H H 41 7.671 7.671 7.782 -0.111 25124 12079 1 18 . 1 1 42 42 ALA N N 42 122.650 122.650 120.526 2.124 25124 12080 1 18 . 1 1 42 42 ALA HA H 42 4.221 4.221 4.263 -0.042 25124 12081 1 18 . 1 1 42 42 ALA C C 42 180.166 180.166 179.636 0.530 25124 12082 1 18 . 1 1 42 42 ALA CA C 42 54.974 54.974 54.015 0.959 25124 12083 1 18 . 1 1 42 42 ALA CB C 42 19.488 19.488 18.175 1.313 25124 12084 1 18 . 1 1 42 42 ALA H H 42 7.573 7.573 7.217 0.356 25124 12085 1 18 . 1 1 43 43 LEU N N 43 119.321 119.321 121.729 -2.408 25124 12086 1 18 . 1 1 43 43 LEU HA H 43 5.260 5.260 4.526 0.734 25124 12087 1 18 . 1 1 43 43 LEU C C 43 177.389 177.389 179.820 -2.431 25124 12088 1 18 . 1 1 43 43 LEU CA C 43 55.446 55.446 58.121 -2.675 25124 12089 1 18 . 1 1 43 43 LEU CB C 43 42.879 42.879 41.808 1.071 25124 12090 1 18 . 1 1 43 43 LEU H H 43 8.289 8.289 8.429 -0.140 25124 12091 1 18 . 1 1 44 44 ALA N N 44 118.995 118.995 120.011 -1.016 25124 12092 1 18 . 1 1 44 44 ALA HA H 44 4.232 4.232 4.066 0.166 25124 12093 1 18 . 1 1 44 44 ALA C C 44 178.738 178.738 179.273 -0.535 25124 12094 1 18 . 1 1 44 44 ALA CA C 44 54.353 54.353 54.741 -0.388 25124 12095 1 18 . 1 1 44 44 ALA CB C 44 18.674 18.674 18.544 0.130 25124 12096 1 18 . 1 1 44 44 ALA H H 44 7.307 7.307 7.989 -0.682 25124 12097 1 18 . 1 1 45 45 SER N N 45 108.530 108.530 113.389 -4.859 25124 12098 1 18 . 1 1 45 45 SER HA H 45 4.761 4.761 4.333 0.428 25124 12099 1 18 . 1 1 45 45 SER C C 45 173.344 173.344 175.296 -1.952 25124 12100 1 18 . 1 1 45 45 SER CA C 45 58.682 58.682 60.291 -1.609 25124 12101 1 18 . 1 1 45 45 SER CB C 45 65.446 65.446 63.917 1.529 25124 12102 1 18 . 1 1 45 45 SER H H 45 7.772 7.772 8.002 -0.230 25124 12103 1 18 . 1 1 46 46 LYS N N 46 122.965 122.965 117.496 5.469 25124 12104 1 18 . 1 1 46 46 LYS HA H 46 4.608 4.608 4.561 0.047 25124 12105 1 18 . 1 1 46 46 LYS C C 46 172.815 172.815 174.201 -1.386 25124 12106 1 18 . 1 1 46 46 LYS CA C 46 55.601 55.601 55.347 0.254 25124 12107 1 18 . 1 1 46 46 LYS CB C 46 36.399 36.399 35.529 0.870 25124 12108 1 18 . 1 1 46 46 LYS H H 46 8.096 8.096 8.599 -0.503 25124 12109 1 18 . 1 1 47 47 THR N N 47 111.524 111.524 114.366 -2.842 25124 12110 1 18 . 1 1 47 47 THR HA H 47 4.307 4.307 4.456 -0.149 25124 12111 1 18 . 1 1 47 47 THR CA C 47 57.896 57.896 58.552 -0.656 25124 12112 1 18 . 1 1 47 47 THR CB C 47 70.570 70.570 68.989 1.581 25124 12113 1 18 . 1 1 47 47 THR H H 47 7.708 7.708 8.115 -0.407 25124 12114 1 18 . 1 1 48 48 PRO HA H 48 3.944 3.944 3.784 0.160 25124 12115 1 18 . 1 1 48 48 PRO C C 48 173.079 173.079 175.789 -2.710 25124 12116 1 18 . 1 1 48 48 PRO CA C 48 60.922 60.922 62.082 -1.160 25124 12117 1 18 . 1 1 48 48 PRO CB C 48 30.353 30.353 32.177 -1.824 25124 12118 1 18 . 1 1 49 49 ASP N N 49 115.001 115.001 119.390 -4.389 25124 12119 1 18 . 1 1 49 49 ASP HA H 49 4.460 4.460 4.641 -0.181 25124 12120 1 18 . 1 1 49 49 ASP C C 49 175.591 175.591 176.164 -0.573 25124 12121 1 18 . 1 1 49 49 ASP CA C 49 56.504 56.504 55.728 0.776 25124 12122 1 18 . 1 1 49 49 ASP CB C 49 42.625 42.625 42.810 -0.185 25124 12123 1 18 . 1 1 49 49 ASP H H 49 8.535 8.535 8.343 0.192 25124 12124 1 18 . 1 1 50 50 VAL N N 50 111.832 111.832 117.912 -6.080 25124 12125 1 18 . 1 1 50 50 VAL HA H 50 4.316 4.316 4.175 0.141 25124 12126 1 18 . 1 1 50 50 VAL C C 50 171.572 171.572 174.582 -3.010 25124 12127 1 18 . 1 1 50 50 VAL CA C 50 60.398 60.398 61.303 -0.905 25124 12128 1 18 . 1 1 50 50 VAL CB C 50 34.650 34.650 32.067 2.583 25124 12129 1 18 . 1 1 50 50 VAL H H 50 7.194 7.194 7.314 -0.120 25124 12130 1 18 . 1 1 51 51 LEU N N 51 127.785 127.785 126.791 0.994 25124 12131 1 18 . 1 1 51 51 LEU HA H 51 5.376 5.376 5.036 0.340 25124 12132 1 18 . 1 1 51 51 LEU C C 51 173.264 173.264 175.231 -1.967 25124 12133 1 18 . 1 1 51 51 LEU CA C 51 53.137 53.137 54.243 -1.107 25124 12134 1 18 . 1 1 51 51 LEU CB C 51 46.680 46.680 44.389 2.291 25124 12135 1 18 . 1 1 51 51 LEU H H 51 8.049 8.049 8.452 -0.403 25124 12136 1 18 . 1 1 52 52 LEU N N 52 128.943 128.943 125.465 3.478 25124 12137 1 18 . 1 1 52 52 LEU HA H 52 5.312 5.312 5.118 0.194 25124 12138 1 18 . 1 1 52 52 LEU C C 52 174.692 174.692 176.843 -2.151 25124 12139 1 18 . 1 1 52 52 LEU CA C 52 54.313 54.313 53.221 1.092 25124 12140 1 18 . 1 1 52 52 LEU CB C 52 43.961 43.961 40.925 3.036 25124 12141 1 18 . 1 1 52 52 LEU H H 52 9.278 9.278 7.922 1.356 25124 12142 1 18 . 1 1 53 53 SER N N 53 116.717 116.717 118.574 -1.857 25124 12143 1 18 . 1 1 53 53 SER HA H 53 5.395 5.395 4.254 1.141 25124 12144 1 18 . 1 1 53 53 SER C C 53 173.608 173.608 173.389 0.219 25124 12145 1 18 . 1 1 53 53 SER CA C 53 56.226 56.226 59.153 -2.927 25124 12146 1 18 . 1 1 53 53 SER CB C 53 65.753 65.753 64.278 1.475 25124 12147 1 18 . 1 1 53 53 SER H H 53 9.256 9.256 7.816 1.440 25124 12148 1 18 . 1 1 54 54 ASP N N 54 127.909 127.909 125.470 2.439 25124 12149 1 18 . 1 1 54 54 ASP HA H 54 5.622 5.622 5.448 0.174 25124 12150 1 18 . 1 1 54 54 ASP C C 54 175.723 175.723 175.872 -0.149 25124 12151 1 18 . 1 1 54 54 ASP CA C 54 53.268 53.268 53.186 0.082 25124 12152 1 18 . 1 1 54 54 ASP CB C 54 44.386 44.386 43.849 0.537 25124 12153 1 18 . 1 1 54 54 ASP H H 54 8.219 8.219 8.677 -0.458 25124 12154 1 18 . 1 1 55 55 ILE N N 55 117.015 117.015 119.594 -2.579 25124 12155 1 18 . 1 1 55 55 ILE HA H 55 4.116 4.116 4.466 -0.350 25124 12156 1 18 . 1 1 55 55 ILE C C 55 176.913 176.913 174.319 2.594 25124 12157 1 18 . 1 1 55 55 ILE CA C 55 65.290 65.290 59.221 6.069 25124 12158 1 18 . 1 1 55 55 ILE CB C 55 38.487 38.487 36.588 1.899 25124 12159 1 18 . 1 1 55 55 ILE H H 55 7.812 7.812 8.017 -0.205 25124 12160 1 18 . 1 1 56 56 ARG N N 56 117.365 117.365 119.973 -2.608 25124 12161 1 18 . 1 1 56 56 ARG HA H 56 4.379 4.379 4.474 -0.095 25124 12162 1 18 . 1 1 56 56 ARG C C 56 172.788 172.788 174.025 -1.237 25124 12163 1 18 . 1 1 56 56 ARG CA C 56 57.034 57.034 56.195 0.839 25124 12164 1 18 . 1 1 56 56 ARG CB C 56 27.600 27.600 29.527 -1.927 25124 12165 1 18 . 1 1 56 56 ARG H H 56 8.991 8.991 8.003 0.988 25124 12166 1 18 . 1 1 57 57 MET N N 57 129.539 129.539 117.454 12.085 25124 12167 1 18 . 1 1 57 57 MET HA H 57 4.767 4.767 5.050 -0.283 25124 12168 1 18 . 1 1 57 57 MET CA C 57 53.641 53.641 52.412 1.229 25124 12169 1 18 . 1 1 57 57 MET CB C 57 36.484 36.484 34.508 1.976 25124 12170 1 18 . 1 1 57 57 MET H H 57 7.501 7.501 7.709 -0.208 25124 12171 1 18 . 1 1 58 58 PRO HA H 58 4.379 4.379 4.522 -0.143 25124 12172 1 18 . 1 1 58 58 PRO C C 58 177.495 177.495 175.610 1.885 25124 12173 1 18 . 1 1 58 58 PRO CA C 58 63.104 63.104 63.494 -0.390 25124 12174 1 18 . 1 1 58 58 PRO CB C 58 31.922 31.922 30.008 1.914 25124 12175 1 18 . 1 1 59 59 GLY N N 59 112.312 112.312 110.402 1.910 25124 12176 1 18 . 1 1 59 59 GLY C C 59 173.793 173.793 173.132 0.661 25124 12177 1 18 . 1 1 59 59 GLY CA C 59 46.430 46.430 45.858 0.572 25124 12178 1 18 . 1 1 59 59 GLY H H 59 8.656 8.656 8.642 0.014 25124 12179 1 18 . 1 1 60 60 MET N N 60 124.343 124.343 119.579 4.764 25124 12180 1 18 . 1 1 60 60 MET HA H 60 4.344 4.344 4.753 -0.409 25124 12181 1 18 . 1 1 60 60 MET C C 60 174.190 174.190 174.383 -0.193 25124 12182 1 18 . 1 1 60 60 MET CA C 60 55.871 55.871 55.714 0.157 25124 12183 1 18 . 1 1 60 60 MET CB C 60 34.955 34.955 34.036 0.919 25124 12184 1 18 . 1 1 60 60 MET H H 60 7.778 7.778 8.449 -0.671 25124 12185 1 18 . 1 1 61 61 ASP N N 61 124.993 124.993 114.932 10.061 25124 12186 1 18 . 1 1 61 61 ASP HA H 61 4.870 4.870 4.722 0.148 25124 12187 1 18 . 1 1 61 61 ASP C C 61 176.966 176.966 175.067 1.899 25124 12188 1 18 . 1 1 61 61 ASP CA C 61 53.490 53.490 53.746 -0.256 25124 12189 1 18 . 1 1 61 61 ASP CB C 61 42.347 42.347 41.249 1.098 25124 12190 1 18 . 1 1 61 61 ASP H H 61 8.378 8.378 7.855 0.523 25124 12191 1 18 . 1 1 62 62 GLY N N 62 105.163 105.163 104.864 0.299 25124 12192 1 18 . 1 1 62 62 GLY C C 62 175.935 175.935 175.808 0.127 25124 12193 1 18 . 1 1 62 62 GLY CA C 62 46.755 46.755 45.341 1.414 25124 12194 1 18 . 1 1 62 62 GLY H H 62 10.153 10.153 8.626 1.527 25124 12195 1 18 . 1 1 63 63 LEU N N 63 120.509 120.509 123.322 -2.813 25124 12196 1 18 . 1 1 63 63 LEU HA H 63 4.293 4.293 4.262 0.031 25124 12197 1 18 . 1 1 63 63 LEU C C 63 179.293 179.293 178.046 1.247 25124 12198 1 18 . 1 1 63 63 LEU CA C 63 57.148 57.148 57.116 0.032 25124 12199 1 18 . 1 1 63 63 LEU CB C 63 40.053 40.053 41.892 -1.839 25124 12200 1 18 . 1 1 63 63 LEU H H 63 8.119 8.119 7.512 0.607 25124 12201 1 18 . 1 1 64 64 ALA N N 64 126.234 126.234 122.094 4.140 25124 12202 1 18 . 1 1 64 64 ALA HA H 64 4.112 4.112 4.036 0.076 25124 12203 1 18 . 1 1 64 64 ALA C C 64 181.223 181.223 179.072 2.151 25124 12204 1 18 . 1 1 64 64 ALA CA C 64 54.802 54.802 54.911 -0.109 25124 12205 1 18 . 1 1 64 64 ALA CB C 64 18.133 18.133 18.211 -0.078 25124 12206 1 18 . 1 1 64 64 ALA H H 64 8.303 8.303 8.544 -0.241 25124 12207 1 18 . 1 1 65 65 LEU N N 65 120.067 120.067 117.922 2.145 25124 12208 1 18 . 1 1 65 65 LEU HA H 65 4.044 4.044 4.271 -0.227 25124 12209 1 18 . 1 1 65 65 LEU C C 65 177.548 177.548 178.027 -0.479 25124 12210 1 18 . 1 1 65 65 LEU CA C 65 58.197 58.197 57.425 0.772 25124 12211 1 18 . 1 1 65 65 LEU CB C 65 41.727 41.727 42.646 -0.919 25124 12212 1 18 . 1 1 65 65 LEU H H 65 8.398 8.398 7.870 0.528 25124 12213 1 18 . 1 1 66 66 LEU N N 66 120.890 120.890 120.075 0.815 25124 12214 1 18 . 1 1 66 66 LEU HA H 66 3.848 3.848 4.046 -0.198 25124 12215 1 18 . 1 1 66 66 LEU C C 66 177.230 177.230 178.455 -1.225 25124 12216 1 18 . 1 1 66 66 LEU CA C 66 58.736 58.736 57.459 1.277 25124 12217 1 18 . 1 1 66 66 LEU CB C 66 41.803 41.803 41.812 -0.009 25124 12218 1 18 . 1 1 66 66 LEU H H 66 8.203 8.203 7.463 0.740 25124 12219 1 18 . 1 1 67 67 LYS N N 67 116.919 116.919 118.083 -1.164 25124 12220 1 18 . 1 1 67 67 LYS HA H 67 4.004 4.004 4.048 -0.044 25124 12221 1 18 . 1 1 67 67 LYS C C 67 179.452 179.452 178.517 0.935 25124 12222 1 18 . 1 1 67 67 LYS CA C 67 59.733 59.733 58.741 0.992 25124 12223 1 18 . 1 1 67 67 LYS CB C 67 32.415 32.415 32.296 0.119 25124 12224 1 18 . 1 1 67 67 LYS H H 67 7.667 7.667 8.421 -0.754 25124 12225 1 18 . 1 1 68 68 GLN N N 68 116.851 116.851 118.890 -2.039 25124 12226 1 18 . 1 1 68 68 GLN HA H 68 4.046 4.046 4.103 -0.057 25124 12227 1 18 . 1 1 68 68 GLN C C 68 179.319 179.319 178.207 1.112 25124 12228 1 18 . 1 1 68 68 GLN CA C 68 58.820 58.820 58.747 0.073 25124 12229 1 18 . 1 1 68 68 GLN CB C 68 28.660 28.660 29.470 -0.810 25124 12230 1 18 . 1 1 68 68 GLN H H 68 7.677 7.677 7.337 0.340 25124 12231 1 18 . 1 1 69 69 ILE N N 69 120.670 120.670 115.431 5.239 25124 12232 1 18 . 1 1 69 69 ILE HA H 69 3.564 3.564 3.796 -0.232 25124 12233 1 18 . 1 1 69 69 ILE C C 69 177.786 177.786 177.699 0.087 25124 12234 1 18 . 1 1 69 69 ILE CA C 69 65.381 65.381 64.304 1.077 25124 12235 1 18 . 1 1 69 69 ILE CB C 69 37.186 37.186 37.650 -0.464 25124 12236 1 18 . 1 1 69 69 ILE H H 69 8.918 8.918 7.840 1.078 25124 12237 1 18 . 1 1 70 70 LYS N N 70 118.002 118.002 117.210 0.792 25124 12238 1 18 . 1 1 70 70 LYS HA H 70 3.936 3.936 4.193 -0.257 25124 12239 1 18 . 1 1 70 70 LYS C C 70 177.944 177.944 177.933 0.011 25124 12240 1 18 . 1 1 70 70 LYS CA C 70 57.351 57.351 58.017 -0.666 25124 12241 1 18 . 1 1 70 70 LYS CB C 70 31.440 31.440 32.106 -0.666 25124 12242 1 18 . 1 1 70 70 LYS H H 70 8.592 8.592 7.537 1.055 25124 12243 1 18 . 1 1 71 71 GLN N N 71 114.891 114.891 117.316 -2.425 25124 12244 1 18 . 1 1 71 71 GLN HA H 71 4.063 4.063 4.183 -0.120 25124 12245 1 18 . 1 1 71 71 GLN C C 71 177.019 177.019 177.152 -0.133 25124 12246 1 18 . 1 1 71 71 GLN CA C 71 58.007 58.007 57.402 0.605 25124 12247 1 18 . 1 1 71 71 GLN CB C 71 29.168 29.168 29.318 -0.150 25124 12248 1 18 . 1 1 71 71 GLN H H 71 7.266 7.266 7.535 -0.269 25124 12249 1 18 . 1 1 72 72 ARG N N 72 116.364 116.364 118.184 -1.820 25124 12250 1 18 . 1 1 72 72 ARG HA H 72 4.130 4.130 4.209 -0.079 25124 12251 1 18 . 1 1 72 72 ARG C C 72 175.803 175.803 176.139 -0.336 25124 12252 1 18 . 1 1 72 72 ARG CA C 72 57.174 57.174 57.323 -0.149 25124 12253 1 18 . 1 1 72 72 ARG CB C 72 32.638 32.638 31.983 0.655 25124 12254 1 18 . 1 1 72 72 ARG H H 72 7.254 7.254 8.208 -0.954 25124 12255 1 18 . 1 1 73 73 HIS N N 73 116.981 116.981 113.999 2.982 25124 12256 1 18 . 1 1 73 73 HIS HA H 73 4.994 4.994 4.986 0.008 25124 12257 1 18 . 1 1 73 73 HIS CA C 73 53.252 53.252 53.221 0.031 25124 12258 1 18 . 1 1 73 73 HIS CB C 73 31.026 31.026 29.996 1.030 25124 12259 1 18 . 1 1 73 73 HIS H H 73 8.828 8.828 7.370 1.458 25124 12260 1 18 . 1 1 74 74 PRO HA H 74 4.435 4.435 4.431 0.004 25124 12261 1 18 . 1 1 74 74 PRO C C 74 178.156 178.156 176.938 1.218 25124 12262 1 18 . 1 1 74 74 PRO CA C 74 65.284 65.284 64.192 1.092 25124 12263 1 18 . 1 1 74 74 PRO CB C 74 32.130 32.130 31.775 0.355 25124 12264 1 18 . 1 1 75 75 MET N N 75 114.676 114.676 116.660 -1.984 25124 12265 1 18 . 1 1 75 75 MET HA H 75 4.587 4.587 4.323 0.264 25124 12266 1 18 . 1 1 75 75 MET C C 75 176.067 176.067 175.917 0.150 25124 12267 1 18 . 1 1 75 75 MET CA C 75 54.304 54.304 55.909 -1.605 25124 12268 1 18 . 1 1 75 75 MET CB C 75 31.623 31.623 32.839 -1.216 25124 12269 1 18 . 1 1 75 75 MET H H 75 8.648 8.648 7.914 0.734 25124 12270 1 18 . 1 1 76 76 LEU N N 76 125.720 125.720 116.942 8.778 25124 12271 1 18 . 1 1 76 76 LEU HA H 76 4.293 4.293 4.675 -0.382 25124 12272 1 18 . 1 1 76 76 LEU CA C 76 53.472 53.472 51.808 1.664 25124 12273 1 18 . 1 1 76 76 LEU CB C 76 43.540 43.540 42.305 1.235 25124 12274 1 18 . 1 1 76 76 LEU H H 76 7.342 7.342 7.394 -0.052 25124 12275 1 18 . 1 1 77 77 PRO HA H 77 4.440 4.440 4.535 -0.095 25124 12276 1 18 . 1 1 77 77 PRO C C 77 175.062 175.062 176.111 -1.049 25124 12277 1 18 . 1 1 77 77 PRO CA C 77 62.841 62.841 62.402 0.439 25124 12278 1 18 . 1 1 77 77 PRO CB C 77 31.903 31.903 32.748 -0.845 25124 12279 1 18 . 1 1 78 78 VAL N N 78 123.116 123.116 117.412 5.704 25124 12280 1 18 . 1 1 78 78 VAL HA H 78 5.093 5.093 4.316 0.777 25124 12281 1 18 . 1 1 78 78 VAL C C 78 175.776 175.776 174.448 1.328 25124 12282 1 18 . 1 1 78 78 VAL CA C 78 60.083 60.083 61.641 -1.558 25124 12283 1 18 . 1 1 78 78 VAL CB C 78 34.245 34.245 35.942 -1.697 25124 12284 1 18 . 1 1 78 78 VAL H H 78 8.369 8.369 8.263 0.106 25124 12285 1 18 . 1 1 79 79 ILE N N 79 129.166 129.166 122.615 6.551 25124 12286 1 18 . 1 1 79 79 ILE HA H 79 4.499 4.499 4.585 -0.086 25124 12287 1 18 . 1 1 79 79 ILE C C 79 174.295 174.295 174.942 -0.647 25124 12288 1 18 . 1 1 79 79 ILE CA C 79 60.030 60.030 59.922 0.108 25124 12289 1 18 . 1 1 79 79 ILE CB C 79 40.222 40.222 41.589 -1.367 25124 12290 1 18 . 1 1 79 79 ILE H H 79 9.436 9.436 7.927 1.509 25124 12291 1 18 . 1 1 80 80 ILE N N 80 128.234 128.234 125.520 2.714 25124 12292 1 18 . 1 1 80 80 ILE HA H 80 5.253 5.253 4.351 0.902 25124 12293 1 18 . 1 1 80 80 ILE C C 80 173.449 173.449 174.353 -0.904 25124 12294 1 18 . 1 1 80 80 ILE CA C 80 56.265 56.265 60.059 -3.794 25124 12295 1 18 . 1 1 80 80 ILE CB C 80 38.176 38.176 37.846 0.330 25124 12296 1 18 . 1 1 80 80 ILE H H 80 7.920 7.920 8.165 -0.245 25124 12297 1 18 . 1 1 81 81 MET N N 81 124.079 124.079 128.036 -3.957 25124 12298 1 18 . 1 1 81 81 MET HA H 81 5.489 5.489 4.722 0.767 25124 12299 1 18 . 1 1 81 81 MET C C 81 173.820 173.820 173.736 0.084 25124 12300 1 18 . 1 1 81 81 MET CA C 81 52.889 52.889 54.961 -2.072 25124 12301 1 18 . 1 1 81 81 MET CB C 81 36.663 36.663 35.172 1.491 25124 12302 1 18 . 1 1 81 81 MET H H 81 9.028 9.028 8.367 0.661 25124 12303 1 18 . 1 1 82 82 THR N N 82 108.434 108.434 118.475 -10.041 25124 12304 1 18 . 1 1 82 82 THR HA H 82 5.134 5.134 4.527 0.607 25124 12305 1 18 . 1 1 82 82 THR C C 82 172.550 172.550 171.906 0.644 25124 12306 1 18 . 1 1 82 82 THR CA C 82 60.642 60.642 61.161 -0.519 25124 12307 1 18 . 1 1 82 82 THR CB C 82 68.843 68.843 70.745 -1.902 25124 12308 1 18 . 1 1 82 82 THR H H 82 7.098 7.098 8.168 -1.070 25124 12309 1 18 . 1 1 83 83 ALA N N 83 128.991 128.991 123.597 5.394 25124 12310 1 18 . 1 1 83 83 ALA HA H 83 4.678 4.678 4.661 0.017 25124 12311 1 18 . 1 1 83 83 ALA C C 83 177.812 177.812 178.176 -0.364 25124 12312 1 18 . 1 1 83 83 ALA CA C 83 52.457 52.457 50.051 2.406 25124 12313 1 18 . 1 1 83 83 ALA CB C 83 19.396 19.396 20.543 -1.147 25124 12314 1 18 . 1 1 83 83 ALA H H 83 8.590 8.590 8.345 0.245 25124 12315 1 18 . 1 1 84 84 HIS N N 84 121.904 121.904 115.863 6.041 25124 12316 1 18 . 1 1 84 84 HIS HA H 84 4.576 4.576 4.253 0.323 25124 12317 1 18 . 1 1 84 84 HIS C C 84 175.512 175.512 175.653 -0.141 25124 12318 1 18 . 1 1 84 84 HIS CA C 84 56.674 56.674 57.856 -1.182 25124 12319 1 18 . 1 1 84 84 HIS CB C 84 29.589 29.589 29.374 0.215 25124 12320 1 18 . 1 1 84 84 HIS H H 84 8.865 8.865 8.151 0.714 25124 12321 1 18 . 1 1 85 85 SER N N 85 114.679 114.679 116.527 -1.848 25124 12322 1 18 . 1 1 85 85 SER HA H 85 4.303 4.303 4.533 -0.230 25124 12323 1 18 . 1 1 85 85 SER C C 85 174.560 174.560 174.453 0.107 25124 12324 1 18 . 1 1 85 85 SER CA C 85 58.970 58.970 59.689 -0.719 25124 12325 1 18 . 1 1 85 85 SER CB C 85 62.829 62.829 63.422 -0.593 25124 12326 1 18 . 1 1 85 85 SER H H 85 8.016 8.016 7.787 0.229 25124 12327 1 18 . 1 1 86 86 ASP N N 86 122.325 122.325 121.522 0.803 25124 12328 1 18 . 1 1 86 86 ASP HA H 86 4.761 4.761 4.447 0.314 25124 12329 1 18 . 1 1 86 86 ASP C C 86 176.094 176.094 177.379 -1.285 25124 12330 1 18 . 1 1 86 86 ASP CA C 86 53.627 53.627 56.220 -2.593 25124 12331 1 18 . 1 1 86 86 ASP CB C 86 40.942 40.942 40.116 0.826 25124 12332 1 18 . 1 1 86 86 ASP H H 86 8.054 8.054 8.935 -0.881 25124 12333 1 18 . 1 1 87 87 LEU N N 87 122.041 122.041 120.006 2.035 25124 12334 1 18 . 1 1 87 87 LEU HA H 87 4.069 4.069 4.024 0.045 25124 12335 1 18 . 1 1 87 87 LEU C C 87 177.892 177.892 177.228 0.664 25124 12336 1 18 . 1 1 87 87 LEU CA C 87 57.182 57.182 57.273 -0.091 25124 12337 1 18 . 1 1 87 87 LEU CB C 87 42.015 42.015 41.840 0.174 25124 12338 1 18 . 1 1 87 87 LEU H H 87 8.005 8.005 7.391 0.614 25124 12339 1 18 . 1 1 88 88 ASP N N 88 118.050 118.050 120.470 -2.420 25124 12340 1 18 . 1 1 88 88 ASP HA H 88 4.370 4.370 4.224 0.146 25124 12341 1 18 . 1 1 88 88 ASP C C 88 178.103 178.103 178.019 0.084 25124 12342 1 18 . 1 1 88 88 ASP CA C 88 56.342 56.342 56.952 -0.610 25124 12343 1 18 . 1 1 88 88 ASP CB C 88 40.280 40.280 39.491 0.789 25124 12344 1 18 . 1 1 88 88 ASP H H 88 8.243 8.243 8.418 -0.175 25124 12345 1 18 . 1 1 89 89 ALA N N 89 122.780 122.780 121.618 1.162 25124 12346 1 18 . 1 1 89 89 ALA HA H 89 4.038 4.038 4.126 -0.088 25124 12347 1 18 . 1 1 89 89 ALA C C 89 178.526 178.526 178.749 -0.223 25124 12348 1 18 . 1 1 89 89 ALA CA C 89 54.655 54.655 54.096 0.559 25124 12349 1 18 . 1 1 89 89 ALA CB C 89 18.809 18.809 18.318 0.491 25124 12350 1 18 . 1 1 89 89 ALA H H 89 7.890 7.890 7.721 0.169 25124 12351 1 18 . 1 1 90 90 ALA N N 90 120.040 120.040 120.766 -0.726 25124 12352 1 18 . 1 1 90 90 ALA HA H 90 3.254 3.254 3.751 -0.497 25124 12353 1 18 . 1 1 90 90 ALA C C 90 178.976 178.976 179.283 -0.307 25124 12354 1 18 . 1 1 90 90 ALA CA C 90 55.050 55.050 54.635 0.415 25124 12355 1 18 . 1 1 90 90 ALA CB C 90 17.725 17.725 18.293 -0.568 25124 12356 1 18 . 1 1 90 90 ALA H H 90 7.513 7.513 7.841 -0.328 25124 12357 1 18 . 1 1 91 91 VAL N N 91 116.635 116.635 117.574 -0.939 25124 12358 1 18 . 1 1 91 91 VAL HA H 91 3.637 3.637 3.875 -0.238 25124 12359 1 18 . 1 1 91 91 VAL C C 91 178.632 178.632 177.663 0.969 25124 12360 1 18 . 1 1 91 91 VAL CA C 91 65.971 65.971 66.445 -0.474 25124 12361 1 18 . 1 1 91 91 VAL CB C 91 31.623 31.623 32.085 -0.462 25124 12362 1 18 . 1 1 91 91 VAL H H 91 7.877 7.877 7.497 0.380 25124 12363 1 18 . 1 1 92 92 SER N N 92 115.439 115.439 116.047 -0.608 25124 12364 1 18 . 1 1 92 92 SER HA H 92 4.215 4.215 4.018 0.197 25124 12365 1 18 . 1 1 92 92 SER C C 92 175.961 175.961 176.610 -0.649 25124 12366 1 18 . 1 1 92 92 SER CA C 92 61.401 61.401 61.681 -0.280 25124 12367 1 18 . 1 1 92 92 SER CB C 92 62.966 62.966 62.980 -0.014 25124 12368 1 18 . 1 1 92 92 SER H H 92 7.912 7.912 7.564 0.348 25124 12369 1 18 . 1 1 93 93 ALA N N 93 122.647 122.647 123.470 -0.823 25124 12370 1 18 . 1 1 93 93 ALA HA H 93 3.786 3.786 3.968 -0.182 25124 12371 1 18 . 1 1 93 93 ALA C C 93 179.293 179.293 179.697 -0.404 25124 12372 1 18 . 1 1 93 93 ALA CA C 93 55.172 55.172 54.615 0.556 25124 12373 1 18 . 1 1 93 93 ALA CB C 93 17.161 17.161 17.944 -0.783 25124 12374 1 18 . 1 1 93 93 ALA H H 93 8.199 8.199 8.175 0.024 25124 12375 1 18 . 1 1 94 94 TYR N N 94 117.796 117.796 117.708 0.088 25124 12376 1 18 . 1 1 94 94 TYR HA H 94 4.283 4.283 4.200 0.083 25124 12377 1 18 . 1 1 94 94 TYR C C 94 179.954 179.954 178.265 1.689 25124 12378 1 18 . 1 1 94 94 TYR CA C 94 61.216 61.216 61.526 -0.311 25124 12379 1 18 . 1 1 94 94 TYR CB C 94 37.716 37.716 37.753 -0.037 25124 12380 1 18 . 1 1 94 94 TYR H H 94 8.065 8.065 7.613 0.452 25124 12381 1 18 . 1 1 95 95 GLN N N 95 120.057 120.057 115.996 4.061 25124 12382 1 18 . 1 1 95 95 GLN HA H 95 4.005 4.005 4.119 -0.114 25124 12383 1 18 . 1 1 95 95 GLN C C 95 177.680 177.680 177.501 0.179 25124 12384 1 18 . 1 1 95 95 GLN CA C 95 58.471 58.471 58.127 0.344 25124 12385 1 18 . 1 1 95 95 GLN CB C 95 28.334 28.334 27.769 0.565 25124 12386 1 18 . 1 1 95 95 GLN H H 95 8.513 8.513 7.918 0.595 25124 12387 1 18 . 1 1 96 96 GLN N N 96 115.323 115.323 116.773 -1.450 25124 12388 1 18 . 1 1 96 96 GLN HA H 96 4.321 4.321 4.389 -0.068 25124 12389 1 18 . 1 1 96 96 GLN C C 96 175.538 175.538 176.000 -0.462 25124 12390 1 18 . 1 1 96 96 GLN CA C 96 55.379 55.379 55.872 -0.493 25124 12391 1 18 . 1 1 96 96 GLN CB C 96 28.915 28.915 29.967 -1.052 25124 12392 1 18 . 1 1 96 96 GLN H H 96 7.774 7.774 7.623 0.151 25124 12393 1 18 . 1 1 97 97 GLY N N 97 104.173 104.173 105.817 -1.644 25124 12394 1 18 . 1 1 97 97 GLY C C 97 175.168 175.168 173.968 1.200 25124 12395 1 18 . 1 1 97 97 GLY CA C 97 45.491 45.491 44.577 0.914 25124 12396 1 18 . 1 1 97 97 GLY H H 97 7.576 7.576 7.322 0.254 25124 12397 1 18 . 1 1 98 98 ALA N N 98 123.484 123.484 120.445 3.039 25124 12398 1 18 . 1 1 98 98 ALA HA H 98 4.266 4.266 4.136 0.130 25124 12399 1 18 . 1 1 98 98 ALA C C 98 176.067 176.067 176.582 -0.515 25124 12400 1 18 . 1 1 98 98 ALA CA C 98 53.008 53.008 52.512 0.496 25124 12401 1 18 . 1 1 98 98 ALA CB C 98 18.556 18.556 19.895 -1.339 25124 12402 1 18 . 1 1 98 98 ALA H H 98 8.358 8.358 7.678 0.680 25124 12403 1 18 . 1 1 99 99 PHE N N 99 123.551 123.551 120.603 2.948 25124 12404 1 18 . 1 1 99 99 PHE HA H 99 4.259 4.259 4.532 -0.273 25124 12405 1 18 . 1 1 99 99 PHE C C 99 175.432 175.432 175.449 -0.017 25124 12406 1 18 . 1 1 99 99 PHE CA C 99 60.274 60.274 58.696 1.578 25124 12407 1 18 . 1 1 99 99 PHE CB C 99 40.375 40.375 40.611 -0.236 25124 12408 1 18 . 1 1 99 99 PHE H H 99 9.477 9.477 8.604 0.873 25124 12409 1 18 . 1 1 100 100 ASP N N 100 110.678 110.678 114.672 -3.994 25124 12410 1 18 . 1 1 100 100 ASP HA H 100 4.547 4.547 4.751 -0.204 25124 12411 1 18 . 1 1 100 100 ASP C C 100 173.053 173.053 173.743 -0.690 25124 12412 1 18 . 1 1 100 100 ASP CA C 100 52.527 52.527 54.222 -1.695 25124 12413 1 18 . 1 1 100 100 ASP CB C 100 44.789 44.789 43.286 1.503 25124 12414 1 18 . 1 1 100 100 ASP H H 100 7.683 7.683 7.829 -0.146 25124 12415 1 18 . 1 1 101 101 TYR N N 101 122.174 122.174 121.852 0.322 25124 12416 1 18 . 1 1 101 101 TYR HA H 101 5.425 5.425 5.283 0.142 25124 12417 1 18 . 1 1 101 101 TYR C C 101 172.550 172.550 174.354 -1.804 25124 12418 1 18 . 1 1 101 101 TYR CA C 101 55.865 55.865 56.146 -0.281 25124 12419 1 18 . 1 1 101 101 TYR CB C 101 41.760 41.760 39.406 2.354 25124 12420 1 18 . 1 1 101 101 TYR H H 101 9.874 9.874 8.651 1.223 25124 12421 1 18 . 1 1 102 102 LEU N N 102 129.337 129.337 129.777 -0.440 25124 12422 1 18 . 1 1 102 102 LEU HA H 102 4.677 4.677 4.639 0.038 25124 12423 1 18 . 1 1 102 102 LEU CA C 102 50.418 50.418 50.660 -0.242 25124 12424 1 18 . 1 1 102 102 LEU CB C 102 45.066 45.066 43.488 1.578 25124 12425 1 18 . 1 1 102 102 LEU H H 102 8.974 8.974 8.017 0.957 25124 12426 1 18 . 1 1 103 103 PRO HA H 103 4.552 4.552 4.402 0.150 25124 12427 1 18 . 1 1 103 103 PRO C C 103 176.067 176.067 175.471 0.596 25124 12428 1 18 . 1 1 103 103 PRO CA C 103 61.951 61.951 62.284 -0.333 25124 12429 1 18 . 1 1 103 103 PRO CB C 103 31.829 31.829 32.320 -0.491 25124 12430 1 18 . 1 1 104 104 LYS N N 104 118.403 118.403 119.922 -1.519 25124 12431 1 18 . 1 1 104 104 LYS HA H 104 4.459 4.459 5.023 -0.564 25124 12432 1 18 . 1 1 104 104 LYS CA C 104 53.204 53.204 53.378 -0.174 25124 12433 1 18 . 1 1 104 104 LYS CB C 104 34.500 34.500 31.848 2.652 25124 12434 1 18 . 1 1 104 104 LYS H H 104 8.013 8.013 8.120 -0.107 25124 12435 1 18 . 1 1 105 105 PRO HA H 105 4.258 4.258 4.513 -0.255 25124 12436 1 18 . 1 1 105 105 PRO C C 105 174.930 174.930 176.058 -1.128 25124 12437 1 18 . 1 1 105 105 PRO CA C 105 62.213 62.213 63.092 -0.879 25124 12438 1 18 . 1 1 105 105 PRO CB C 105 34.151 34.151 31.915 2.236 25124 12439 1 18 . 1 1 106 106 PHE N N 106 116.796 116.796 120.219 -3.423 25124 12440 1 18 . 1 1 106 106 PHE HA H 106 5.169 5.169 4.746 0.423 25124 12441 1 18 . 1 1 106 106 PHE C C 106 175.194 175.194 174.494 0.700 25124 12442 1 18 . 1 1 106 106 PHE CA C 106 53.244 53.244 55.543 -2.299 25124 12443 1 18 . 1 1 106 106 PHE CB C 106 40.477 40.477 40.964 -0.487 25124 12444 1 18 . 1 1 106 106 PHE H H 106 7.399 7.399 7.604 -0.205 25124 12445 1 18 . 1 1 107 107 ASP N N 107 122.212 122.212 122.591 -0.379 25124 12446 1 18 . 1 1 107 107 ASP HA H 107 4.823 4.823 4.864 -0.041 25124 12447 1 18 . 1 1 107 107 ASP C C 107 177.812 177.812 177.539 0.273 25124 12448 1 18 . 1 1 107 107 ASP CA C 107 53.392 53.392 53.382 0.010 25124 12449 1 18 . 1 1 107 107 ASP CB C 107 42.455 42.455 41.358 1.097 25124 12450 1 18 . 1 1 107 107 ASP H H 107 9.047 9.047 8.588 0.459 25124 12451 1 18 . 1 1 108 108 ILE N N 108 127.963 127.963 122.103 5.860 25124 12452 1 18 . 1 1 108 108 ILE HA H 108 3.949 3.949 3.898 0.051 25124 12453 1 18 . 1 1 108 108 ILE C C 108 176.226 176.226 176.449 -0.223 25124 12454 1 18 . 1 1 108 108 ILE CA C 108 63.105 63.105 63.734 -0.629 25124 12455 1 18 . 1 1 108 108 ILE CB C 108 37.665 37.665 37.082 0.583 25124 12456 1 18 . 1 1 108 108 ILE H H 108 8.898 8.898 8.430 0.468 25124 12457 1 18 . 1 1 109 109 ASP N N 109 119.804 119.804 120.482 -0.678 25124 12458 1 18 . 1 1 109 109 ASP HA H 109 4.393 4.393 4.349 0.044 25124 12459 1 18 . 1 1 109 109 ASP C C 109 179.848 179.848 179.054 0.794 25124 12460 1 18 . 1 1 109 109 ASP CA C 109 57.483 57.483 58.063 -0.580 25124 12461 1 18 . 1 1 109 109 ASP CB C 109 39.986 39.986 40.149 -0.163 25124 12462 1 18 . 1 1 109 109 ASP H H 109 8.098 8.098 8.587 -0.489 25124 12463 1 18 . 1 1 110 110 GLU N N 110 121.667 121.667 119.151 2.516 25124 12464 1 18 . 1 1 110 110 GLU HA H 110 4.085 4.085 4.316 -0.231 25124 12465 1 18 . 1 1 110 110 GLU C C 110 178.976 178.976 178.084 0.892 25124 12466 1 18 . 1 1 110 110 GLU CA C 110 58.790 58.790 58.054 0.736 25124 12467 1 18 . 1 1 110 110 GLU CB C 110 29.330 29.330 29.770 -0.440 25124 12468 1 18 . 1 1 110 110 GLU H H 110 8.059 8.059 7.991 0.068 25124 12469 1 18 . 1 1 111 111 ALA N N 111 122.208 122.208 123.221 -1.013 25124 12470 1 18 . 1 1 111 111 ALA HA H 111 3.758 3.758 4.201 -0.443 25124 12471 1 18 . 1 1 111 111 ALA C C 111 178.605 178.605 179.458 -0.853 25124 12472 1 18 . 1 1 111 111 ALA CA C 111 55.320 55.320 55.093 0.227 25124 12473 1 18 . 1 1 111 111 ALA CB C 111 18.174 18.174 18.563 -0.389 25124 12474 1 18 . 1 1 111 111 ALA H H 111 7.903 7.903 7.684 0.219 25124 12475 1 18 . 1 1 112 112 VAL N N 112 116.429 116.429 118.167 -1.738 25124 12476 1 18 . 1 1 112 112 VAL HA H 112 3.194 3.194 3.625 -0.431 25124 12477 1 18 . 1 1 112 112 VAL C C 112 177.230 177.230 177.912 -0.682 25124 12478 1 18 . 1 1 112 112 VAL CA C 112 67.154 67.154 67.235 -0.081 25124 12479 1 18 . 1 1 112 112 VAL CB C 112 31.538 31.538 31.251 0.287 25124 12480 1 18 . 1 1 112 112 VAL H H 112 8.032 8.032 8.667 -0.635 25124 12481 1 18 . 1 1 113 113 ALA N N 113 120.198 120.198 119.981 0.217 25124 12482 1 18 . 1 1 113 113 ALA HA H 113 4.159 4.159 4.225 -0.066 25124 12483 1 18 . 1 1 113 113 ALA C C 113 180.589 180.589 179.118 1.471 25124 12484 1 18 . 1 1 113 113 ALA CA C 113 54.902 54.902 54.022 0.880 25124 12485 1 18 . 1 1 113 113 ALA CB C 113 17.980 17.980 18.836 -0.856 25124 12486 1 18 . 1 1 113 113 ALA H H 113 7.723 7.723 7.871 -0.148 25124 12487 1 18 . 1 1 114 114 LEU N N 114 120.742 120.742 120.148 0.594 25124 12488 1 18 . 1 1 114 114 LEU HA H 114 4.102 4.102 4.195 -0.093 25124 12489 1 18 . 1 1 114 114 LEU C C 114 178.605 178.605 178.290 0.315 25124 12490 1 18 . 1 1 114 114 LEU CA C 114 58.181 58.181 57.285 0.896 25124 12491 1 18 . 1 1 114 114 LEU CB C 114 42.032 42.032 42.087 -0.055 25124 12492 1 18 . 1 1 114 114 LEU H H 114 7.928 7.928 7.419 0.509 25124 12493 1 18 . 1 1 115 115 VAL N N 115 119.478 119.478 118.110 1.368 25124 12494 1 18 . 1 1 115 115 VAL HA H 115 3.250 3.250 3.446 -0.196 25124 12495 1 18 . 1 1 115 115 VAL C C 115 177.548 177.548 177.597 -0.049 25124 12496 1 18 . 1 1 115 115 VAL CA C 115 67.168 67.168 67.421 -0.253 25124 12497 1 18 . 1 1 115 115 VAL CB C 115 30.760 30.760 31.671 -0.911 25124 12498 1 18 . 1 1 115 115 VAL H H 115 7.846 7.846 8.425 -0.579 25124 12499 1 18 . 1 1 116 116 GLU N N 116 117.570 117.570 117.279 0.291 25124 12500 1 18 . 1 1 116 116 GLU HA H 116 3.809 3.809 4.068 -0.259 25124 12501 1 18 . 1 1 116 116 GLU C C 116 179.557 179.557 178.181 1.376 25124 12502 1 18 . 1 1 116 116 GLU CA C 116 59.974 59.974 58.311 1.663 25124 12503 1 18 . 1 1 116 116 GLU CB C 116 29.084 29.084 28.891 0.193 25124 12504 1 18 . 1 1 116 116 GLU H H 116 8.462 8.462 7.820 0.642 25124 12505 1 18 . 1 1 117 117 ARG N N 117 120.263 120.263 120.373 -0.110 25124 12506 1 18 . 1 1 117 117 ARG HA H 117 4.109 4.109 4.050 0.059 25124 12507 1 18 . 1 1 117 117 ARG C C 117 178.500 178.500 177.347 1.153 25124 12508 1 18 . 1 1 117 117 ARG CA C 117 59.411 59.411 59.479 -0.068 25124 12509 1 18 . 1 1 117 117 ARG CB C 117 30.414 30.414 30.227 0.187 25124 12510 1 18 . 1 1 117 117 ARG H H 117 8.090 8.090 7.579 0.511 25124 12511 1 18 . 1 1 118 118 ALA N N 118 122.157 122.157 118.115 4.042 25124 12512 1 18 . 1 1 118 118 ALA HA H 118 3.467 3.467 4.227 -0.760 25124 12513 1 18 . 1 1 118 118 ALA C C 118 178.632 178.632 179.905 -1.273 25124 12514 1 18 . 1 1 118 118 ALA CA C 118 54.739 54.739 53.462 1.277 25124 12515 1 18 . 1 1 118 118 ALA CB C 118 18.280 18.280 18.547 -0.267 25124 12516 1 18 . 1 1 118 118 ALA H H 118 8.005 8.005 7.116 0.889 25124 12517 1 18 . 1 1 119 119 ILE N N 119 115.429 115.429 120.096 -4.667 25124 12518 1 18 . 1 1 119 119 ILE HA H 119 3.706 3.706 3.716 -0.010 25124 12519 1 18 . 1 1 119 119 ILE C C 119 177.442 177.442 177.549 -0.107 25124 12520 1 18 . 1 1 119 119 ILE CA C 119 63.910 63.910 64.848 -0.938 25124 12521 1 18 . 1 1 119 119 ILE CB C 119 37.939 37.939 37.770 0.169 25124 12522 1 18 . 1 1 119 119 ILE H H 119 7.788 7.788 7.424 0.364 25124 12523 1 18 . 1 1 120 120 SER N N 120 114.902 114.902 114.171 0.731 25124 12524 1 18 . 1 1 120 120 SER HA H 120 4.285 4.285 4.129 0.156 25124 12525 1 18 . 1 1 120 120 SER C C 120 175.142 175.142 176.166 -1.024 25124 12526 1 18 . 1 1 120 120 SER CA C 120 59.871 59.871 60.820 -0.949 25124 12527 1 18 . 1 1 120 120 SER CB C 120 63.522 63.522 63.124 0.398 25124 12528 1 18 . 1 1 120 120 SER H H 120 7.881 7.881 8.568 -0.687 25124 12529 1 18 . 1 1 121 121 HIS N N 121 119.927 119.927 121.585 -1.658 25124 12530 1 18 . 1 1 121 121 HIS HA H 121 4.439 4.439 4.370 0.069 25124 12531 1 18 . 1 1 121 121 HIS C C 121 174.957 174.957 176.434 -1.477 25124 12532 1 18 . 1 1 121 121 HIS CA C 121 57.362 57.362 59.308 -1.946 25124 12533 1 18 . 1 1 121 121 HIS CB C 121 29.496 29.496 30.405 -0.909 25124 12534 1 18 . 1 1 121 121 HIS H H 121 7.960 7.960 8.110 -0.150 25124 12535 1 18 . 1 1 122 122 TYR N N 122 118.745 118.745 113.776 4.969 25124 12536 1 18 . 1 1 122 122 TYR HA H 122 4.455 4.455 4.800 -0.345 25124 12537 1 18 . 1 1 122 122 TYR C C 122 175.353 175.353 175.688 -0.335 25124 12538 1 18 . 1 1 122 122 TYR CA C 122 58.528 58.528 57.780 0.748 25124 12539 1 18 . 1 1 122 122 TYR CB C 122 38.726 38.726 39.611 -0.885 25124 12540 1 18 . 1 1 122 122 TYR H H 122 7.776 7.776 7.709 0.067 25124 12541 1 18 . 1 1 123 123 GLN N N 123 121.424 121.424 119.271 2.153 25124 12542 1 18 . 1 1 123 123 GLN HA H 123 4.294 4.294 4.301 -0.007 25124 12543 1 18 . 1 1 123 123 GLN C C 123 174.560 174.560 174.343 0.217 25124 12544 1 18 . 1 1 123 123 GLN CA C 123 55.658 55.658 54.109 1.549 25124 12545 1 18 . 1 1 123 123 GLN CB C 123 29.877 29.877 31.799 -1.922 25124 12546 1 18 . 1 1 123 123 GLN H H 123 7.904 7.904 7.255 0.649 25124 12547 1 19 . 1 1 2 2 GLN HA H 2 4.453 4.453 4.684 -0.231 25124 12548 1 19 . 1 1 2 2 GLN C C 2 174.930 174.930 175.034 -0.104 25124 12549 1 19 . 1 1 2 2 GLN CA C 2 55.627 55.627 55.138 0.489 25124 12550 1 19 . 1 1 2 2 GLN CB C 2 29.312 29.312 30.646 -1.334 25124 12551 1 19 . 1 1 3 3 ARG N N 3 121.349 121.349 119.126 2.223 25124 12552 1 19 . 1 1 3 3 ARG HA H 3 4.390 4.390 4.148 0.242 25124 12553 1 19 . 1 1 3 3 ARG C C 3 175.723 175.723 174.227 1.496 25124 12554 1 19 . 1 1 3 3 ARG CA C 3 56.041 56.041 56.375 -0.334 25124 12555 1 19 . 1 1 3 3 ARG CB C 3 31.395 31.395 30.443 0.952 25124 12556 1 19 . 1 1 3 3 ARG H H 3 8.451 8.451 8.480 -0.029 25124 12557 1 19 . 1 1 4 4 GLY N N 4 107.889 107.889 108.653 -0.764 25124 12558 1 19 . 1 1 4 4 GLY C C 4 171.122 171.122 172.259 -1.137 25124 12559 1 19 . 1 1 4 4 GLY CA C 4 45.333 45.333 44.670 0.662 25124 12560 1 19 . 1 1 4 4 GLY H H 4 8.037 8.037 8.130 -0.093 25124 12561 1 19 . 1 1 5 5 ILE N N 5 122.674 122.674 120.670 2.004 25124 12562 1 19 . 1 1 5 5 ILE HA H 5 4.731 4.731 3.961 0.770 25124 12563 1 19 . 1 1 5 5 ILE C C 5 175.459 175.459 174.503 0.956 25124 12564 1 19 . 1 1 5 5 ILE CA C 5 60.614 60.614 62.515 -1.901 25124 12565 1 19 . 1 1 5 5 ILE CB C 5 39.535 39.535 38.072 1.464 25124 12566 1 19 . 1 1 5 5 ILE H H 5 9.605 9.605 8.320 1.285 25124 12567 1 19 . 1 1 6 6 VAL N N 6 127.532 127.532 127.627 -0.095 25124 12568 1 19 . 1 1 6 6 VAL HA H 6 4.892 4.892 4.356 0.536 25124 12569 1 19 . 1 1 6 6 VAL C C 6 174.110 174.110 174.372 -0.262 25124 12570 1 19 . 1 1 6 6 VAL CA C 6 59.255 59.255 60.798 -1.543 25124 12571 1 19 . 1 1 6 6 VAL CB C 6 34.530 34.530 32.240 2.290 25124 12572 1 19 . 1 1 6 6 VAL H H 6 9.135 9.135 8.177 0.958 25124 12573 1 19 . 1 1 7 7 TRP N N 7 127.409 127.409 128.164 -0.755 25124 12574 1 19 . 1 1 7 7 TRP HA H 7 6.447 6.447 5.030 1.417 25124 12575 1 19 . 1 1 7 7 TRP C C 7 175.089 175.089 174.853 0.236 25124 12576 1 19 . 1 1 7 7 TRP CA C 7 52.797 52.797 54.764 -1.966 25124 12577 1 19 . 1 1 7 7 TRP CB C 7 33.255 33.255 30.001 3.254 25124 12578 1 19 . 1 1 7 7 TRP H H 7 8.544 8.544 8.631 -0.087 25124 12579 1 19 . 1 1 8 8 VAL N N 8 122.270 122.270 124.892 -2.622 25124 12580 1 19 . 1 1 8 8 VAL HA H 8 5.135 5.135 4.393 0.742 25124 12581 1 19 . 1 1 8 8 VAL C C 8 173.820 173.820 174.201 -0.381 25124 12582 1 19 . 1 1 8 8 VAL CA C 8 60.457 60.457 61.759 -1.302 25124 12583 1 19 . 1 1 8 8 VAL CB C 8 35.893 35.893 33.237 2.656 25124 12584 1 19 . 1 1 8 8 VAL H H 8 8.643 8.643 8.232 0.411 25124 12585 1 19 . 1 1 9 9 VAL N N 9 126.806 126.806 127.694 -0.888 25124 12586 1 19 . 1 1 9 9 VAL HA H 9 5.192 5.192 4.330 0.862 25124 12587 1 19 . 1 1 9 9 VAL C C 9 172.550 172.550 173.561 -1.011 25124 12588 1 19 . 1 1 9 9 VAL CA C 9 58.384 58.384 61.439 -3.055 25124 12589 1 19 . 1 1 9 9 VAL CB C 9 34.135 34.135 33.217 0.918 25124 12590 1 19 . 1 1 9 9 VAL H H 9 9.113 9.113 8.107 1.006 25124 12591 1 19 . 1 1 10 10 ASP N N 10 125.011 125.011 126.499 -1.488 25124 12592 1 19 . 1 1 10 10 ASP HA H 10 4.554 4.554 5.151 -0.597 25124 12593 1 19 . 1 1 10 10 ASP C C 10 174.877 174.877 174.134 0.743 25124 12594 1 19 . 1 1 10 10 ASP CA C 10 55.066 55.066 53.309 1.757 25124 12595 1 19 . 1 1 10 10 ASP CB C 10 44.131 44.131 43.458 0.673 25124 12596 1 19 . 1 1 10 10 ASP H H 10 7.881 7.881 8.203 -0.322 25124 12597 1 19 . 1 1 11 11 ASP N N 11 124.048 124.048 119.918 4.130 25124 12598 1 19 . 1 1 11 11 ASP HA H 11 4.613 4.613 4.702 -0.089 25124 12599 1 19 . 1 1 11 11 ASP C C 11 175.089 175.089 174.660 0.429 25124 12600 1 19 . 1 1 11 11 ASP CA C 11 55.346 55.346 54.061 1.285 25124 12601 1 19 . 1 1 11 11 ASP CB C 11 39.583 39.583 41.048 -1.465 25124 12602 1 19 . 1 1 11 11 ASP H H 11 9.166 9.166 8.439 0.727 25124 12603 1 19 . 1 1 12 12 ASP N N 12 125.165 125.165 121.605 3.560 25124 12604 1 19 . 1 1 12 12 ASP HA H 12 4.757 4.757 4.811 -0.054 25124 12605 1 19 . 1 1 12 12 ASP C C 12 176.993 176.993 175.994 0.999 25124 12606 1 19 . 1 1 12 12 ASP CA C 12 53.112 53.112 54.306 -1.194 25124 12607 1 19 . 1 1 12 12 ASP CB C 12 41.072 41.072 43.834 -2.762 25124 12608 1 19 . 1 1 12 12 ASP H H 12 10.290 10.290 7.715 2.575 25124 12609 1 19 . 1 1 13 13 SER N N 13 123.818 123.818 119.590 4.228 25124 12610 1 19 . 1 1 13 13 SER HA H 13 3.719 3.719 4.161 -0.442 25124 12611 1 19 . 1 1 13 13 SER C C 13 176.146 176.146 176.334 -0.188 25124 12612 1 19 . 1 1 13 13 SER CA C 13 61.341 61.341 61.615 -0.274 25124 12613 1 19 . 1 1 13 13 SER CB C 13 62.638 62.638 63.477 -0.839 25124 12614 1 19 . 1 1 13 13 SER H H 13 8.993 8.993 8.802 0.191 25124 12615 1 19 . 1 1 14 14 SER N N 14 118.714 118.714 117.580 1.134 25124 12616 1 19 . 1 1 14 14 SER HA H 14 4.322 4.322 4.333 -0.011 25124 12617 1 19 . 1 1 14 14 SER C C 14 176.411 176.411 175.939 0.472 25124 12618 1 19 . 1 1 14 14 SER CA C 14 61.717 61.717 61.604 0.113 25124 12619 1 19 . 1 1 14 14 SER CB C 14 62.554 62.554 62.585 -0.031 25124 12620 1 19 . 1 1 14 14 SER H H 14 8.499 8.499 8.132 0.367 25124 12621 1 19 . 1 1 15 15 ILE N N 15 122.822 122.822 119.366 3.456 25124 12622 1 19 . 1 1 15 15 ILE HA H 15 3.972 3.972 3.750 0.222 25124 12623 1 19 . 1 1 15 15 ILE C C 15 177.786 177.786 178.160 -0.374 25124 12624 1 19 . 1 1 15 15 ILE CA C 15 60.784 60.784 63.400 -2.616 25124 12625 1 19 . 1 1 15 15 ILE CB C 15 36.016 36.016 36.385 -0.369 25124 12626 1 19 . 1 1 15 15 ILE H H 15 7.011 7.011 8.455 -1.444 25124 12627 1 19 . 1 1 16 16 ARG N N 16 116.580 116.580 119.131 -2.551 25124 12628 1 19 . 1 1 16 16 ARG HA H 16 3.711 3.711 4.175 -0.464 25124 12629 1 19 . 1 1 16 16 ARG C C 16 177.336 177.336 178.660 -1.324 25124 12630 1 19 . 1 1 16 16 ARG CA C 16 61.632 61.632 59.436 2.196 25124 12631 1 19 . 1 1 16 16 ARG CB C 16 30.520 30.520 30.108 0.412 25124 12632 1 19 . 1 1 16 16 ARG H H 16 7.370 7.370 7.585 -0.214 25124 12633 1 19 . 1 1 17 17 TRP N N 17 116.893 116.893 122.750 -5.857 25124 12634 1 19 . 1 1 17 17 TRP HA H 17 4.481 4.481 4.334 0.147 25124 12635 1 19 . 1 1 17 17 TRP C C 17 178.394 178.394 177.977 0.417 25124 12636 1 19 . 1 1 17 17 TRP CA C 17 60.482 60.482 61.862 -1.380 25124 12637 1 19 . 1 1 17 17 TRP CB C 17 29.372 29.372 29.435 -0.063 25124 12638 1 19 . 1 1 17 17 TRP H H 17 8.020 8.020 8.352 -0.332 25124 12639 1 19 . 1 1 18 18 VAL N N 18 116.799 116.799 116.591 0.208 25124 12640 1 19 . 1 1 18 18 VAL HA H 18 3.662 3.662 2.639 1.023 25124 12641 1 19 . 1 1 18 18 VAL C C 18 179.161 179.161 177.839 1.322 25124 12642 1 19 . 1 1 18 18 VAL CA C 18 65.858 65.858 65.382 0.476 25124 12643 1 19 . 1 1 18 18 VAL CB C 18 31.792 31.792 30.953 0.839 25124 12644 1 19 . 1 1 18 18 VAL H H 18 8.085 8.085 8.021 0.064 25124 12645 1 19 . 1 1 19 19 LEU N N 19 119.595 119.595 120.523 -0.928 25124 12646 1 19 . 1 1 19 19 LEU HA H 19 4.083 4.083 3.867 0.216 25124 12647 1 19 . 1 1 19 19 LEU C C 19 177.759 177.759 178.703 -0.944 25124 12648 1 19 . 1 1 19 19 LEU CA C 19 57.971 57.971 57.657 0.314 25124 12649 1 19 . 1 1 19 19 LEU CB C 19 41.863 41.863 41.629 0.234 25124 12650 1 19 . 1 1 19 19 LEU H H 19 8.035 8.035 7.358 0.677 25124 12651 1 19 . 1 1 20 20 GLU N N 20 120.318 120.318 119.674 0.644 25124 12652 1 19 . 1 1 20 20 GLU HA H 20 4.007 4.007 3.854 0.153 25124 12653 1 19 . 1 1 20 20 GLU C C 20 178.500 178.500 179.162 -0.662 25124 12654 1 19 . 1 1 20 20 GLU CA C 20 60.567 60.567 59.509 1.058 25124 12655 1 19 . 1 1 20 20 GLU CB C 20 29.073 29.073 29.378 -0.305 25124 12656 1 19 . 1 1 20 20 GLU H H 20 8.417 8.417 7.787 0.630 25124 12657 1 19 . 1 1 21 21 ARG N N 21 115.981 115.981 118.224 -2.243 25124 12658 1 19 . 1 1 21 21 ARG HA H 21 3.898 3.898 3.912 -0.014 25124 12659 1 19 . 1 1 21 21 ARG C C 21 179.769 179.769 177.907 1.862 25124 12660 1 19 . 1 1 21 21 ARG CA C 21 58.491 58.491 58.685 -0.194 25124 12661 1 19 . 1 1 21 21 ARG CB C 21 29.966 29.966 29.973 -0.007 25124 12662 1 19 . 1 1 21 21 ARG H H 21 7.579 7.579 7.838 -0.259 25124 12663 1 19 . 1 1 22 22 ALA N N 22 122.267 122.267 121.608 0.659 25124 12664 1 19 . 1 1 22 22 ALA HA H 22 4.110 4.110 4.197 -0.087 25124 12665 1 19 . 1 1 22 22 ALA C C 22 180.456 180.456 179.631 0.825 25124 12666 1 19 . 1 1 22 22 ALA CA C 22 54.643 54.643 54.414 0.229 25124 12667 1 19 . 1 1 22 22 ALA CB C 22 19.225 19.225 18.681 0.544 25124 12668 1 19 . 1 1 22 22 ALA H H 22 7.933 7.933 7.615 0.318 25124 12669 1 19 . 1 1 23 23 LEU N N 23 118.139 118.139 119.637 -1.498 25124 12670 1 19 . 1 1 23 23 LEU HA H 23 4.005 4.005 3.882 0.123 25124 12671 1 19 . 1 1 23 23 LEU C C 23 178.843 178.843 179.412 -0.569 25124 12672 1 19 . 1 1 23 23 LEU CA C 23 57.765 57.765 57.859 -0.094 25124 12673 1 19 . 1 1 23 23 LEU CB C 23 39.919 39.919 41.428 -1.509 25124 12674 1 19 . 1 1 23 23 LEU H H 23 8.855 8.855 8.542 0.313 25124 12675 1 19 . 1 1 24 24 ALA N N 24 122.164 122.164 119.701 2.463 25124 12676 1 19 . 1 1 24 24 ALA HA H 24 4.665 4.665 4.064 0.602 25124 12677 1 19 . 1 1 24 24 ALA C C 24 183.206 183.206 179.446 3.760 25124 12678 1 19 . 1 1 24 24 ALA CA C 24 54.812 54.812 54.414 0.398 25124 12679 1 19 . 1 1 24 24 ALA CB C 24 17.820 17.820 18.362 -0.542 25124 12680 1 19 . 1 1 24 24 ALA H H 24 8.238 8.238 7.945 0.293 25124 12681 1 19 . 1 1 25 25 GLY N N 25 106.903 106.903 105.251 1.652 25124 12682 1 19 . 1 1 25 25 GLY C C 25 174.375 174.375 175.111 -0.736 25124 12683 1 19 . 1 1 25 25 GLY CA C 25 46.550 46.550 45.624 0.926 25124 12684 1 19 . 1 1 25 25 GLY H H 25 7.907 7.907 7.730 0.177 25124 12685 1 19 . 1 1 26 26 ALA N N 26 121.832 121.832 121.848 -0.016 25124 12686 1 19 . 1 1 26 26 ALA HA H 26 4.505 4.505 4.585 -0.080 25124 12687 1 19 . 1 1 26 26 ALA CA C 26 51.585 51.585 51.664 -0.079 25124 12688 1 19 . 1 1 26 26 ALA CB C 26 18.799 18.799 19.396 -0.597 25124 12689 1 19 . 1 1 26 26 ALA H H 26 7.316 7.316 7.814 -0.498 25124 12690 1 19 . 1 1 27 27 GLY N N 27 106.146 106.146 106.944 -0.798 25124 12691 1 19 . 1 1 27 27 GLY C C 27 174.057 174.057 174.280 -0.223 25124 12692 1 19 . 1 1 27 27 GLY CA C 27 45.333 45.333 45.194 0.139 25124 12693 1 19 . 1 1 27 27 GLY H H 27 7.868 7.868 7.874 -0.006 25124 12694 1 19 . 1 1 28 28 LEU N N 28 120.273 120.273 121.766 -1.493 25124 12695 1 19 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.135 0.440 25124 12696 1 19 . 1 1 28 28 LEU C C 28 175.988 175.988 177.000 -1.012 25124 12697 1 19 . 1 1 28 28 LEU CA C 28 53.881 53.881 54.881 -1.000 25124 12698 1 19 . 1 1 28 28 LEU CB C 28 42.540 42.540 41.916 0.624 25124 12699 1 19 . 1 1 28 28 LEU H H 28 7.659 7.659 7.504 0.155 25124 12700 1 19 . 1 1 29 29 THR N N 29 118.173 118.173 119.238 -1.065 25124 12701 1 19 . 1 1 29 29 THR HA H 29 4.346 4.346 4.188 0.158 25124 12702 1 19 . 1 1 29 29 THR C C 29 173.344 173.344 173.839 -0.495 25124 12703 1 19 . 1 1 29 29 THR CA C 29 62.598 62.598 63.965 -1.367 25124 12704 1 19 . 1 1 29 29 THR CB C 29 69.423 69.423 68.718 0.705 25124 12705 1 19 . 1 1 29 29 THR H H 29 8.562 8.562 8.192 0.370 25124 12706 1 19 . 1 1 30 30 CYS N N 30 128.450 128.450 127.799 0.651 25124 12707 1 19 . 1 1 30 30 CYS HA H 30 6.012 6.012 4.631 1.381 25124 12708 1 19 . 1 1 30 30 CYS C C 30 173.978 173.978 173.720 0.258 25124 12709 1 19 . 1 1 30 30 CYS CA C 30 56.424 56.424 57.802 -1.378 25124 12710 1 19 . 1 1 30 30 CYS CB C 30 29.615 29.615 28.961 0.654 25124 12711 1 19 . 1 1 30 30 CYS H H 30 9.035 9.035 8.821 0.214 25124 12712 1 19 . 1 1 31 31 THR N N 31 126.377 126.377 124.268 2.109 25124 12713 1 19 . 1 1 31 31 THR HA H 31 4.442 4.442 4.616 -0.174 25124 12714 1 19 . 1 1 31 31 THR C C 31 172.683 172.683 172.971 -0.288 25124 12715 1 19 . 1 1 31 31 THR CA C 31 61.956 61.956 61.479 0.477 25124 12716 1 19 . 1 1 31 31 THR CB C 31 70.624 70.624 72.068 -1.444 25124 12717 1 19 . 1 1 31 31 THR H H 31 8.510 8.510 8.414 0.096 25124 12718 1 19 . 1 1 32 32 THR N N 32 115.988 115.988 113.772 2.216 25124 12719 1 19 . 1 1 32 32 THR HA H 32 5.454 5.454 4.841 0.613 25124 12720 1 19 . 1 1 32 32 THR C C 32 172.259 172.259 173.027 -0.768 25124 12721 1 19 . 1 1 32 32 THR CA C 32 59.101 59.101 60.340 -1.238 25124 12722 1 19 . 1 1 32 32 THR CB C 32 71.173 71.173 71.173 -0.000 25124 12723 1 19 . 1 1 32 32 THR H H 32 8.301 8.301 7.815 0.486 25124 12724 1 19 . 1 1 33 33 PHE N N 33 117.690 117.690 122.148 -4.458 25124 12725 1 19 . 1 1 33 33 PHE HA H 33 4.723 4.723 4.835 -0.112 25124 12726 1 19 . 1 1 33 33 PHE C C 33 174.507 174.507 176.400 -1.893 25124 12727 1 19 . 1 1 33 33 PHE CA C 33 56.504 56.504 57.687 -1.183 25124 12728 1 19 . 1 1 33 33 PHE CB C 33 43.589 43.589 41.508 2.081 25124 12729 1 19 . 1 1 33 33 PHE H H 33 8.834 8.834 8.853 -0.019 25124 12730 1 19 . 1 1 34 34 GLU N N 34 118.296 118.296 114.535 3.761 25124 12731 1 19 . 1 1 34 34 GLU HA H 34 4.451 4.451 4.106 0.345 25124 12732 1 19 . 1 1 34 34 GLU C C 34 174.957 174.957 175.759 -0.802 25124 12733 1 19 . 1 1 34 34 GLU CA C 34 56.661 56.661 58.579 -1.918 25124 12734 1 19 . 1 1 34 34 GLU CB C 34 31.792 31.792 28.502 3.290 25124 12735 1 19 . 1 1 34 34 GLU H H 34 9.096 9.096 8.957 0.139 25124 12736 1 19 . 1 1 35 35 ASN N N 35 108.486 108.486 117.565 -9.079 25124 12737 1 19 . 1 1 35 35 ASN HA H 35 4.960 4.960 4.975 -0.015 25124 12738 1 19 . 1 1 35 35 ASN C C 35 175.353 175.353 176.593 -1.240 25124 12739 1 19 . 1 1 35 35 ASN CA C 35 52.364 52.364 51.474 0.890 25124 12740 1 19 . 1 1 35 35 ASN CB C 35 40.932 40.932 39.651 1.281 25124 12741 1 19 . 1 1 35 35 ASN H H 35 7.286 7.286 8.052 -0.766 25124 12742 1 19 . 1 1 36 36 GLY N N 36 105.329 105.329 109.295 -3.966 25124 12743 1 19 . 1 1 36 36 GLY C C 36 174.586 174.586 175.170 -0.584 25124 12744 1 19 . 1 1 36 36 GLY CA C 36 47.533 47.533 46.871 0.662 25124 12745 1 19 . 1 1 36 36 GLY H H 36 9.369 9.369 9.004 0.365 25124 12746 1 19 . 1 1 37 37 ASN N N 37 120.396 120.396 117.402 2.994 25124 12747 1 19 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.289 0.073 25124 12748 1 19 . 1 1 37 37 ASN C C 37 178.791 178.791 176.982 1.809 25124 12749 1 19 . 1 1 37 37 ASN CA C 37 56.843 56.843 56.018 0.825 25124 12750 1 19 . 1 1 37 37 ASN CB C 37 37.716 37.716 38.221 -0.505 25124 12751 1 19 . 1 1 37 37 ASN H H 37 8.440 8.440 8.274 0.166 25124 12752 1 19 . 1 1 38 38 GLU N N 38 119.334 119.334 119.064 0.270 25124 12753 1 19 . 1 1 38 38 GLU HA H 38 4.058 4.058 4.145 -0.087 25124 12754 1 19 . 1 1 38 38 GLU C C 38 179.372 179.372 178.925 0.447 25124 12755 1 19 . 1 1 38 38 GLU CA C 38 58.790 58.790 59.232 -0.442 25124 12756 1 19 . 1 1 38 38 GLU CB C 38 30.692 30.692 30.006 0.686 25124 12757 1 19 . 1 1 38 38 GLU H H 38 8.063 8.063 8.038 0.025 25124 12758 1 19 . 1 1 39 39 VAL N N 39 119.047 119.047 120.748 -1.701 25124 12759 1 19 . 1 1 39 39 VAL HA H 39 2.599 2.599 2.439 0.160 25124 12760 1 19 . 1 1 39 39 VAL C C 39 176.807 176.807 177.937 -1.130 25124 12761 1 19 . 1 1 39 39 VAL CA C 39 65.222 65.222 65.651 -0.429 25124 12762 1 19 . 1 1 39 39 VAL CB C 39 31.078 31.078 31.069 0.009 25124 12763 1 19 . 1 1 39 39 VAL H H 39 6.844 6.844 7.213 -0.369 25124 12764 1 19 . 1 1 40 40 LEU N N 40 118.385 118.385 121.557 -3.172 25124 12765 1 19 . 1 1 40 40 LEU HA H 40 3.929 3.929 4.052 -0.123 25124 12766 1 19 . 1 1 40 40 LEU C C 40 179.584 179.584 178.739 0.845 25124 12767 1 19 . 1 1 40 40 LEU CA C 40 57.943 57.943 57.907 0.036 25124 12768 1 19 . 1 1 40 40 LEU CB C 40 40.932 40.932 40.336 0.596 25124 12769 1 19 . 1 1 40 40 LEU H H 40 7.715 7.715 7.835 -0.120 25124 12770 1 19 . 1 1 41 41 ALA N N 41 120.091 120.091 120.850 -0.759 25124 12771 1 19 . 1 1 41 41 ALA HA H 41 4.158 4.158 3.976 0.182 25124 12772 1 19 . 1 1 41 41 ALA C C 41 180.562 180.562 178.939 1.623 25124 12773 1 19 . 1 1 41 41 ALA CA C 41 54.717 54.717 54.847 -0.130 25124 12774 1 19 . 1 1 41 41 ALA CB C 41 17.853 17.853 18.126 -0.273 25124 12775 1 19 . 1 1 41 41 ALA H H 41 7.671 7.671 7.836 -0.165 25124 12776 1 19 . 1 1 42 42 ALA N N 42 122.650 122.650 119.525 3.125 25124 12777 1 19 . 1 1 42 42 ALA HA H 42 4.221 4.221 4.358 -0.137 25124 12778 1 19 . 1 1 42 42 ALA C C 42 180.166 180.166 179.556 0.610 25124 12779 1 19 . 1 1 42 42 ALA CA C 42 54.974 54.974 53.996 0.978 25124 12780 1 19 . 1 1 42 42 ALA CB C 42 19.488 19.488 18.862 0.626 25124 12781 1 19 . 1 1 42 42 ALA H H 42 7.573 7.573 7.229 0.344 25124 12782 1 19 . 1 1 43 43 LEU N N 43 119.321 119.321 121.201 -1.880 25124 12783 1 19 . 1 1 43 43 LEU HA H 43 5.260 5.260 4.625 0.635 25124 12784 1 19 . 1 1 43 43 LEU C C 43 177.389 177.389 180.158 -2.769 25124 12785 1 19 . 1 1 43 43 LEU CA C 43 55.446 55.446 57.909 -2.463 25124 12786 1 19 . 1 1 43 43 LEU CB C 43 42.879 42.879 42.067 0.812 25124 12787 1 19 . 1 1 43 43 LEU H H 43 8.289 8.289 8.424 -0.135 25124 12788 1 19 . 1 1 44 44 ALA N N 44 118.995 118.995 119.371 -0.376 25124 12789 1 19 . 1 1 44 44 ALA HA H 44 4.232 4.232 4.173 0.059 25124 12790 1 19 . 1 1 44 44 ALA C C 44 178.738 178.738 178.394 0.344 25124 12791 1 19 . 1 1 44 44 ALA CA C 44 54.353 54.353 54.289 0.064 25124 12792 1 19 . 1 1 44 44 ALA CB C 44 18.674 18.674 18.509 0.165 25124 12793 1 19 . 1 1 44 44 ALA H H 44 7.307 7.307 8.046 -0.739 25124 12794 1 19 . 1 1 45 45 SER N N 45 108.530 108.530 112.438 -3.908 25124 12795 1 19 . 1 1 45 45 SER HA H 45 4.761 4.761 4.484 0.277 25124 12796 1 19 . 1 1 45 45 SER C C 45 173.344 173.344 174.982 -1.638 25124 12797 1 19 . 1 1 45 45 SER CA C 45 58.682 58.682 59.867 -1.185 25124 12798 1 19 . 1 1 45 45 SER CB C 45 65.446 65.446 64.331 1.115 25124 12799 1 19 . 1 1 45 45 SER H H 45 7.772 7.772 7.903 -0.131 25124 12800 1 19 . 1 1 46 46 LYS N N 46 122.965 122.965 119.135 3.830 25124 12801 1 19 . 1 1 46 46 LYS HA H 46 4.608 4.608 4.570 0.038 25124 12802 1 19 . 1 1 46 46 LYS C C 46 172.815 172.815 174.306 -1.491 25124 12803 1 19 . 1 1 46 46 LYS CA C 46 55.601 55.601 55.339 0.262 25124 12804 1 19 . 1 1 46 46 LYS CB C 46 36.399 36.399 36.412 -0.013 25124 12805 1 19 . 1 1 46 46 LYS H H 46 8.096 8.096 8.544 -0.448 25124 12806 1 19 . 1 1 47 47 THR N N 47 111.524 111.524 114.022 -2.498 25124 12807 1 19 . 1 1 47 47 THR HA H 47 4.307 4.307 4.484 -0.177 25124 12808 1 19 . 1 1 47 47 THR CA C 47 57.896 57.896 58.471 -0.575 25124 12809 1 19 . 1 1 47 47 THR CB C 47 70.570 70.570 68.879 1.691 25124 12810 1 19 . 1 1 47 47 THR H H 47 7.708 7.708 8.180 -0.472 25124 12811 1 19 . 1 1 48 48 PRO HA H 48 3.944 3.944 3.917 0.027 25124 12812 1 19 . 1 1 48 48 PRO C C 48 173.079 173.079 175.974 -2.895 25124 12813 1 19 . 1 1 48 48 PRO CA C 48 60.922 60.922 62.067 -1.145 25124 12814 1 19 . 1 1 48 48 PRO CB C 48 30.353 30.353 32.235 -1.882 25124 12815 1 19 . 1 1 49 49 ASP N N 49 115.001 115.001 119.801 -4.800 25124 12816 1 19 . 1 1 49 49 ASP HA H 49 4.460 4.460 4.493 -0.033 25124 12817 1 19 . 1 1 49 49 ASP C C 49 175.591 175.591 176.203 -0.612 25124 12818 1 19 . 1 1 49 49 ASP CA C 49 56.504 56.504 56.267 0.237 25124 12819 1 19 . 1 1 49 49 ASP CB C 49 42.625 42.625 42.255 0.370 25124 12820 1 19 . 1 1 49 49 ASP H H 49 8.535 8.535 8.111 0.424 25124 12821 1 19 . 1 1 50 50 VAL N N 50 111.832 111.832 117.428 -5.596 25124 12822 1 19 . 1 1 50 50 VAL HA H 50 4.316 4.316 4.290 0.026 25124 12823 1 19 . 1 1 50 50 VAL C C 50 171.572 171.572 174.346 -2.774 25124 12824 1 19 . 1 1 50 50 VAL CA C 50 60.398 60.398 61.108 -0.710 25124 12825 1 19 . 1 1 50 50 VAL CB C 50 34.650 34.650 32.890 1.760 25124 12826 1 19 . 1 1 50 50 VAL H H 50 7.194 7.194 7.532 -0.338 25124 12827 1 19 . 1 1 51 51 LEU N N 51 127.785 127.785 127.488 0.297 25124 12828 1 19 . 1 1 51 51 LEU HA H 51 5.376 5.376 5.063 0.313 25124 12829 1 19 . 1 1 51 51 LEU C C 51 173.264 173.264 175.099 -1.835 25124 12830 1 19 . 1 1 51 51 LEU CA C 51 53.137 53.137 53.909 -0.772 25124 12831 1 19 . 1 1 51 51 LEU CB C 51 46.680 46.680 44.873 1.807 25124 12832 1 19 . 1 1 51 51 LEU H H 51 8.049 8.049 8.292 -0.243 25124 12833 1 19 . 1 1 52 52 LEU N N 52 128.943 128.943 125.271 3.672 25124 12834 1 19 . 1 1 52 52 LEU HA H 52 5.312 5.312 5.241 0.071 25124 12835 1 19 . 1 1 52 52 LEU C C 52 174.692 174.692 176.402 -1.710 25124 12836 1 19 . 1 1 52 52 LEU CA C 52 54.313 54.313 53.914 0.399 25124 12837 1 19 . 1 1 52 52 LEU CB C 52 43.961 43.961 42.959 1.002 25124 12838 1 19 . 1 1 52 52 LEU H H 52 9.278 9.278 8.001 1.277 25124 12839 1 19 . 1 1 53 53 SER N N 53 116.717 116.717 118.113 -1.396 25124 12840 1 19 . 1 1 53 53 SER HA H 53 5.395 5.395 4.720 0.675 25124 12841 1 19 . 1 1 53 53 SER C C 53 173.608 173.608 173.227 0.381 25124 12842 1 19 . 1 1 53 53 SER CA C 53 56.226 56.226 57.624 -1.398 25124 12843 1 19 . 1 1 53 53 SER CB C 53 65.753 65.753 65.250 0.503 25124 12844 1 19 . 1 1 53 53 SER H H 53 9.256 9.256 8.503 0.753 25124 12845 1 19 . 1 1 54 54 ASP N N 54 127.909 127.909 120.990 6.919 25124 12846 1 19 . 1 1 54 54 ASP HA H 54 5.622 5.622 5.477 0.145 25124 12847 1 19 . 1 1 54 54 ASP C C 54 175.723 175.723 176.031 -0.308 25124 12848 1 19 . 1 1 54 54 ASP CA C 54 53.268 53.268 52.616 0.652 25124 12849 1 19 . 1 1 54 54 ASP CB C 54 44.386 44.386 43.675 0.712 25124 12850 1 19 . 1 1 54 54 ASP H H 54 8.219 8.219 8.621 -0.402 25124 12851 1 19 . 1 1 55 55 ILE N N 55 117.015 117.015 115.843 1.172 25124 12852 1 19 . 1 1 55 55 ILE HA H 55 4.116 4.116 4.519 -0.403 25124 12853 1 19 . 1 1 55 55 ILE C C 55 176.913 176.913 175.308 1.605 25124 12854 1 19 . 1 1 55 55 ILE CA C 55 65.290 65.290 59.756 5.534 25124 12855 1 19 . 1 1 55 55 ILE CB C 55 38.487 38.487 36.845 1.642 25124 12856 1 19 . 1 1 55 55 ILE H H 55 7.812 7.812 8.411 -0.599 25124 12857 1 19 . 1 1 56 56 ARG N N 56 117.365 117.365 121.413 -4.048 25124 12858 1 19 . 1 1 56 56 ARG HA H 56 4.379 4.379 4.436 -0.057 25124 12859 1 19 . 1 1 56 56 ARG C C 56 172.788 172.788 174.159 -1.371 25124 12860 1 19 . 1 1 56 56 ARG CA C 56 57.034 57.034 56.000 1.034 25124 12861 1 19 . 1 1 56 56 ARG CB C 56 27.600 27.600 29.932 -2.332 25124 12862 1 19 . 1 1 56 56 ARG H H 56 8.991 8.991 7.955 1.036 25124 12863 1 19 . 1 1 57 57 MET N N 57 129.539 129.539 118.350 11.189 25124 12864 1 19 . 1 1 57 57 MET HA H 57 4.767 4.767 5.021 -0.254 25124 12865 1 19 . 1 1 57 57 MET CA C 57 53.641 53.641 52.539 1.102 25124 12866 1 19 . 1 1 57 57 MET CB C 57 36.484 36.484 33.175 3.309 25124 12867 1 19 . 1 1 57 57 MET H H 57 7.501 7.501 7.716 -0.215 25124 12868 1 19 . 1 1 58 58 PRO HA H 58 4.379 4.379 4.491 -0.112 25124 12869 1 19 . 1 1 58 58 PRO C C 58 177.495 177.495 176.134 1.361 25124 12870 1 19 . 1 1 58 58 PRO CA C 58 63.104 63.104 63.210 -0.106 25124 12871 1 19 . 1 1 58 58 PRO CB C 58 31.922 31.922 30.207 1.715 25124 12872 1 19 . 1 1 59 59 GLY N N 59 112.312 112.312 110.211 2.101 25124 12873 1 19 . 1 1 59 59 GLY C C 59 173.793 173.793 173.167 0.626 25124 12874 1 19 . 1 1 59 59 GLY CA C 59 46.430 46.430 45.792 0.638 25124 12875 1 19 . 1 1 59 59 GLY H H 59 8.656 8.656 8.491 0.165 25124 12876 1 19 . 1 1 60 60 MET N N 60 124.343 124.343 119.578 4.765 25124 12877 1 19 . 1 1 60 60 MET HA H 60 4.344 4.344 4.557 -0.213 25124 12878 1 19 . 1 1 60 60 MET C C 60 174.190 174.190 174.363 -0.173 25124 12879 1 19 . 1 1 60 60 MET CA C 60 55.871 55.871 56.295 -0.424 25124 12880 1 19 . 1 1 60 60 MET CB C 60 34.955 34.955 33.687 1.268 25124 12881 1 19 . 1 1 60 60 MET H H 60 7.778 7.778 8.025 -0.247 25124 12882 1 19 . 1 1 61 61 ASP N N 61 124.993 124.993 116.350 8.643 25124 12883 1 19 . 1 1 61 61 ASP HA H 61 4.870 4.870 4.758 0.112 25124 12884 1 19 . 1 1 61 61 ASP C C 61 176.966 176.966 175.247 1.719 25124 12885 1 19 . 1 1 61 61 ASP CA C 61 53.490 53.490 53.618 -0.128 25124 12886 1 19 . 1 1 61 61 ASP CB C 61 42.347 42.347 41.474 0.873 25124 12887 1 19 . 1 1 61 61 ASP H H 61 8.378 8.378 7.760 0.618 25124 12888 1 19 . 1 1 62 62 GLY N N 62 105.163 105.163 105.564 -0.401 25124 12889 1 19 . 1 1 62 62 GLY C C 62 175.935 175.935 175.427 0.508 25124 12890 1 19 . 1 1 62 62 GLY CA C 62 46.755 46.755 45.155 1.600 25124 12891 1 19 . 1 1 62 62 GLY H H 62 10.153 10.153 8.577 1.576 25124 12892 1 19 . 1 1 63 63 LEU N N 63 120.509 120.509 121.331 -0.822 25124 12893 1 19 . 1 1 63 63 LEU HA H 63 4.293 4.293 4.297 -0.004 25124 12894 1 19 . 1 1 63 63 LEU C C 63 179.293 179.293 178.184 1.109 25124 12895 1 19 . 1 1 63 63 LEU CA C 63 57.148 57.148 56.607 0.541 25124 12896 1 19 . 1 1 63 63 LEU CB C 63 40.053 40.053 41.894 -1.841 25124 12897 1 19 . 1 1 63 63 LEU H H 63 8.119 8.119 7.891 0.228 25124 12898 1 19 . 1 1 64 64 ALA N N 64 126.234 126.234 122.132 4.102 25124 12899 1 19 . 1 1 64 64 ALA HA H 64 4.112 4.112 4.069 0.043 25124 12900 1 19 . 1 1 64 64 ALA C C 64 181.223 181.223 178.781 2.442 25124 12901 1 19 . 1 1 64 64 ALA CA C 64 54.802 54.802 54.755 0.047 25124 12902 1 19 . 1 1 64 64 ALA CB C 64 18.133 18.133 18.061 0.073 25124 12903 1 19 . 1 1 64 64 ALA H H 64 8.303 8.303 7.695 0.608 25124 12904 1 19 . 1 1 65 65 LEU N N 65 120.067 120.067 118.196 1.871 25124 12905 1 19 . 1 1 65 65 LEU HA H 65 4.044 4.044 4.219 -0.175 25124 12906 1 19 . 1 1 65 65 LEU C C 65 177.548 177.548 178.269 -0.721 25124 12907 1 19 . 1 1 65 65 LEU CA C 65 58.197 58.197 57.242 0.955 25124 12908 1 19 . 1 1 65 65 LEU CB C 65 41.727 41.727 42.500 -0.773 25124 12909 1 19 . 1 1 65 65 LEU H H 65 8.398 8.398 7.866 0.532 25124 12910 1 19 . 1 1 66 66 LEU N N 66 120.890 120.890 119.583 1.307 25124 12911 1 19 . 1 1 66 66 LEU HA H 66 3.848 3.848 4.012 -0.164 25124 12912 1 19 . 1 1 66 66 LEU C C 66 177.230 177.230 178.343 -1.113 25124 12913 1 19 . 1 1 66 66 LEU CA C 66 58.736 58.736 57.288 1.448 25124 12914 1 19 . 1 1 66 66 LEU CB C 66 41.803 41.803 41.856 -0.053 25124 12915 1 19 . 1 1 66 66 LEU H H 66 8.203 8.203 7.563 0.640 25124 12916 1 19 . 1 1 67 67 LYS N N 67 116.919 116.919 118.300 -1.381 25124 12917 1 19 . 1 1 67 67 LYS HA H 67 4.004 4.004 3.944 0.060 25124 12918 1 19 . 1 1 67 67 LYS C C 67 179.452 179.452 178.602 0.850 25124 12919 1 19 . 1 1 67 67 LYS CA C 67 59.733 59.733 58.865 0.868 25124 12920 1 19 . 1 1 67 67 LYS CB C 67 32.415 32.415 32.091 0.324 25124 12921 1 19 . 1 1 67 67 LYS H H 67 7.667 7.667 8.129 -0.462 25124 12922 1 19 . 1 1 68 68 GLN N N 68 116.851 116.851 118.845 -1.994 25124 12923 1 19 . 1 1 68 68 GLN HA H 68 4.046 4.046 4.047 -0.001 25124 12924 1 19 . 1 1 68 68 GLN C C 68 179.319 179.319 178.215 1.104 25124 12925 1 19 . 1 1 68 68 GLN CA C 68 58.820 58.820 58.950 -0.130 25124 12926 1 19 . 1 1 68 68 GLN CB C 68 28.660 28.660 29.114 -0.454 25124 12927 1 19 . 1 1 68 68 GLN H H 68 7.677 7.677 7.461 0.216 25124 12928 1 19 . 1 1 69 69 ILE N N 69 120.670 120.670 115.946 4.724 25124 12929 1 19 . 1 1 69 69 ILE HA H 69 3.564 3.564 3.679 -0.115 25124 12930 1 19 . 1 1 69 69 ILE C C 69 177.786 177.786 178.417 -0.631 25124 12931 1 19 . 1 1 69 69 ILE CA C 69 65.381 65.381 64.139 1.241 25124 12932 1 19 . 1 1 69 69 ILE CB C 69 37.186 37.186 37.235 -0.049 25124 12933 1 19 . 1 1 69 69 ILE H H 69 8.918 8.918 7.497 1.421 25124 12934 1 19 . 1 1 70 70 LYS N N 70 118.002 118.002 119.379 -1.377 25124 12935 1 19 . 1 1 70 70 LYS HA H 70 3.936 3.936 4.025 -0.089 25124 12936 1 19 . 1 1 70 70 LYS C C 70 177.944 177.944 177.981 -0.037 25124 12937 1 19 . 1 1 70 70 LYS CA C 70 57.351 57.351 58.725 -1.374 25124 12938 1 19 . 1 1 70 70 LYS CB C 70 31.440 31.440 32.189 -0.749 25124 12939 1 19 . 1 1 70 70 LYS H H 70 8.592 8.592 7.535 1.057 25124 12940 1 19 . 1 1 71 71 GLN N N 71 114.891 114.891 115.281 -0.390 25124 12941 1 19 . 1 1 71 71 GLN HA H 71 4.063 4.063 4.209 -0.146 25124 12942 1 19 . 1 1 71 71 GLN C C 71 177.019 177.019 177.560 -0.541 25124 12943 1 19 . 1 1 71 71 GLN CA C 71 58.007 58.007 56.904 1.103 25124 12944 1 19 . 1 1 71 71 GLN CB C 71 29.168 29.168 29.377 -0.209 25124 12945 1 19 . 1 1 71 71 GLN H H 71 7.266 7.266 7.605 -0.339 25124 12946 1 19 . 1 1 72 72 ARG N N 72 116.364 116.364 119.219 -2.855 25124 12947 1 19 . 1 1 72 72 ARG HA H 72 4.130 4.130 4.089 0.041 25124 12948 1 19 . 1 1 72 72 ARG C C 72 175.803 175.803 176.264 -0.461 25124 12949 1 19 . 1 1 72 72 ARG CA C 72 57.174 57.174 57.704 -0.530 25124 12950 1 19 . 1 1 72 72 ARG CB C 72 32.638 32.638 31.295 1.343 25124 12951 1 19 . 1 1 72 72 ARG H H 72 7.254 7.254 8.290 -1.036 25124 12952 1 19 . 1 1 73 73 HIS N N 73 116.981 116.981 113.197 3.784 25124 12953 1 19 . 1 1 73 73 HIS HA H 73 4.994 4.994 4.975 0.019 25124 12954 1 19 . 1 1 73 73 HIS CA C 73 53.252 53.252 53.270 -0.018 25124 12955 1 19 . 1 1 73 73 HIS CB C 73 31.026 31.026 30.006 1.020 25124 12956 1 19 . 1 1 73 73 HIS H H 73 8.828 8.828 7.464 1.364 25124 12957 1 19 . 1 1 74 74 PRO HA H 74 4.435 4.435 4.390 0.045 25124 12958 1 19 . 1 1 74 74 PRO C C 74 178.156 178.156 177.127 1.029 25124 12959 1 19 . 1 1 74 74 PRO CA C 74 65.284 65.284 64.194 1.090 25124 12960 1 19 . 1 1 74 74 PRO CB C 74 32.130 32.130 31.919 0.211 25124 12961 1 19 . 1 1 75 75 MET N N 75 114.676 114.676 116.432 -1.756 25124 12962 1 19 . 1 1 75 75 MET HA H 75 4.587 4.587 4.322 0.265 25124 12963 1 19 . 1 1 75 75 MET C C 75 176.067 176.067 176.222 -0.155 25124 12964 1 19 . 1 1 75 75 MET CA C 75 54.304 54.304 56.514 -2.209 25124 12965 1 19 . 1 1 75 75 MET CB C 75 31.623 31.623 32.753 -1.130 25124 12966 1 19 . 1 1 75 75 MET H H 75 8.648 8.648 8.027 0.621 25124 12967 1 19 . 1 1 76 76 LEU N N 76 125.720 125.720 118.066 7.654 25124 12968 1 19 . 1 1 76 76 LEU HA H 76 4.293 4.293 4.490 -0.197 25124 12969 1 19 . 1 1 76 76 LEU CA C 76 53.472 53.472 52.163 1.309 25124 12970 1 19 . 1 1 76 76 LEU CB C 76 43.540 43.540 41.535 2.005 25124 12971 1 19 . 1 1 76 76 LEU H H 76 7.342 7.342 7.388 -0.046 25124 12972 1 19 . 1 1 77 77 PRO HA H 77 4.440 4.440 4.426 0.014 25124 12973 1 19 . 1 1 77 77 PRO C C 77 175.062 175.062 175.470 -0.408 25124 12974 1 19 . 1 1 77 77 PRO CA C 77 62.841 62.841 62.592 0.249 25124 12975 1 19 . 1 1 77 77 PRO CB C 77 31.903 31.903 32.159 -0.256 25124 12976 1 19 . 1 1 78 78 VAL N N 78 123.116 123.116 119.739 3.377 25124 12977 1 19 . 1 1 78 78 VAL HA H 78 5.093 5.093 4.344 0.749 25124 12978 1 19 . 1 1 78 78 VAL C C 78 175.776 175.776 174.486 1.290 25124 12979 1 19 . 1 1 78 78 VAL CA C 78 60.083 60.083 61.336 -1.253 25124 12980 1 19 . 1 1 78 78 VAL CB C 78 34.245 34.245 35.982 -1.737 25124 12981 1 19 . 1 1 78 78 VAL H H 78 8.369 8.369 8.421 -0.052 25124 12982 1 19 . 1 1 79 79 ILE N N 79 129.166 129.166 121.982 7.184 25124 12983 1 19 . 1 1 79 79 ILE HA H 79 4.499 4.499 4.727 -0.228 25124 12984 1 19 . 1 1 79 79 ILE C C 79 174.295 174.295 174.809 -0.514 25124 12985 1 19 . 1 1 79 79 ILE CA C 79 60.030 60.030 59.997 0.033 25124 12986 1 19 . 1 1 79 79 ILE CB C 79 40.222 40.222 41.613 -1.391 25124 12987 1 19 . 1 1 79 79 ILE H H 79 9.436 9.436 7.815 1.621 25124 12988 1 19 . 1 1 80 80 ILE N N 80 128.234 128.234 125.592 2.642 25124 12989 1 19 . 1 1 80 80 ILE HA H 80 5.253 5.253 4.334 0.919 25124 12990 1 19 . 1 1 80 80 ILE C C 80 173.449 173.449 174.528 -1.079 25124 12991 1 19 . 1 1 80 80 ILE CA C 80 56.265 56.265 60.054 -3.789 25124 12992 1 19 . 1 1 80 80 ILE CB C 80 38.176 38.176 37.907 0.269 25124 12993 1 19 . 1 1 80 80 ILE H H 80 7.920 7.920 8.265 -0.345 25124 12994 1 19 . 1 1 81 81 MET N N 81 124.079 124.079 127.928 -3.849 25124 12995 1 19 . 1 1 81 81 MET HA H 81 5.489 5.489 4.737 0.752 25124 12996 1 19 . 1 1 81 81 MET C C 81 173.820 173.820 173.751 0.069 25124 12997 1 19 . 1 1 81 81 MET CA C 81 52.889 52.889 54.852 -1.963 25124 12998 1 19 . 1 1 81 81 MET CB C 81 36.663 36.663 34.889 1.774 25124 12999 1 19 . 1 1 81 81 MET H H 81 9.028 9.028 8.183 0.845 25124 13000 1 19 . 1 1 82 82 THR N N 82 108.434 108.434 117.820 -9.386 25124 13001 1 19 . 1 1 82 82 THR HA H 82 5.134 5.134 4.520 0.614 25124 13002 1 19 . 1 1 82 82 THR C C 82 172.550 172.550 171.985 0.565 25124 13003 1 19 . 1 1 82 82 THR CA C 82 60.642 60.642 61.066 -0.424 25124 13004 1 19 . 1 1 82 82 THR CB C 82 68.843 68.843 70.546 -1.704 25124 13005 1 19 . 1 1 82 82 THR H H 82 7.098 7.098 8.127 -1.029 25124 13006 1 19 . 1 1 83 83 ALA N N 83 128.991 128.991 122.597 6.394 25124 13007 1 19 . 1 1 83 83 ALA HA H 83 4.678 4.678 4.803 -0.125 25124 13008 1 19 . 1 1 83 83 ALA C C 83 177.812 177.812 177.178 0.634 25124 13009 1 19 . 1 1 83 83 ALA CA C 83 52.457 52.457 51.062 1.395 25124 13010 1 19 . 1 1 83 83 ALA CB C 83 19.396 19.396 20.860 -1.464 25124 13011 1 19 . 1 1 83 83 ALA H H 83 8.590 8.590 8.262 0.328 25124 13012 1 19 . 1 1 84 84 HIS N N 84 121.904 121.904 113.846 8.058 25124 13013 1 19 . 1 1 84 84 HIS HA H 84 4.576 4.576 4.319 0.257 25124 13014 1 19 . 1 1 84 84 HIS C C 84 175.512 175.512 176.212 -0.700 25124 13015 1 19 . 1 1 84 84 HIS CA C 84 56.674 56.674 58.006 -1.332 25124 13016 1 19 . 1 1 84 84 HIS CB C 84 29.589 29.589 29.699 -0.110 25124 13017 1 19 . 1 1 84 84 HIS H H 84 8.865 8.865 8.782 0.083 25124 13018 1 19 . 1 1 85 85 SER N N 85 114.679 114.679 114.890 -0.211 25124 13019 1 19 . 1 1 85 85 SER HA H 85 4.303 4.303 3.953 0.350 25124 13020 1 19 . 1 1 85 85 SER C C 85 174.560 174.560 174.052 0.508 25124 13021 1 19 . 1 1 85 85 SER CA C 85 58.970 58.970 59.028 -0.058 25124 13022 1 19 . 1 1 85 85 SER CB C 85 62.829 62.829 62.999 -0.170 25124 13023 1 19 . 1 1 85 85 SER H H 85 8.016 8.016 7.503 0.513 25124 13024 1 19 . 1 1 86 86 ASP N N 86 122.325 122.325 120.675 1.650 25124 13025 1 19 . 1 1 86 86 ASP HA H 86 4.761 4.761 4.353 0.408 25124 13026 1 19 . 1 1 86 86 ASP C C 86 176.094 176.094 177.344 -1.250 25124 13027 1 19 . 1 1 86 86 ASP CA C 86 53.627 53.627 56.185 -2.558 25124 13028 1 19 . 1 1 86 86 ASP CB C 86 40.942 40.942 40.099 0.844 25124 13029 1 19 . 1 1 86 86 ASP H H 86 8.054 8.054 8.601 -0.547 25124 13030 1 19 . 1 1 87 87 LEU N N 87 122.041 122.041 120.168 1.873 25124 13031 1 19 . 1 1 87 87 LEU HA H 87 4.069 4.069 3.975 0.094 25124 13032 1 19 . 1 1 87 87 LEU C C 87 177.892 177.892 177.147 0.745 25124 13033 1 19 . 1 1 87 87 LEU CA C 87 57.182 57.182 57.295 -0.113 25124 13034 1 19 . 1 1 87 87 LEU CB C 87 42.015 42.015 41.834 0.180 25124 13035 1 19 . 1 1 87 87 LEU H H 87 8.005 8.005 7.530 0.475 25124 13036 1 19 . 1 1 88 88 ASP N N 88 118.050 118.050 120.127 -2.077 25124 13037 1 19 . 1 1 88 88 ASP HA H 88 4.370 4.370 4.201 0.169 25124 13038 1 19 . 1 1 88 88 ASP C C 88 178.103 178.103 177.634 0.469 25124 13039 1 19 . 1 1 88 88 ASP CA C 88 56.342 56.342 56.879 -0.537 25124 13040 1 19 . 1 1 88 88 ASP CB C 88 40.280 40.280 39.726 0.554 25124 13041 1 19 . 1 1 88 88 ASP H H 88 8.243 8.243 8.392 -0.149 25124 13042 1 19 . 1 1 89 89 ALA N N 89 122.780 122.780 120.883 1.897 25124 13043 1 19 . 1 1 89 89 ALA HA H 89 4.038 4.038 3.943 0.095 25124 13044 1 19 . 1 1 89 89 ALA C C 89 178.526 178.526 178.844 -0.318 25124 13045 1 19 . 1 1 89 89 ALA CA C 89 54.655 54.655 54.093 0.562 25124 13046 1 19 . 1 1 89 89 ALA CB C 89 18.809 18.809 18.552 0.257 25124 13047 1 19 . 1 1 89 89 ALA H H 89 7.890 7.890 7.644 0.246 25124 13048 1 19 . 1 1 90 90 ALA N N 90 120.040 120.040 120.809 -0.769 25124 13049 1 19 . 1 1 90 90 ALA HA H 90 3.254 3.254 3.611 -0.357 25124 13050 1 19 . 1 1 90 90 ALA C C 90 178.976 178.976 178.984 -0.008 25124 13051 1 19 . 1 1 90 90 ALA CA C 90 55.050 55.050 54.679 0.371 25124 13052 1 19 . 1 1 90 90 ALA CB C 90 17.725 17.725 18.166 -0.441 25124 13053 1 19 . 1 1 90 90 ALA H H 90 7.513 7.513 7.864 -0.351 25124 13054 1 19 . 1 1 91 91 VAL N N 91 116.635 116.635 117.353 -0.718 25124 13055 1 19 . 1 1 91 91 VAL HA H 91 3.637 3.637 3.719 -0.082 25124 13056 1 19 . 1 1 91 91 VAL C C 91 178.632 178.632 177.718 0.914 25124 13057 1 19 . 1 1 91 91 VAL CA C 91 65.971 65.971 65.988 -0.017 25124 13058 1 19 . 1 1 91 91 VAL CB C 91 31.623 31.623 31.718 -0.095 25124 13059 1 19 . 1 1 91 91 VAL H H 91 7.877 7.877 7.370 0.507 25124 13060 1 19 . 1 1 92 92 SER N N 92 115.439 115.439 115.137 0.302 25124 13061 1 19 . 1 1 92 92 SER HA H 92 4.215 4.215 4.062 0.153 25124 13062 1 19 . 1 1 92 92 SER C C 92 175.961 175.961 176.533 -0.572 25124 13063 1 19 . 1 1 92 92 SER CA C 92 61.401 61.401 61.323 0.078 25124 13064 1 19 . 1 1 92 92 SER CB C 92 62.966 62.966 63.031 -0.065 25124 13065 1 19 . 1 1 92 92 SER H H 92 7.912 7.912 7.575 0.337 25124 13066 1 19 . 1 1 93 93 ALA N N 93 122.647 122.647 123.591 -0.944 25124 13067 1 19 . 1 1 93 93 ALA HA H 93 3.786 3.786 4.072 -0.286 25124 13068 1 19 . 1 1 93 93 ALA C C 93 179.293 179.293 179.490 -0.197 25124 13069 1 19 . 1 1 93 93 ALA CA C 93 55.172 55.172 55.113 0.059 25124 13070 1 19 . 1 1 93 93 ALA CB C 93 17.161 17.161 17.814 -0.653 25124 13071 1 19 . 1 1 93 93 ALA H H 93 8.199 8.199 7.894 0.305 25124 13072 1 19 . 1 1 94 94 TYR N N 94 117.796 117.796 119.274 -1.478 25124 13073 1 19 . 1 1 94 94 TYR HA H 94 4.283 4.283 4.101 0.182 25124 13074 1 19 . 1 1 94 94 TYR C C 94 179.954 179.954 178.070 1.884 25124 13075 1 19 . 1 1 94 94 TYR CA C 94 61.216 61.216 60.558 0.658 25124 13076 1 19 . 1 1 94 94 TYR CB C 94 37.716 37.716 37.789 -0.073 25124 13077 1 19 . 1 1 94 94 TYR H H 94 8.065 8.065 7.405 0.660 25124 13078 1 19 . 1 1 95 95 GLN N N 95 120.057 120.057 116.165 3.892 25124 13079 1 19 . 1 1 95 95 GLN HA H 95 4.005 4.005 4.107 -0.102 25124 13080 1 19 . 1 1 95 95 GLN C C 95 177.680 177.680 177.900 -0.220 25124 13081 1 19 . 1 1 95 95 GLN CA C 95 58.471 58.471 57.995 0.476 25124 13082 1 19 . 1 1 95 95 GLN CB C 95 28.334 28.334 28.301 0.033 25124 13083 1 19 . 1 1 95 95 GLN H H 95 8.513 8.513 7.827 0.686 25124 13084 1 19 . 1 1 96 96 GLN N N 96 115.323 115.323 118.112 -2.789 25124 13085 1 19 . 1 1 96 96 GLN HA H 96 4.321 4.321 4.314 0.007 25124 13086 1 19 . 1 1 96 96 GLN C C 96 175.538 175.538 176.594 -1.056 25124 13087 1 19 . 1 1 96 96 GLN CA C 96 55.379 55.379 56.199 -0.820 25124 13088 1 19 . 1 1 96 96 GLN CB C 96 28.915 28.915 29.562 -0.647 25124 13089 1 19 . 1 1 96 96 GLN H H 96 7.774 7.774 7.582 0.192 25124 13090 1 19 . 1 1 97 97 GLY N N 97 104.173 104.173 105.473 -1.300 25124 13091 1 19 . 1 1 97 97 GLY C C 97 175.168 175.168 174.020 1.148 25124 13092 1 19 . 1 1 97 97 GLY CA C 97 45.491 45.491 44.647 0.844 25124 13093 1 19 . 1 1 97 97 GLY H H 97 7.576 7.576 7.758 -0.182 25124 13094 1 19 . 1 1 98 98 ALA N N 98 123.484 123.484 122.120 1.364 25124 13095 1 19 . 1 1 98 98 ALA HA H 98 4.266 4.266 4.227 0.039 25124 13096 1 19 . 1 1 98 98 ALA C C 98 176.067 176.067 176.610 -0.543 25124 13097 1 19 . 1 1 98 98 ALA CA C 98 53.008 53.008 53.055 -0.047 25124 13098 1 19 . 1 1 98 98 ALA CB C 98 18.556 18.556 19.645 -1.089 25124 13099 1 19 . 1 1 98 98 ALA H H 98 8.358 8.358 7.867 0.491 25124 13100 1 19 . 1 1 99 99 PHE N N 99 123.551 123.551 120.838 2.713 25124 13101 1 19 . 1 1 99 99 PHE HA H 99 4.259 4.259 4.692 -0.433 25124 13102 1 19 . 1 1 99 99 PHE C C 99 175.432 175.432 175.507 -0.075 25124 13103 1 19 . 1 1 99 99 PHE CA C 99 60.274 60.274 59.231 1.043 25124 13104 1 19 . 1 1 99 99 PHE CB C 99 40.375 40.375 41.481 -1.107 25124 13105 1 19 . 1 1 99 99 PHE H H 99 9.477 9.477 8.278 1.199 25124 13106 1 19 . 1 1 100 100 ASP N N 100 110.678 110.678 115.463 -4.785 25124 13107 1 19 . 1 1 100 100 ASP HA H 100 4.547 4.547 4.874 -0.327 25124 13108 1 19 . 1 1 100 100 ASP C C 100 173.053 173.053 173.576 -0.523 25124 13109 1 19 . 1 1 100 100 ASP CA C 100 52.527 52.527 53.920 -1.393 25124 13110 1 19 . 1 1 100 100 ASP CB C 100 44.789 44.789 43.212 1.577 25124 13111 1 19 . 1 1 100 100 ASP H H 100 7.683 7.683 7.876 -0.193 25124 13112 1 19 . 1 1 101 101 TYR N N 101 122.174 122.174 121.585 0.589 25124 13113 1 19 . 1 1 101 101 TYR HA H 101 5.425 5.425 5.240 0.185 25124 13114 1 19 . 1 1 101 101 TYR C C 101 172.550 172.550 174.451 -1.901 25124 13115 1 19 . 1 1 101 101 TYR CA C 101 55.865 55.865 56.384 -0.519 25124 13116 1 19 . 1 1 101 101 TYR CB C 101 41.760 41.760 39.380 2.380 25124 13117 1 19 . 1 1 101 101 TYR H H 101 9.874 9.874 8.659 1.215 25124 13118 1 19 . 1 1 102 102 LEU N N 102 129.337 129.337 130.752 -1.415 25124 13119 1 19 . 1 1 102 102 LEU HA H 102 4.677 4.677 4.616 0.061 25124 13120 1 19 . 1 1 102 102 LEU CA C 102 50.418 50.418 51.025 -0.607 25124 13121 1 19 . 1 1 102 102 LEU CB C 102 45.066 45.066 42.752 2.314 25124 13122 1 19 . 1 1 102 102 LEU H H 102 8.974 8.974 7.885 1.089 25124 13123 1 19 . 1 1 103 103 PRO HA H 103 4.552 4.552 4.362 0.190 25124 13124 1 19 . 1 1 103 103 PRO C C 103 176.067 176.067 175.501 0.566 25124 13125 1 19 . 1 1 103 103 PRO CA C 103 61.951 61.951 62.349 -0.397 25124 13126 1 19 . 1 1 103 103 PRO CB C 103 31.829 31.829 32.362 -0.533 25124 13127 1 19 . 1 1 104 104 LYS N N 104 118.403 118.403 119.780 -1.377 25124 13128 1 19 . 1 1 104 104 LYS HA H 104 4.459 4.459 4.981 -0.522 25124 13129 1 19 . 1 1 104 104 LYS CA C 104 53.204 53.204 53.057 0.147 25124 13130 1 19 . 1 1 104 104 LYS CB C 104 34.500 34.500 32.264 2.236 25124 13131 1 19 . 1 1 104 104 LYS H H 104 8.013 8.013 8.198 -0.185 25124 13132 1 19 . 1 1 105 105 PRO HA H 105 4.258 4.258 4.471 -0.213 25124 13133 1 19 . 1 1 105 105 PRO C C 105 174.930 174.930 175.999 -1.069 25124 13134 1 19 . 1 1 105 105 PRO CA C 105 62.213 62.213 63.089 -0.876 25124 13135 1 19 . 1 1 105 105 PRO CB C 105 34.151 34.151 31.945 2.206 25124 13136 1 19 . 1 1 106 106 PHE N N 106 116.796 116.796 120.439 -3.643 25124 13137 1 19 . 1 1 106 106 PHE HA H 106 5.169 5.169 4.751 0.418 25124 13138 1 19 . 1 1 106 106 PHE C C 106 175.194 175.194 174.474 0.720 25124 13139 1 19 . 1 1 106 106 PHE CA C 106 53.244 53.244 55.680 -2.436 25124 13140 1 19 . 1 1 106 106 PHE CB C 106 40.477 40.477 40.553 -0.076 25124 13141 1 19 . 1 1 106 106 PHE H H 106 7.399 7.399 7.490 -0.091 25124 13142 1 19 . 1 1 107 107 ASP N N 107 122.212 122.212 122.525 -0.313 25124 13143 1 19 . 1 1 107 107 ASP HA H 107 4.823 4.823 4.924 -0.101 25124 13144 1 19 . 1 1 107 107 ASP C C 107 177.812 177.812 177.705 0.107 25124 13145 1 19 . 1 1 107 107 ASP CA C 107 53.392 53.392 52.827 0.565 25124 13146 1 19 . 1 1 107 107 ASP CB C 107 42.455 42.455 41.426 1.029 25124 13147 1 19 . 1 1 107 107 ASP H H 107 9.047 9.047 8.611 0.436 25124 13148 1 19 . 1 1 108 108 ILE N N 108 127.963 127.963 122.604 5.359 25124 13149 1 19 . 1 1 108 108 ILE HA H 108 3.949 3.949 4.075 -0.126 25124 13150 1 19 . 1 1 108 108 ILE C C 108 176.226 176.226 177.231 -1.005 25124 13151 1 19 . 1 1 108 108 ILE CA C 108 63.105 63.105 64.022 -0.917 25124 13152 1 19 . 1 1 108 108 ILE CB C 108 37.665 37.665 37.482 0.183 25124 13153 1 19 . 1 1 108 108 ILE H H 108 8.898 8.898 8.613 0.285 25124 13154 1 19 . 1 1 109 109 ASP N N 109 119.804 119.804 121.071 -1.267 25124 13155 1 19 . 1 1 109 109 ASP HA H 109 4.393 4.393 4.324 0.069 25124 13156 1 19 . 1 1 109 109 ASP C C 109 179.848 179.848 178.745 1.103 25124 13157 1 19 . 1 1 109 109 ASP CA C 109 57.483 57.483 57.738 -0.255 25124 13158 1 19 . 1 1 109 109 ASP CB C 109 39.986 39.986 40.653 -0.667 25124 13159 1 19 . 1 1 109 109 ASP H H 109 8.098 8.098 8.072 0.026 25124 13160 1 19 . 1 1 110 110 GLU N N 110 121.667 121.667 118.819 2.848 25124 13161 1 19 . 1 1 110 110 GLU HA H 110 4.085 4.085 4.317 -0.232 25124 13162 1 19 . 1 1 110 110 GLU C C 110 178.976 178.976 178.190 0.786 25124 13163 1 19 . 1 1 110 110 GLU CA C 110 58.790 58.790 58.285 0.505 25124 13164 1 19 . 1 1 110 110 GLU CB C 110 29.330 29.330 29.990 -0.660 25124 13165 1 19 . 1 1 110 110 GLU H H 110 8.059 8.059 8.028 0.031 25124 13166 1 19 . 1 1 111 111 ALA N N 111 122.208 122.208 122.929 -0.721 25124 13167 1 19 . 1 1 111 111 ALA HA H 111 3.758 3.758 4.156 -0.398 25124 13168 1 19 . 1 1 111 111 ALA C C 111 178.605 178.605 179.350 -0.745 25124 13169 1 19 . 1 1 111 111 ALA CA C 111 55.320 55.320 54.928 0.392 25124 13170 1 19 . 1 1 111 111 ALA CB C 111 18.174 18.174 18.498 -0.324 25124 13171 1 19 . 1 1 111 111 ALA H H 111 7.903 7.903 7.625 0.278 25124 13172 1 19 . 1 1 112 112 VAL N N 112 116.429 116.429 118.789 -2.360 25124 13173 1 19 . 1 1 112 112 VAL HA H 112 3.194 3.194 3.571 -0.378 25124 13174 1 19 . 1 1 112 112 VAL C C 112 177.230 177.230 177.654 -0.424 25124 13175 1 19 . 1 1 112 112 VAL CA C 112 67.154 67.154 67.105 0.049 25124 13176 1 19 . 1 1 112 112 VAL CB C 112 31.538 31.538 31.603 -0.065 25124 13177 1 19 . 1 1 112 112 VAL H H 112 8.032 8.032 8.614 -0.582 25124 13178 1 19 . 1 1 113 113 ALA N N 113 120.198 120.198 119.526 0.672 25124 13179 1 19 . 1 1 113 113 ALA HA H 113 4.159 4.159 4.246 -0.087 25124 13180 1 19 . 1 1 113 113 ALA C C 113 180.589 180.589 178.870 1.719 25124 13181 1 19 . 1 1 113 113 ALA CA C 113 54.902 54.902 53.912 0.990 25124 13182 1 19 . 1 1 113 113 ALA CB C 113 17.980 17.980 18.882 -0.902 25124 13183 1 19 . 1 1 113 113 ALA H H 113 7.723 7.723 7.970 -0.247 25124 13184 1 19 . 1 1 114 114 LEU N N 114 120.742 120.742 120.120 0.622 25124 13185 1 19 . 1 1 114 114 LEU HA H 114 4.102 4.102 4.274 -0.172 25124 13186 1 19 . 1 1 114 114 LEU C C 114 178.605 178.605 178.270 0.335 25124 13187 1 19 . 1 1 114 114 LEU CA C 114 58.181 58.181 57.360 0.821 25124 13188 1 19 . 1 1 114 114 LEU CB C 114 42.032 42.032 42.177 -0.145 25124 13189 1 19 . 1 1 114 114 LEU H H 114 7.928 7.928 7.346 0.582 25124 13190 1 19 . 1 1 115 115 VAL N N 115 119.478 119.478 117.726 1.752 25124 13191 1 19 . 1 1 115 115 VAL HA H 115 3.250 3.250 3.543 -0.293 25124 13192 1 19 . 1 1 115 115 VAL C C 115 177.548 177.548 177.966 -0.418 25124 13193 1 19 . 1 1 115 115 VAL CA C 115 67.168 67.168 67.031 0.137 25124 13194 1 19 . 1 1 115 115 VAL CB C 115 30.760 30.760 31.259 -0.499 25124 13195 1 19 . 1 1 115 115 VAL H H 115 7.846 7.846 8.497 -0.651 25124 13196 1 19 . 1 1 116 116 GLU N N 116 117.570 117.570 117.316 0.254 25124 13197 1 19 . 1 1 116 116 GLU HA H 116 3.809 3.809 4.157 -0.348 25124 13198 1 19 . 1 1 116 116 GLU C C 116 179.557 179.557 178.609 0.948 25124 13199 1 19 . 1 1 116 116 GLU CA C 116 59.974 59.974 58.288 1.686 25124 13200 1 19 . 1 1 116 116 GLU CB C 116 29.084 29.084 28.928 0.155 25124 13201 1 19 . 1 1 116 116 GLU H H 116 8.462 8.462 7.871 0.591 25124 13202 1 19 . 1 1 117 117 ARG N N 117 120.263 120.263 120.610 -0.347 25124 13203 1 19 . 1 1 117 117 ARG HA H 117 4.109 4.109 4.050 0.059 25124 13204 1 19 . 1 1 117 117 ARG C C 117 178.500 178.500 178.491 0.009 25124 13205 1 19 . 1 1 117 117 ARG CA C 117 59.411 59.411 59.682 -0.272 25124 13206 1 19 . 1 1 117 117 ARG CB C 117 30.414 30.414 30.238 0.176 25124 13207 1 19 . 1 1 117 117 ARG H H 117 8.090 8.090 7.631 0.459 25124 13208 1 19 . 1 1 118 118 ALA N N 118 122.157 122.157 119.828 2.329 25124 13209 1 19 . 1 1 118 118 ALA HA H 118 3.467 3.467 4.257 -0.790 25124 13210 1 19 . 1 1 118 118 ALA C C 118 178.632 178.632 179.136 -0.504 25124 13211 1 19 . 1 1 118 118 ALA CA C 118 54.739 54.739 54.107 0.632 25124 13212 1 19 . 1 1 118 118 ALA CB C 118 18.280 18.280 18.156 0.124 25124 13213 1 19 . 1 1 118 118 ALA H H 118 8.005 8.005 7.291 0.714 25124 13214 1 19 . 1 1 119 119 ILE N N 119 115.429 115.429 119.647 -4.218 25124 13215 1 19 . 1 1 119 119 ILE HA H 119 3.706 3.706 3.691 0.015 25124 13216 1 19 . 1 1 119 119 ILE C C 119 177.442 177.442 178.790 -1.348 25124 13217 1 19 . 1 1 119 119 ILE CA C 119 63.910 63.910 65.150 -1.240 25124 13218 1 19 . 1 1 119 119 ILE CB C 119 37.939 37.939 37.816 0.122 25124 13219 1 19 . 1 1 119 119 ILE H H 119 7.788 7.788 7.398 0.390 25124 13220 1 19 . 1 1 120 120 SER N N 120 114.902 114.902 115.497 -0.595 25124 13221 1 19 . 1 1 120 120 SER HA H 120 4.285 4.285 4.123 0.162 25124 13222 1 19 . 1 1 120 120 SER C C 120 175.142 175.142 176.660 -1.518 25124 13223 1 19 . 1 1 120 120 SER CA C 120 59.871 59.871 61.825 -1.954 25124 13224 1 19 . 1 1 120 120 SER CB C 120 63.522 63.522 62.825 0.697 25124 13225 1 19 . 1 1 120 120 SER H H 120 7.881 7.881 8.686 -0.805 25124 13226 1 19 . 1 1 121 121 HIS N N 121 119.927 119.927 120.691 -0.764 25124 13227 1 19 . 1 1 121 121 HIS HA H 121 4.439 4.439 4.200 0.239 25124 13228 1 19 . 1 1 121 121 HIS C C 121 174.957 174.957 175.347 -0.390 25124 13229 1 19 . 1 1 121 121 HIS CA C 121 57.362 57.362 58.452 -1.090 25124 13230 1 19 . 1 1 121 121 HIS CB C 121 29.496 29.496 29.690 -0.194 25124 13231 1 19 . 1 1 121 121 HIS H H 121 7.960 7.960 7.594 0.366 25124 13232 1 19 . 1 1 122 122 TYR N N 122 118.745 118.745 118.007 0.738 25124 13233 1 19 . 1 1 122 122 TYR HA H 122 4.455 4.455 4.705 -0.250 25124 13234 1 19 . 1 1 122 122 TYR C C 122 175.353 175.353 174.868 0.485 25124 13235 1 19 . 1 1 122 122 TYR CA C 122 58.528 58.528 56.790 1.738 25124 13236 1 19 . 1 1 122 122 TYR CB C 122 38.726 38.726 37.857 0.869 25124 13237 1 19 . 1 1 122 122 TYR H H 122 7.776 7.776 7.986 -0.210 25124 13238 1 19 . 1 1 123 123 GLN N N 123 121.424 121.424 119.369 2.055 25124 13239 1 19 . 1 1 123 123 GLN HA H 123 4.294 4.294 4.222 0.072 25124 13240 1 19 . 1 1 123 123 GLN C C 123 174.560 174.560 174.972 -0.412 25124 13241 1 19 . 1 1 123 123 GLN CA C 123 55.658 55.658 56.006 -0.348 25124 13242 1 19 . 1 1 123 123 GLN CB C 123 29.877 29.877 29.468 0.409 25124 13243 1 19 . 1 1 123 123 GLN H H 123 7.904 7.904 7.927 -0.023 25124 13244 1 20 . 1 1 2 2 GLN HA H 2 4.453 4.453 4.575 -0.122 25124 13245 1 20 . 1 1 2 2 GLN C C 2 174.930 174.930 173.580 1.350 25124 13246 1 20 . 1 1 2 2 GLN CA C 2 55.627 55.627 56.479 -0.852 25124 13247 1 20 . 1 1 2 2 GLN CB C 2 29.312 29.312 30.483 -1.171 25124 13248 1 20 . 1 1 3 3 ARG N N 3 121.349 121.349 123.544 -2.195 25124 13249 1 20 . 1 1 3 3 ARG HA H 3 4.390 4.390 4.616 -0.226 25124 13250 1 20 . 1 1 3 3 ARG C C 3 175.723 175.723 173.850 1.873 25124 13251 1 20 . 1 1 3 3 ARG CA C 3 56.041 56.041 56.346 -0.305 25124 13252 1 20 . 1 1 3 3 ARG CB C 3 31.395 31.395 32.251 -0.856 25124 13253 1 20 . 1 1 3 3 ARG H H 3 8.451 8.451 8.350 0.101 25124 13254 1 20 . 1 1 4 4 GLY N N 4 107.889 107.889 107.664 0.225 25124 13255 1 20 . 1 1 4 4 GLY C C 4 171.122 171.122 172.711 -1.589 25124 13256 1 20 . 1 1 4 4 GLY CA C 4 45.333 45.333 44.733 0.600 25124 13257 1 20 . 1 1 4 4 GLY H H 4 8.037 8.037 8.316 -0.279 25124 13258 1 20 . 1 1 5 5 ILE N N 5 122.674 122.674 121.107 1.567 25124 13259 1 20 . 1 1 5 5 ILE HA H 5 4.731 4.731 3.973 0.758 25124 13260 1 20 . 1 1 5 5 ILE C C 5 175.459 175.459 175.344 0.115 25124 13261 1 20 . 1 1 5 5 ILE CA C 5 60.614 60.614 62.791 -2.178 25124 13262 1 20 . 1 1 5 5 ILE CB C 5 39.535 39.535 38.466 1.069 25124 13263 1 20 . 1 1 5 5 ILE H H 5 9.605 9.605 8.196 1.409 25124 13264 1 20 . 1 1 6 6 VAL N N 6 127.532 127.532 126.604 0.928 25124 13265 1 20 . 1 1 6 6 VAL HA H 6 4.892 4.892 4.334 0.558 25124 13266 1 20 . 1 1 6 6 VAL C C 6 174.110 174.110 174.466 -0.356 25124 13267 1 20 . 1 1 6 6 VAL CA C 6 59.255 59.255 61.467 -2.212 25124 13268 1 20 . 1 1 6 6 VAL CB C 6 34.530 34.530 33.856 0.674 25124 13269 1 20 . 1 1 6 6 VAL H H 6 9.135 9.135 8.137 0.998 25124 13270 1 20 . 1 1 7 7 TRP N N 7 127.409 127.409 127.968 -0.559 25124 13271 1 20 . 1 1 7 7 TRP HA H 7 6.447 6.447 5.043 1.404 25124 13272 1 20 . 1 1 7 7 TRP C C 7 175.089 175.089 175.177 -0.088 25124 13273 1 20 . 1 1 7 7 TRP CA C 7 52.797 52.797 53.984 -1.187 25124 13274 1 20 . 1 1 7 7 TRP CB C 7 33.255 33.255 30.734 2.521 25124 13275 1 20 . 1 1 7 7 TRP H H 7 8.544 8.544 8.108 0.436 25124 13276 1 20 . 1 1 8 8 VAL N N 8 122.270 122.270 122.958 -0.688 25124 13277 1 20 . 1 1 8 8 VAL HA H 8 5.135 5.135 4.478 0.657 25124 13278 1 20 . 1 1 8 8 VAL C C 8 173.820 173.820 173.832 -0.012 25124 13279 1 20 . 1 1 8 8 VAL CA C 8 60.457 60.457 61.438 -0.981 25124 13280 1 20 . 1 1 8 8 VAL CB C 8 35.893 35.893 34.210 1.683 25124 13281 1 20 . 1 1 8 8 VAL H H 8 8.643 8.643 8.374 0.269 25124 13282 1 20 . 1 1 9 9 VAL N N 9 126.806 126.806 128.398 -1.592 25124 13283 1 20 . 1 1 9 9 VAL HA H 9 5.192 5.192 4.238 0.954 25124 13284 1 20 . 1 1 9 9 VAL C C 9 172.550 172.550 173.845 -1.295 25124 13285 1 20 . 1 1 9 9 VAL CA C 9 58.384 58.384 61.919 -3.534 25124 13286 1 20 . 1 1 9 9 VAL CB C 9 34.135 34.135 32.284 1.851 25124 13287 1 20 . 1 1 9 9 VAL H H 9 9.113 9.113 8.561 0.552 25124 13288 1 20 . 1 1 10 10 ASP N N 10 125.011 125.011 125.693 -0.682 25124 13289 1 20 . 1 1 10 10 ASP HA H 10 4.554 4.554 4.753 -0.199 25124 13290 1 20 . 1 1 10 10 ASP C C 10 174.877 174.877 174.032 0.845 25124 13291 1 20 . 1 1 10 10 ASP CA C 10 55.066 55.066 53.126 1.940 25124 13292 1 20 . 1 1 10 10 ASP CB C 10 44.131 44.131 43.591 0.540 25124 13293 1 20 . 1 1 10 10 ASP H H 10 7.881 7.881 7.980 -0.099 25124 13294 1 20 . 1 1 11 11 ASP N N 11 124.048 124.048 120.780 3.268 25124 13295 1 20 . 1 1 11 11 ASP HA H 11 4.613 4.613 4.838 -0.225 25124 13296 1 20 . 1 1 11 11 ASP C C 11 175.089 175.089 174.376 0.713 25124 13297 1 20 . 1 1 11 11 ASP CA C 11 55.346 55.346 53.772 1.574 25124 13298 1 20 . 1 1 11 11 ASP CB C 11 39.583 39.583 40.684 -1.101 25124 13299 1 20 . 1 1 11 11 ASP H H 11 9.166 9.166 8.525 0.641 25124 13300 1 20 . 1 1 12 12 ASP N N 12 125.165 125.165 122.630 2.535 25124 13301 1 20 . 1 1 12 12 ASP HA H 12 4.757 4.757 4.834 -0.077 25124 13302 1 20 . 1 1 12 12 ASP C C 12 176.993 176.993 176.021 0.972 25124 13303 1 20 . 1 1 12 12 ASP CA C 12 53.112 53.112 54.233 -1.121 25124 13304 1 20 . 1 1 12 12 ASP CB C 12 41.072 41.072 43.746 -2.674 25124 13305 1 20 . 1 1 12 12 ASP H H 12 10.290 10.290 7.873 2.417 25124 13306 1 20 . 1 1 13 13 SER N N 13 123.818 123.818 120.085 3.733 25124 13307 1 20 . 1 1 13 13 SER HA H 13 3.719 3.719 4.159 -0.440 25124 13308 1 20 . 1 1 13 13 SER C C 13 176.146 176.146 175.912 0.234 25124 13309 1 20 . 1 1 13 13 SER CA C 13 61.341 61.341 61.214 0.127 25124 13310 1 20 . 1 1 13 13 SER CB C 13 62.638 62.638 63.431 -0.793 25124 13311 1 20 . 1 1 13 13 SER H H 13 8.993 8.993 8.844 0.149 25124 13312 1 20 . 1 1 14 14 SER N N 14 118.714 118.714 117.934 0.780 25124 13313 1 20 . 1 1 14 14 SER HA H 14 4.322 4.322 4.327 -0.005 25124 13314 1 20 . 1 1 14 14 SER C C 14 176.411 176.411 176.332 0.079 25124 13315 1 20 . 1 1 14 14 SER CA C 14 61.717 61.717 62.254 -0.537 25124 13316 1 20 . 1 1 14 14 SER CB C 14 62.554 62.554 62.765 -0.211 25124 13317 1 20 . 1 1 14 14 SER H H 14 8.499 8.499 8.310 0.189 25124 13318 1 20 . 1 1 15 15 ILE N N 15 122.822 122.822 120.402 2.420 25124 13319 1 20 . 1 1 15 15 ILE HA H 15 3.972 3.972 3.770 0.202 25124 13320 1 20 . 1 1 15 15 ILE C C 15 177.786 177.786 178.431 -0.645 25124 13321 1 20 . 1 1 15 15 ILE CA C 15 60.784 60.784 63.133 -2.349 25124 13322 1 20 . 1 1 15 15 ILE CB C 15 36.016 36.016 36.371 -0.355 25124 13323 1 20 . 1 1 15 15 ILE H H 15 7.011 7.011 8.474 -1.463 25124 13324 1 20 . 1 1 16 16 ARG N N 16 116.580 116.580 119.984 -3.404 25124 13325 1 20 . 1 1 16 16 ARG HA H 16 3.711 3.711 4.131 -0.420 25124 13326 1 20 . 1 1 16 16 ARG C C 16 177.336 177.336 178.276 -0.940 25124 13327 1 20 . 1 1 16 16 ARG CA C 16 61.632 61.632 59.976 1.656 25124 13328 1 20 . 1 1 16 16 ARG CB C 16 30.520 30.520 30.540 -0.020 25124 13329 1 20 . 1 1 16 16 ARG H H 16 7.370 7.370 7.949 -0.579 25124 13330 1 20 . 1 1 17 17 TRP N N 17 116.893 116.893 122.450 -5.557 25124 13331 1 20 . 1 1 17 17 TRP HA H 17 4.481 4.481 4.356 0.125 25124 13332 1 20 . 1 1 17 17 TRP C C 17 178.394 178.394 177.886 0.508 25124 13333 1 20 . 1 1 17 17 TRP CA C 17 60.482 60.482 61.623 -1.141 25124 13334 1 20 . 1 1 17 17 TRP CB C 17 29.372 29.372 29.317 0.055 25124 13335 1 20 . 1 1 17 17 TRP H H 17 8.020 8.020 8.360 -0.340 25124 13336 1 20 . 1 1 18 18 VAL N N 18 116.799 116.799 116.584 0.215 25124 13337 1 20 . 1 1 18 18 VAL HA H 18 3.662 3.662 2.689 0.973 25124 13338 1 20 . 1 1 18 18 VAL C C 18 179.161 179.161 177.856 1.305 25124 13339 1 20 . 1 1 18 18 VAL CA C 18 65.858 65.858 66.007 -0.149 25124 13340 1 20 . 1 1 18 18 VAL CB C 18 31.792 31.792 30.942 0.850 25124 13341 1 20 . 1 1 18 18 VAL H H 18 8.085 8.085 7.984 0.101 25124 13342 1 20 . 1 1 19 19 LEU N N 19 119.595 119.595 120.117 -0.522 25124 13343 1 20 . 1 1 19 19 LEU HA H 19 4.083 4.083 3.849 0.234 25124 13344 1 20 . 1 1 19 19 LEU C C 19 177.759 177.759 178.721 -0.962 25124 13345 1 20 . 1 1 19 19 LEU CA C 19 57.971 57.971 57.802 0.169 25124 13346 1 20 . 1 1 19 19 LEU CB C 19 41.863 41.863 41.642 0.221 25124 13347 1 20 . 1 1 19 19 LEU H H 19 8.035 8.035 7.224 0.811 25124 13348 1 20 . 1 1 20 20 GLU N N 20 120.318 120.318 120.214 0.104 25124 13349 1 20 . 1 1 20 20 GLU HA H 20 4.007 4.007 3.865 0.142 25124 13350 1 20 . 1 1 20 20 GLU C C 20 178.500 178.500 179.169 -0.669 25124 13351 1 20 . 1 1 20 20 GLU CA C 20 60.567 60.567 59.535 1.032 25124 13352 1 20 . 1 1 20 20 GLU CB C 20 29.073 29.073 29.467 -0.394 25124 13353 1 20 . 1 1 20 20 GLU H H 20 8.417 8.417 8.397 0.020 25124 13354 1 20 . 1 1 21 21 ARG N N 21 115.981 115.981 118.174 -2.193 25124 13355 1 20 . 1 1 21 21 ARG HA H 21 3.898 3.898 3.945 -0.047 25124 13356 1 20 . 1 1 21 21 ARG C C 21 179.769 179.769 177.789 1.980 25124 13357 1 20 . 1 1 21 21 ARG CA C 21 58.491 58.491 58.498 -0.007 25124 13358 1 20 . 1 1 21 21 ARG CB C 21 29.966 29.966 29.959 0.007 25124 13359 1 20 . 1 1 21 21 ARG H H 21 7.579 7.579 8.286 -0.707 25124 13360 1 20 . 1 1 22 22 ALA N N 22 122.267 122.267 121.739 0.528 25124 13361 1 20 . 1 1 22 22 ALA HA H 22 4.110 4.110 4.172 -0.062 25124 13362 1 20 . 1 1 22 22 ALA C C 22 180.456 180.456 179.552 0.904 25124 13363 1 20 . 1 1 22 22 ALA CA C 22 54.643 54.643 54.493 0.150 25124 13364 1 20 . 1 1 22 22 ALA CB C 22 19.225 19.225 18.668 0.557 25124 13365 1 20 . 1 1 22 22 ALA H H 22 7.933 7.933 7.565 0.368 25124 13366 1 20 . 1 1 23 23 LEU N N 23 118.139 118.139 120.057 -1.918 25124 13367 1 20 . 1 1 23 23 LEU HA H 23 4.005 4.005 3.947 0.058 25124 13368 1 20 . 1 1 23 23 LEU C C 23 178.843 178.843 179.139 -0.296 25124 13369 1 20 . 1 1 23 23 LEU CA C 23 57.765 57.765 58.068 -0.303 25124 13370 1 20 . 1 1 23 23 LEU CB C 23 39.919 39.919 41.392 -1.473 25124 13371 1 20 . 1 1 23 23 LEU H H 23 8.855 8.855 8.727 0.128 25124 13372 1 20 . 1 1 24 24 ALA N N 24 122.164 122.164 120.342 1.822 25124 13373 1 20 . 1 1 24 24 ALA HA H 24 4.665 4.665 4.064 0.601 25124 13374 1 20 . 1 1 24 24 ALA C C 24 183.206 183.206 179.662 3.544 25124 13375 1 20 . 1 1 24 24 ALA CA C 24 54.812 54.812 54.604 0.208 25124 13376 1 20 . 1 1 24 24 ALA CB C 24 17.820 17.820 18.304 -0.484 25124 13377 1 20 . 1 1 24 24 ALA H H 24 8.238 8.238 8.161 0.077 25124 13378 1 20 . 1 1 25 25 GLY N N 25 106.903 106.903 105.999 0.904 25124 13379 1 20 . 1 1 25 25 GLY C C 25 174.375 174.375 175.356 -0.981 25124 13380 1 20 . 1 1 25 25 GLY CA C 25 46.550 46.550 45.358 1.192 25124 13381 1 20 . 1 1 25 25 GLY H H 25 7.907 7.907 7.581 0.326 25124 13382 1 20 . 1 1 26 26 ALA N N 26 121.832 121.832 122.381 -0.549 25124 13383 1 20 . 1 1 26 26 ALA HA H 26 4.505 4.505 4.227 0.278 25124 13384 1 20 . 1 1 26 26 ALA CA C 26 51.585 51.585 52.701 -1.116 25124 13385 1 20 . 1 1 26 26 ALA CB C 26 18.799 18.799 19.629 -0.830 25124 13386 1 20 . 1 1 26 26 ALA H H 26 7.316 7.316 7.987 -0.671 25124 13387 1 20 . 1 1 27 27 GLY N N 27 106.146 106.146 105.276 0.870 25124 13388 1 20 . 1 1 27 27 GLY C C 27 174.057 174.057 174.469 -0.412 25124 13389 1 20 . 1 1 27 27 GLY CA C 27 45.333 45.333 44.757 0.576 25124 13390 1 20 . 1 1 27 27 GLY H H 27 7.868 7.868 8.244 -0.376 25124 13391 1 20 . 1 1 28 28 LEU N N 28 120.273 120.273 121.453 -1.180 25124 13392 1 20 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.309 0.266 25124 13393 1 20 . 1 1 28 28 LEU C C 28 175.988 175.988 177.022 -1.034 25124 13394 1 20 . 1 1 28 28 LEU CA C 28 53.881 53.881 54.359 -0.478 25124 13395 1 20 . 1 1 28 28 LEU CB C 28 42.540 42.540 41.958 0.582 25124 13396 1 20 . 1 1 28 28 LEU H H 28 7.659 7.659 7.639 0.020 25124 13397 1 20 . 1 1 29 29 THR N N 29 118.173 118.173 118.510 -0.337 25124 13398 1 20 . 1 1 29 29 THR HA H 29 4.346 4.346 4.166 0.180 25124 13399 1 20 . 1 1 29 29 THR C C 29 173.344 173.344 173.547 -0.203 25124 13400 1 20 . 1 1 29 29 THR CA C 29 62.598 62.598 63.801 -1.203 25124 13401 1 20 . 1 1 29 29 THR CB C 29 69.423 69.423 68.885 0.538 25124 13402 1 20 . 1 1 29 29 THR H H 29 8.562 8.562 8.154 0.408 25124 13403 1 20 . 1 1 30 30 CYS N N 30 128.450 128.450 127.352 1.098 25124 13404 1 20 . 1 1 30 30 CYS HA H 30 6.012 6.012 4.564 1.448 25124 13405 1 20 . 1 1 30 30 CYS C C 30 173.978 173.978 174.073 -0.095 25124 13406 1 20 . 1 1 30 30 CYS CA C 30 56.424 56.424 57.804 -1.380 25124 13407 1 20 . 1 1 30 30 CYS CB C 30 29.615 29.615 28.754 0.861 25124 13408 1 20 . 1 1 30 30 CYS H H 30 9.035 9.035 8.655 0.380 25124 13409 1 20 . 1 1 31 31 THR N N 31 126.377 126.377 124.751 1.626 25124 13410 1 20 . 1 1 31 31 THR HA H 31 4.442 4.442 4.472 -0.030 25124 13411 1 20 . 1 1 31 31 THR C C 31 172.683 172.683 172.682 0.001 25124 13412 1 20 . 1 1 31 31 THR CA C 31 61.956 61.956 61.424 0.532 25124 13413 1 20 . 1 1 31 31 THR CB C 31 70.624 70.624 71.233 -0.609 25124 13414 1 20 . 1 1 31 31 THR H H 31 8.510 8.510 8.310 0.200 25124 13415 1 20 . 1 1 32 32 THR N N 32 115.988 115.988 114.575 1.413 25124 13416 1 20 . 1 1 32 32 THR HA H 32 5.454 5.454 4.803 0.651 25124 13417 1 20 . 1 1 32 32 THR C C 32 172.259 172.259 172.123 0.136 25124 13418 1 20 . 1 1 32 32 THR CA C 32 59.101 59.101 60.562 -1.462 25124 13419 1 20 . 1 1 32 32 THR CB C 32 71.173 71.173 71.160 0.013 25124 13420 1 20 . 1 1 32 32 THR H H 32 8.301 8.301 7.819 0.482 25124 13421 1 20 . 1 1 33 33 PHE N N 33 117.690 117.690 121.017 -3.327 25124 13422 1 20 . 1 1 33 33 PHE HA H 33 4.723 4.723 4.738 -0.015 25124 13423 1 20 . 1 1 33 33 PHE C C 33 174.507 174.507 175.698 -1.191 25124 13424 1 20 . 1 1 33 33 PHE CA C 33 56.504 56.504 58.016 -1.512 25124 13425 1 20 . 1 1 33 33 PHE CB C 33 43.589 43.589 40.945 2.644 25124 13426 1 20 . 1 1 33 33 PHE H H 33 8.834 8.834 8.586 0.248 25124 13427 1 20 . 1 1 34 34 GLU N N 34 118.296 118.296 116.705 1.591 25124 13428 1 20 . 1 1 34 34 GLU HA H 34 4.451 4.451 4.507 -0.056 25124 13429 1 20 . 1 1 34 34 GLU C C 34 174.957 174.957 174.572 0.385 25124 13430 1 20 . 1 1 34 34 GLU CA C 34 56.661 56.661 57.180 -0.519 25124 13431 1 20 . 1 1 34 34 GLU CB C 34 31.792 31.792 31.128 0.664 25124 13432 1 20 . 1 1 34 34 GLU H H 34 9.096 9.096 8.436 0.660 25124 13433 1 20 . 1 1 35 35 ASN N N 35 108.486 108.486 115.552 -7.066 25124 13434 1 20 . 1 1 35 35 ASN HA H 35 4.960 4.960 5.100 -0.140 25124 13435 1 20 . 1 1 35 35 ASN C C 35 175.353 175.353 176.341 -0.988 25124 13436 1 20 . 1 1 35 35 ASN CA C 35 52.364 52.364 51.724 0.640 25124 13437 1 20 . 1 1 35 35 ASN CB C 35 40.932 40.932 40.109 0.823 25124 13438 1 20 . 1 1 35 35 ASN H H 35 7.286 7.286 7.856 -0.570 25124 13439 1 20 . 1 1 36 36 GLY N N 36 105.329 105.329 107.733 -2.404 25124 13440 1 20 . 1 1 36 36 GLY C C 36 174.586 174.586 175.611 -1.025 25124 13441 1 20 . 1 1 36 36 GLY CA C 36 47.533 47.533 47.252 0.281 25124 13442 1 20 . 1 1 36 36 GLY H H 36 9.369 9.369 9.001 0.368 25124 13443 1 20 . 1 1 37 37 ASN N N 37 120.396 120.396 119.235 1.161 25124 13444 1 20 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.356 0.006 25124 13445 1 20 . 1 1 37 37 ASN C C 37 178.791 178.791 177.584 1.207 25124 13446 1 20 . 1 1 37 37 ASN CA C 37 56.843 56.843 56.209 0.634 25124 13447 1 20 . 1 1 37 37 ASN CB C 37 37.716 37.716 38.018 -0.302 25124 13448 1 20 . 1 1 37 37 ASN H H 37 8.440 8.440 8.454 -0.014 25124 13449 1 20 . 1 1 38 38 GLU N N 38 119.334 119.334 119.241 0.093 25124 13450 1 20 . 1 1 38 38 GLU HA H 38 4.058 4.058 3.853 0.205 25124 13451 1 20 . 1 1 38 38 GLU C C 38 179.372 179.372 178.740 0.632 25124 13452 1 20 . 1 1 38 38 GLU CA C 38 58.790 58.790 59.094 -0.304 25124 13453 1 20 . 1 1 38 38 GLU CB C 38 30.692 30.692 29.433 1.259 25124 13454 1 20 . 1 1 38 38 GLU H H 38 8.063 8.063 7.812 0.251 25124 13455 1 20 . 1 1 39 39 VAL N N 39 119.047 119.047 119.947 -0.900 25124 13456 1 20 . 1 1 39 39 VAL HA H 39 2.599 2.599 3.051 -0.452 25124 13457 1 20 . 1 1 39 39 VAL C C 39 176.807 176.807 178.059 -1.252 25124 13458 1 20 . 1 1 39 39 VAL CA C 39 65.222 65.222 65.605 -0.383 25124 13459 1 20 . 1 1 39 39 VAL CB C 39 31.078 31.078 31.173 -0.095 25124 13460 1 20 . 1 1 39 39 VAL H H 39 6.844 6.844 7.233 -0.389 25124 13461 1 20 . 1 1 40 40 LEU N N 40 118.385 118.385 121.151 -2.766 25124 13462 1 20 . 1 1 40 40 LEU HA H 40 3.929 3.929 3.884 0.045 25124 13463 1 20 . 1 1 40 40 LEU C C 40 179.584 179.584 178.083 1.501 25124 13464 1 20 . 1 1 40 40 LEU CA C 40 57.943 57.943 58.062 -0.119 25124 13465 1 20 . 1 1 40 40 LEU CB C 40 40.932 40.932 40.327 0.605 25124 13466 1 20 . 1 1 40 40 LEU H H 40 7.715 7.715 8.027 -0.312 25124 13467 1 20 . 1 1 41 41 ALA N N 41 120.091 120.091 120.589 -0.498 25124 13468 1 20 . 1 1 41 41 ALA HA H 41 4.158 4.158 3.936 0.222 25124 13469 1 20 . 1 1 41 41 ALA C C 41 180.562 180.562 178.655 1.907 25124 13470 1 20 . 1 1 41 41 ALA CA C 41 54.717 54.717 54.947 -0.230 25124 13471 1 20 . 1 1 41 41 ALA CB C 41 17.853 17.853 17.853 -0.000 25124 13472 1 20 . 1 1 41 41 ALA H H 41 7.671 7.671 7.663 0.008 25124 13473 1 20 . 1 1 42 42 ALA N N 42 122.650 122.650 119.753 2.897 25124 13474 1 20 . 1 1 42 42 ALA HA H 42 4.221 4.221 4.273 -0.052 25124 13475 1 20 . 1 1 42 42 ALA C C 42 180.166 180.166 179.633 0.533 25124 13476 1 20 . 1 1 42 42 ALA CA C 42 54.974 54.974 53.995 0.979 25124 13477 1 20 . 1 1 42 42 ALA CB C 42 19.488 19.488 18.400 1.088 25124 13478 1 20 . 1 1 42 42 ALA H H 42 7.573 7.573 7.011 0.562 25124 13479 1 20 . 1 1 43 43 LEU N N 43 119.321 119.321 121.605 -2.284 25124 13480 1 20 . 1 1 43 43 LEU HA H 43 5.260 5.260 4.664 0.596 25124 13481 1 20 . 1 1 43 43 LEU C C 43 177.389 177.389 179.844 -2.455 25124 13482 1 20 . 1 1 43 43 LEU CA C 43 55.446 55.446 57.858 -2.413 25124 13483 1 20 . 1 1 43 43 LEU CB C 43 42.879 42.879 42.022 0.858 25124 13484 1 20 . 1 1 43 43 LEU H H 43 8.289 8.289 8.461 -0.172 25124 13485 1 20 . 1 1 44 44 ALA N N 44 118.995 118.995 120.417 -1.422 25124 13486 1 20 . 1 1 44 44 ALA HA H 44 4.232 4.232 4.135 0.097 25124 13487 1 20 . 1 1 44 44 ALA C C 44 178.738 178.738 178.743 -0.005 25124 13488 1 20 . 1 1 44 44 ALA CA C 44 54.353 54.353 54.660 -0.307 25124 13489 1 20 . 1 1 44 44 ALA CB C 44 18.674 18.674 18.777 -0.103 25124 13490 1 20 . 1 1 44 44 ALA H H 44 7.307 7.307 8.014 -0.707 25124 13491 1 20 . 1 1 45 45 SER N N 45 108.530 108.530 111.848 -3.318 25124 13492 1 20 . 1 1 45 45 SER HA H 45 4.761 4.761 4.488 0.273 25124 13493 1 20 . 1 1 45 45 SER C C 45 173.344 173.344 174.917 -1.573 25124 13494 1 20 . 1 1 45 45 SER CA C 45 58.682 58.682 59.599 -0.917 25124 13495 1 20 . 1 1 45 45 SER CB C 45 65.446 65.446 63.947 1.499 25124 13496 1 20 . 1 1 45 45 SER H H 45 7.772 7.772 7.570 0.202 25124 13497 1 20 . 1 1 46 46 LYS N N 46 122.965 122.965 118.820 4.145 25124 13498 1 20 . 1 1 46 46 LYS HA H 46 4.608 4.608 4.592 0.016 25124 13499 1 20 . 1 1 46 46 LYS C C 46 172.815 172.815 174.293 -1.478 25124 13500 1 20 . 1 1 46 46 LYS CA C 46 55.601 55.601 55.546 0.055 25124 13501 1 20 . 1 1 46 46 LYS CB C 46 36.399 36.399 36.888 -0.489 25124 13502 1 20 . 1 1 46 46 LYS H H 46 8.096 8.096 8.401 -0.305 25124 13503 1 20 . 1 1 47 47 THR N N 47 111.524 111.524 113.987 -2.463 25124 13504 1 20 . 1 1 47 47 THR HA H 47 4.307 4.307 4.520 -0.213 25124 13505 1 20 . 1 1 47 47 THR CA C 47 57.896 57.896 58.026 -0.131 25124 13506 1 20 . 1 1 47 47 THR CB C 47 70.570 70.570 69.552 1.018 25124 13507 1 20 . 1 1 47 47 THR H H 47 7.708 7.708 8.186 -0.478 25124 13508 1 20 . 1 1 48 48 PRO HA H 48 3.944 3.944 3.889 0.055 25124 13509 1 20 . 1 1 48 48 PRO C C 48 173.079 173.079 175.735 -2.656 25124 13510 1 20 . 1 1 48 48 PRO CA C 48 60.922 60.922 61.614 -0.692 25124 13511 1 20 . 1 1 48 48 PRO CB C 48 30.353 30.353 32.109 -1.756 25124 13512 1 20 . 1 1 49 49 ASP N N 49 115.001 115.001 118.238 -3.237 25124 13513 1 20 . 1 1 49 49 ASP HA H 49 4.460 4.460 4.382 0.078 25124 13514 1 20 . 1 1 49 49 ASP C C 49 175.591 175.591 175.424 0.167 25124 13515 1 20 . 1 1 49 49 ASP CA C 49 56.504 56.504 55.318 1.187 25124 13516 1 20 . 1 1 49 49 ASP CB C 49 42.625 42.625 41.799 0.826 25124 13517 1 20 . 1 1 49 49 ASP H H 49 8.535 8.535 8.108 0.427 25124 13518 1 20 . 1 1 50 50 VAL N N 50 111.832 111.832 113.874 -2.042 25124 13519 1 20 . 1 1 50 50 VAL HA H 50 4.316 4.316 4.375 -0.059 25124 13520 1 20 . 1 1 50 50 VAL C C 50 171.572 171.572 173.043 -1.471 25124 13521 1 20 . 1 1 50 50 VAL CA C 50 60.398 60.398 61.369 -0.971 25124 13522 1 20 . 1 1 50 50 VAL CB C 50 34.650 34.650 33.221 1.429 25124 13523 1 20 . 1 1 50 50 VAL H H 50 7.194 7.194 7.148 0.046 25124 13524 1 20 . 1 1 51 51 LEU N N 51 127.785 127.785 128.756 -0.971 25124 13525 1 20 . 1 1 51 51 LEU HA H 51 5.376 5.376 5.532 -0.156 25124 13526 1 20 . 1 1 51 51 LEU C C 51 173.264 173.264 174.907 -1.643 25124 13527 1 20 . 1 1 51 51 LEU CA C 51 53.137 53.137 52.876 0.261 25124 13528 1 20 . 1 1 51 51 LEU CB C 51 46.680 46.680 46.711 -0.031 25124 13529 1 20 . 1 1 51 51 LEU H H 51 8.049 8.049 8.318 -0.269 25124 13530 1 20 . 1 1 52 52 LEU N N 52 128.943 128.943 125.779 3.164 25124 13531 1 20 . 1 1 52 52 LEU HA H 52 5.312 5.312 5.156 0.156 25124 13532 1 20 . 1 1 52 52 LEU C C 52 174.692 174.692 176.786 -2.094 25124 13533 1 20 . 1 1 52 52 LEU CA C 52 54.313 54.313 53.498 0.814 25124 13534 1 20 . 1 1 52 52 LEU CB C 52 43.961 43.961 41.021 2.940 25124 13535 1 20 . 1 1 52 52 LEU H H 52 9.278 9.278 7.993 1.285 25124 13536 1 20 . 1 1 53 53 SER N N 53 116.717 116.717 118.593 -1.876 25124 13537 1 20 . 1 1 53 53 SER HA H 53 5.395 5.395 4.304 1.091 25124 13538 1 20 . 1 1 53 53 SER C C 53 173.608 173.608 173.294 0.314 25124 13539 1 20 . 1 1 53 53 SER CA C 53 56.226 56.226 59.613 -3.387 25124 13540 1 20 . 1 1 53 53 SER CB C 53 65.753 65.753 64.385 1.369 25124 13541 1 20 . 1 1 53 53 SER H H 53 9.256 9.256 7.872 1.384 25124 13542 1 20 . 1 1 54 54 ASP N N 54 127.909 127.909 123.208 4.701 25124 13543 1 20 . 1 1 54 54 ASP HA H 54 5.622 5.622 5.538 0.084 25124 13544 1 20 . 1 1 54 54 ASP C C 54 175.723 175.723 175.609 0.114 25124 13545 1 20 . 1 1 54 54 ASP CA C 54 53.268 53.268 52.054 1.214 25124 13546 1 20 . 1 1 54 54 ASP CB C 54 44.386 44.386 43.404 0.982 25124 13547 1 20 . 1 1 54 54 ASP H H 54 8.219 8.219 8.677 -0.458 25124 13548 1 20 . 1 1 55 55 ILE N N 55 117.015 117.015 118.217 -1.202 25124 13549 1 20 . 1 1 55 55 ILE HA H 55 4.116 4.116 4.471 -0.355 25124 13550 1 20 . 1 1 55 55 ILE C C 55 176.913 176.913 174.922 1.991 25124 13551 1 20 . 1 1 55 55 ILE CA C 55 65.290 65.290 59.450 5.840 25124 13552 1 20 . 1 1 55 55 ILE CB C 55 38.487 38.487 37.060 1.427 25124 13553 1 20 . 1 1 55 55 ILE H H 55 7.812 7.812 8.220 -0.408 25124 13554 1 20 . 1 1 56 56 ARG N N 56 117.365 117.365 122.371 -5.006 25124 13555 1 20 . 1 1 56 56 ARG HA H 56 4.379 4.379 4.399 -0.020 25124 13556 1 20 . 1 1 56 56 ARG C C 56 172.788 172.788 173.977 -1.189 25124 13557 1 20 . 1 1 56 56 ARG CA C 56 57.034 57.034 56.149 0.885 25124 13558 1 20 . 1 1 56 56 ARG CB C 56 27.600 27.600 30.117 -2.517 25124 13559 1 20 . 1 1 56 56 ARG H H 56 8.991 8.991 7.870 1.121 25124 13560 1 20 . 1 1 57 57 MET N N 57 129.539 129.539 118.395 11.144 25124 13561 1 20 . 1 1 57 57 MET HA H 57 4.767 4.767 5.052 -0.285 25124 13562 1 20 . 1 1 57 57 MET CA C 57 53.641 53.641 53.283 0.357 25124 13563 1 20 . 1 1 57 57 MET CB C 57 36.484 36.484 33.634 2.850 25124 13564 1 20 . 1 1 57 57 MET H H 57 7.501 7.501 7.922 -0.421 25124 13565 1 20 . 1 1 58 58 PRO HA H 58 4.379 4.379 4.401 -0.022 25124 13566 1 20 . 1 1 58 58 PRO C C 58 177.495 177.495 177.888 -0.393 25124 13567 1 20 . 1 1 58 58 PRO CA C 58 63.104 63.104 63.850 -0.746 25124 13568 1 20 . 1 1 58 58 PRO CB C 58 31.922 31.922 32.207 -0.285 25124 13569 1 20 . 1 1 59 59 GLY N N 59 112.312 112.312 107.558 4.754 25124 13570 1 20 . 1 1 59 59 GLY C C 59 173.793 173.793 174.471 -0.678 25124 13571 1 20 . 1 1 59 59 GLY CA C 59 46.430 46.430 46.424 0.006 25124 13572 1 20 . 1 1 59 59 GLY H H 59 8.656 8.656 8.526 0.130 25124 13573 1 20 . 1 1 60 60 MET N N 60 124.343 124.343 118.219 6.124 25124 13574 1 20 . 1 1 60 60 MET HA H 60 4.344 4.344 4.569 -0.225 25124 13575 1 20 . 1 1 60 60 MET C C 60 174.190 174.190 174.813 -0.623 25124 13576 1 20 . 1 1 60 60 MET CA C 60 55.871 55.871 55.636 0.235 25124 13577 1 20 . 1 1 60 60 MET CB C 60 34.955 34.955 34.523 0.432 25124 13578 1 20 . 1 1 60 60 MET H H 60 7.778 7.778 8.238 -0.460 25124 13579 1 20 . 1 1 61 61 ASP N N 61 124.993 124.993 113.480 11.513 25124 13580 1 20 . 1 1 61 61 ASP HA H 61 4.870 4.870 4.692 0.178 25124 13581 1 20 . 1 1 61 61 ASP C C 61 176.966 176.966 175.043 1.923 25124 13582 1 20 . 1 1 61 61 ASP CA C 61 53.490 53.490 53.674 -0.184 25124 13583 1 20 . 1 1 61 61 ASP CB C 61 42.347 42.347 41.510 0.837 25124 13584 1 20 . 1 1 61 61 ASP H H 61 8.378 8.378 7.728 0.650 25124 13585 1 20 . 1 1 62 62 GLY N N 62 105.163 105.163 104.447 0.716 25124 13586 1 20 . 1 1 62 62 GLY C C 62 175.935 175.935 175.686 0.249 25124 13587 1 20 . 1 1 62 62 GLY CA C 62 46.755 46.755 45.278 1.477 25124 13588 1 20 . 1 1 62 62 GLY H H 62 10.153 10.153 8.483 1.670 25124 13589 1 20 . 1 1 63 63 LEU N N 63 120.509 120.509 121.803 -1.294 25124 13590 1 20 . 1 1 63 63 LEU HA H 63 4.293 4.293 4.361 -0.068 25124 13591 1 20 . 1 1 63 63 LEU C C 63 179.293 179.293 178.114 1.179 25124 13592 1 20 . 1 1 63 63 LEU CA C 63 57.148 57.148 56.534 0.614 25124 13593 1 20 . 1 1 63 63 LEU CB C 63 40.053 40.053 41.998 -1.945 25124 13594 1 20 . 1 1 63 63 LEU H H 63 8.119 8.119 7.876 0.243 25124 13595 1 20 . 1 1 64 64 ALA N N 64 126.234 126.234 122.339 3.895 25124 13596 1 20 . 1 1 64 64 ALA HA H 64 4.112 4.112 4.063 0.049 25124 13597 1 20 . 1 1 64 64 ALA C C 64 181.223 181.223 178.692 2.531 25124 13598 1 20 . 1 1 64 64 ALA CA C 64 54.802 54.802 54.809 -0.007 25124 13599 1 20 . 1 1 64 64 ALA CB C 64 18.133 18.133 18.221 -0.088 25124 13600 1 20 . 1 1 64 64 ALA H H 64 8.303 8.303 7.635 0.668 25124 13601 1 20 . 1 1 65 65 LEU N N 65 120.067 120.067 118.094 1.973 25124 13602 1 20 . 1 1 65 65 LEU HA H 65 4.044 4.044 4.260 -0.216 25124 13603 1 20 . 1 1 65 65 LEU C C 65 177.548 177.548 178.828 -1.280 25124 13604 1 20 . 1 1 65 65 LEU CA C 65 58.197 58.197 57.247 0.950 25124 13605 1 20 . 1 1 65 65 LEU CB C 65 41.727 41.727 42.501 -0.774 25124 13606 1 20 . 1 1 65 65 LEU H H 65 8.398 8.398 7.935 0.463 25124 13607 1 20 . 1 1 66 66 LEU N N 66 120.890 120.890 121.021 -0.131 25124 13608 1 20 . 1 1 66 66 LEU HA H 66 3.848 3.848 4.044 -0.196 25124 13609 1 20 . 1 1 66 66 LEU C C 66 177.230 177.230 178.077 -0.847 25124 13610 1 20 . 1 1 66 66 LEU CA C 66 58.736 58.736 57.312 1.424 25124 13611 1 20 . 1 1 66 66 LEU CB C 66 41.803 41.803 41.803 -0.000 25124 13612 1 20 . 1 1 66 66 LEU H H 66 8.203 8.203 7.830 0.373 25124 13613 1 20 . 1 1 67 67 LYS N N 67 116.919 116.919 118.262 -1.343 25124 13614 1 20 . 1 1 67 67 LYS HA H 67 4.004 4.004 3.997 0.007 25124 13615 1 20 . 1 1 67 67 LYS C C 67 179.452 179.452 179.042 0.410 25124 13616 1 20 . 1 1 67 67 LYS CA C 67 59.733 59.733 58.880 0.853 25124 13617 1 20 . 1 1 67 67 LYS CB C 67 32.415 32.415 32.177 0.238 25124 13618 1 20 . 1 1 67 67 LYS H H 67 7.667 7.667 7.981 -0.314 25124 13619 1 20 . 1 1 68 68 GLN N N 68 116.851 116.851 118.610 -1.759 25124 13620 1 20 . 1 1 68 68 GLN HA H 68 4.046 4.046 4.123 -0.077 25124 13621 1 20 . 1 1 68 68 GLN C C 68 179.319 179.319 178.029 1.290 25124 13622 1 20 . 1 1 68 68 GLN CA C 68 58.820 58.820 58.986 -0.166 25124 13623 1 20 . 1 1 68 68 GLN CB C 68 28.660 28.660 29.619 -0.959 25124 13624 1 20 . 1 1 68 68 GLN H H 68 7.677 7.677 7.699 -0.022 25124 13625 1 20 . 1 1 69 69 ILE N N 69 120.670 120.670 115.266 5.404 25124 13626 1 20 . 1 1 69 69 ILE HA H 69 3.564 3.564 3.841 -0.277 25124 13627 1 20 . 1 1 69 69 ILE C C 69 177.786 177.786 177.280 0.506 25124 13628 1 20 . 1 1 69 69 ILE CA C 69 65.381 65.381 64.184 1.197 25124 13629 1 20 . 1 1 69 69 ILE CB C 69 37.186 37.186 37.579 -0.393 25124 13630 1 20 . 1 1 69 69 ILE H H 69 8.918 8.918 7.548 1.370 25124 13631 1 20 . 1 1 70 70 LYS N N 70 118.002 118.002 117.019 0.983 25124 13632 1 20 . 1 1 70 70 LYS HA H 70 3.936 3.936 4.189 -0.253 25124 13633 1 20 . 1 1 70 70 LYS C C 70 177.944 177.944 178.002 -0.058 25124 13634 1 20 . 1 1 70 70 LYS CA C 70 57.351 57.351 58.102 -0.751 25124 13635 1 20 . 1 1 70 70 LYS CB C 70 31.440 31.440 32.197 -0.757 25124 13636 1 20 . 1 1 70 70 LYS H H 70 8.592 8.592 7.838 0.754 25124 13637 1 20 . 1 1 71 71 GLN N N 71 114.891 114.891 118.232 -3.341 25124 13638 1 20 . 1 1 71 71 GLN HA H 71 4.063 4.063 4.190 -0.127 25124 13639 1 20 . 1 1 71 71 GLN C C 71 177.019 177.019 178.002 -0.983 25124 13640 1 20 . 1 1 71 71 GLN CA C 71 58.007 58.007 57.655 0.352 25124 13641 1 20 . 1 1 71 71 GLN CB C 71 29.168 29.168 29.298 -0.130 25124 13642 1 20 . 1 1 71 71 GLN H H 71 7.266 7.266 7.482 -0.216 25124 13643 1 20 . 1 1 72 72 ARG N N 72 116.364 116.364 118.577 -2.213 25124 13644 1 20 . 1 1 72 72 ARG HA H 72 4.130 4.130 3.969 0.161 25124 13645 1 20 . 1 1 72 72 ARG C C 72 175.803 175.803 176.147 -0.344 25124 13646 1 20 . 1 1 72 72 ARG CA C 72 57.174 57.174 58.287 -1.113 25124 13647 1 20 . 1 1 72 72 ARG CB C 72 32.638 32.638 30.519 2.119 25124 13648 1 20 . 1 1 72 72 ARG H H 72 7.254 7.254 8.233 -0.979 25124 13649 1 20 . 1 1 73 73 HIS N N 73 116.981 116.981 110.601 6.380 25124 13650 1 20 . 1 1 73 73 HIS HA H 73 4.994 4.994 4.940 0.054 25124 13651 1 20 . 1 1 73 73 HIS CA C 73 53.252 53.252 53.313 -0.061 25124 13652 1 20 . 1 1 73 73 HIS CB C 73 31.026 31.026 29.489 1.537 25124 13653 1 20 . 1 1 73 73 HIS H H 73 8.828 8.828 7.164 1.664 25124 13654 1 20 . 1 1 74 74 PRO HA H 74 4.435 4.435 4.563 -0.128 25124 13655 1 20 . 1 1 74 74 PRO C C 74 178.156 178.156 177.266 0.890 25124 13656 1 20 . 1 1 74 74 PRO CA C 74 65.284 65.284 64.139 1.145 25124 13657 1 20 . 1 1 74 74 PRO CB C 74 32.130 32.130 31.954 0.176 25124 13658 1 20 . 1 1 75 75 MET N N 75 114.676 114.676 116.724 -2.048 25124 13659 1 20 . 1 1 75 75 MET HA H 75 4.587 4.587 4.490 0.097 25124 13660 1 20 . 1 1 75 75 MET C C 75 176.067 176.067 176.411 -0.344 25124 13661 1 20 . 1 1 75 75 MET CA C 75 54.304 54.304 56.200 -1.896 25124 13662 1 20 . 1 1 75 75 MET CB C 75 31.623 31.623 32.940 -1.317 25124 13663 1 20 . 1 1 75 75 MET H H 75 8.648 8.648 7.991 0.657 25124 13664 1 20 . 1 1 76 76 LEU N N 76 125.720 125.720 119.210 6.510 25124 13665 1 20 . 1 1 76 76 LEU HA H 76 4.293 4.293 4.500 -0.207 25124 13666 1 20 . 1 1 76 76 LEU CA C 76 53.472 53.472 52.376 1.097 25124 13667 1 20 . 1 1 76 76 LEU CB C 76 43.540 43.540 41.648 1.892 25124 13668 1 20 . 1 1 76 76 LEU H H 76 7.342 7.342 7.491 -0.149 25124 13669 1 20 . 1 1 77 77 PRO HA H 77 4.440 4.440 4.524 -0.084 25124 13670 1 20 . 1 1 77 77 PRO C C 77 175.062 175.062 175.634 -0.572 25124 13671 1 20 . 1 1 77 77 PRO CA C 77 62.841 62.841 62.918 -0.077 25124 13672 1 20 . 1 1 77 77 PRO CB C 77 31.903 31.903 31.772 0.131 25124 13673 1 20 . 1 1 78 78 VAL N N 78 123.116 123.116 123.376 -0.260 25124 13674 1 20 . 1 1 78 78 VAL HA H 78 5.093 5.093 4.302 0.791 25124 13675 1 20 . 1 1 78 78 VAL C C 78 175.776 175.776 174.717 1.059 25124 13676 1 20 . 1 1 78 78 VAL CA C 78 60.083 60.083 61.509 -1.426 25124 13677 1 20 . 1 1 78 78 VAL CB C 78 34.245 34.245 35.508 -1.263 25124 13678 1 20 . 1 1 78 78 VAL H H 78 8.369 8.369 8.248 0.121 25124 13679 1 20 . 1 1 79 79 ILE N N 79 129.166 129.166 123.158 6.008 25124 13680 1 20 . 1 1 79 79 ILE HA H 79 4.499 4.499 4.603 -0.104 25124 13681 1 20 . 1 1 79 79 ILE C C 79 174.295 174.295 174.902 -0.607 25124 13682 1 20 . 1 1 79 79 ILE CA C 79 60.030 60.030 59.964 0.066 25124 13683 1 20 . 1 1 79 79 ILE CB C 79 40.222 40.222 41.582 -1.360 25124 13684 1 20 . 1 1 79 79 ILE H H 79 9.436 9.436 8.257 1.179 25124 13685 1 20 . 1 1 80 80 ILE N N 80 128.234 128.234 126.476 1.758 25124 13686 1 20 . 1 1 80 80 ILE HA H 80 5.253 5.253 4.327 0.926 25124 13687 1 20 . 1 1 80 80 ILE C C 80 173.449 173.449 174.432 -0.983 25124 13688 1 20 . 1 1 80 80 ILE CA C 80 56.265 56.265 60.177 -3.912 25124 13689 1 20 . 1 1 80 80 ILE CB C 80 38.176 38.176 37.402 0.774 25124 13690 1 20 . 1 1 80 80 ILE H H 80 7.920 7.920 8.220 -0.300 25124 13691 1 20 . 1 1 81 81 MET N N 81 124.079 124.079 128.858 -4.779 25124 13692 1 20 . 1 1 81 81 MET HA H 81 5.489 5.489 4.787 0.702 25124 13693 1 20 . 1 1 81 81 MET C C 81 173.820 173.820 173.821 -0.001 25124 13694 1 20 . 1 1 81 81 MET CA C 81 52.889 52.889 54.264 -1.375 25124 13695 1 20 . 1 1 81 81 MET CB C 81 36.663 36.663 34.775 1.889 25124 13696 1 20 . 1 1 81 81 MET H H 81 9.028 9.028 8.559 0.469 25124 13697 1 20 . 1 1 82 82 THR N N 82 108.434 108.434 118.783 -10.349 25124 13698 1 20 . 1 1 82 82 THR HA H 82 5.134 5.134 4.579 0.555 25124 13699 1 20 . 1 1 82 82 THR C C 82 172.550 172.550 172.110 0.440 25124 13700 1 20 . 1 1 82 82 THR CA C 82 60.642 60.642 61.029 -0.388 25124 13701 1 20 . 1 1 82 82 THR CB C 82 68.843 68.843 70.175 -1.332 25124 13702 1 20 . 1 1 82 82 THR H H 82 7.098 7.098 8.137 -1.039 25124 13703 1 20 . 1 1 83 83 ALA N N 83 128.991 128.991 123.614 5.377 25124 13704 1 20 . 1 1 83 83 ALA HA H 83 4.678 4.678 4.864 -0.186 25124 13705 1 20 . 1 1 83 83 ALA C C 83 177.812 177.812 177.955 -0.143 25124 13706 1 20 . 1 1 83 83 ALA CA C 83 52.457 52.457 50.678 1.779 25124 13707 1 20 . 1 1 83 83 ALA CB C 83 19.396 19.396 21.208 -1.812 25124 13708 1 20 . 1 1 83 83 ALA H H 83 8.590 8.590 8.522 0.068 25124 13709 1 20 . 1 1 84 84 HIS N N 84 121.904 121.904 117.073 4.831 25124 13710 1 20 . 1 1 84 84 HIS HA H 84 4.576 4.576 4.254 0.322 25124 13711 1 20 . 1 1 84 84 HIS C C 84 175.512 175.512 177.541 -2.029 25124 13712 1 20 . 1 1 84 84 HIS CA C 84 56.674 56.674 58.461 -1.787 25124 13713 1 20 . 1 1 84 84 HIS CB C 84 29.589 29.589 29.334 0.255 25124 13714 1 20 . 1 1 84 84 HIS H H 84 8.865 8.865 9.020 -0.155 25124 13715 1 20 . 1 1 85 85 SER N N 85 114.679 114.679 115.080 -0.401 25124 13716 1 20 . 1 1 85 85 SER HA H 85 4.303 4.303 3.871 0.432 25124 13717 1 20 . 1 1 85 85 SER C C 85 174.560 174.560 174.565 -0.005 25124 13718 1 20 . 1 1 85 85 SER CA C 85 58.970 58.970 60.057 -1.087 25124 13719 1 20 . 1 1 85 85 SER CB C 85 62.829 62.829 63.155 -0.326 25124 13720 1 20 . 1 1 85 85 SER H H 85 8.016 8.016 8.235 -0.219 25124 13721 1 20 . 1 1 86 86 ASP N N 86 122.325 122.325 117.992 4.333 25124 13722 1 20 . 1 1 86 86 ASP HA H 86 4.761 4.761 4.749 0.012 25124 13723 1 20 . 1 1 86 86 ASP C C 86 176.094 176.094 174.956 1.138 25124 13724 1 20 . 1 1 86 86 ASP CA C 86 53.627 53.627 54.025 -0.398 25124 13725 1 20 . 1 1 86 86 ASP CB C 86 40.942 40.942 41.005 -0.063 25124 13726 1 20 . 1 1 86 86 ASP H H 86 8.054 8.054 7.814 0.240 25124 13727 1 20 . 1 1 87 87 LEU N N 87 122.041 122.041 122.567 -0.526 25124 13728 1 20 . 1 1 87 87 LEU HA H 87 4.069 4.069 4.208 -0.139 25124 13729 1 20 . 1 1 87 87 LEU C C 87 177.892 177.892 177.426 0.466 25124 13730 1 20 . 1 1 87 87 LEU CA C 87 57.182 57.182 56.549 0.633 25124 13731 1 20 . 1 1 87 87 LEU CB C 87 42.015 42.015 42.514 -0.499 25124 13732 1 20 . 1 1 87 87 LEU H H 87 8.005 8.005 7.420 0.585 25124 13733 1 20 . 1 1 88 88 ASP N N 88 118.050 118.050 120.483 -2.433 25124 13734 1 20 . 1 1 88 88 ASP HA H 88 4.370 4.370 4.246 0.124 25124 13735 1 20 . 1 1 88 88 ASP C C 88 178.103 178.103 177.041 1.062 25124 13736 1 20 . 1 1 88 88 ASP CA C 88 56.342 56.342 56.907 -0.565 25124 13737 1 20 . 1 1 88 88 ASP CB C 88 40.280 40.280 40.425 -0.145 25124 13738 1 20 . 1 1 88 88 ASP H H 88 8.243 8.243 8.644 -0.401 25124 13739 1 20 . 1 1 89 89 ALA N N 89 122.780 122.780 120.914 1.866 25124 13740 1 20 . 1 1 89 89 ALA HA H 89 4.038 4.038 3.969 0.069 25124 13741 1 20 . 1 1 89 89 ALA C C 89 178.526 178.526 178.683 -0.157 25124 13742 1 20 . 1 1 89 89 ALA CA C 89 54.655 54.655 54.106 0.549 25124 13743 1 20 . 1 1 89 89 ALA CB C 89 18.809 18.809 18.466 0.343 25124 13744 1 20 . 1 1 89 89 ALA H H 89 7.890 7.890 7.363 0.527 25124 13745 1 20 . 1 1 90 90 ALA N N 90 120.040 120.040 121.022 -0.982 25124 13746 1 20 . 1 1 90 90 ALA HA H 90 3.254 3.254 3.636 -0.382 25124 13747 1 20 . 1 1 90 90 ALA C C 90 178.976 178.976 178.768 0.208 25124 13748 1 20 . 1 1 90 90 ALA CA C 90 55.050 55.050 54.601 0.449 25124 13749 1 20 . 1 1 90 90 ALA CB C 90 17.725 17.725 18.127 -0.402 25124 13750 1 20 . 1 1 90 90 ALA H H 90 7.513 7.513 7.739 -0.226 25124 13751 1 20 . 1 1 91 91 VAL N N 91 116.635 116.635 117.460 -0.825 25124 13752 1 20 . 1 1 91 91 VAL HA H 91 3.637 3.637 3.992 -0.355 25124 13753 1 20 . 1 1 91 91 VAL C C 91 178.632 178.632 177.955 0.677 25124 13754 1 20 . 1 1 91 91 VAL CA C 91 65.971 65.971 64.288 1.683 25124 13755 1 20 . 1 1 91 91 VAL CB C 91 31.623 31.623 31.019 0.604 25124 13756 1 20 . 1 1 91 91 VAL H H 91 7.877 7.877 7.312 0.565 25124 13757 1 20 . 1 1 92 92 SER N N 92 115.439 115.439 115.870 -0.431 25124 13758 1 20 . 1 1 92 92 SER HA H 92 4.215 4.215 4.039 0.176 25124 13759 1 20 . 1 1 92 92 SER C C 92 175.961 175.961 176.600 -0.639 25124 13760 1 20 . 1 1 92 92 SER CA C 92 61.401 61.401 62.056 -0.655 25124 13761 1 20 . 1 1 92 92 SER CB C 92 62.966 62.966 63.002 -0.036 25124 13762 1 20 . 1 1 92 92 SER H H 92 7.912 7.912 7.581 0.331 25124 13763 1 20 . 1 1 93 93 ALA N N 93 122.647 122.647 123.326 -0.679 25124 13764 1 20 . 1 1 93 93 ALA HA H 93 3.786 3.786 3.988 -0.202 25124 13765 1 20 . 1 1 93 93 ALA C C 93 179.293 179.293 179.734 -0.441 25124 13766 1 20 . 1 1 93 93 ALA CA C 93 55.172 55.172 54.781 0.392 25124 13767 1 20 . 1 1 93 93 ALA CB C 93 17.161 17.161 18.166 -1.005 25124 13768 1 20 . 1 1 93 93 ALA H H 93 8.199 8.199 8.240 -0.041 25124 13769 1 20 . 1 1 94 94 TYR N N 94 117.796 117.796 117.528 0.268 25124 13770 1 20 . 1 1 94 94 TYR HA H 94 4.283 4.283 4.223 0.060 25124 13771 1 20 . 1 1 94 94 TYR C C 94 179.954 179.954 178.444 1.510 25124 13772 1 20 . 1 1 94 94 TYR CA C 94 61.216 61.216 60.547 0.669 25124 13773 1 20 . 1 1 94 94 TYR CB C 94 37.716 37.716 37.648 0.068 25124 13774 1 20 . 1 1 94 94 TYR H H 94 8.065 8.065 7.451 0.614 25124 13775 1 20 . 1 1 95 95 GLN N N 95 120.057 120.057 116.974 3.083 25124 13776 1 20 . 1 1 95 95 GLN HA H 95 4.005 4.005 4.179 -0.174 25124 13777 1 20 . 1 1 95 95 GLN C C 95 177.680 177.680 177.145 0.535 25124 13778 1 20 . 1 1 95 95 GLN CA C 95 58.471 58.471 57.910 0.562 25124 13779 1 20 . 1 1 95 95 GLN CB C 95 28.334 28.334 28.238 0.096 25124 13780 1 20 . 1 1 95 95 GLN H H 95 8.513 8.513 8.051 0.462 25124 13781 1 20 . 1 1 96 96 GLN N N 96 115.323 115.323 117.102 -1.779 25124 13782 1 20 . 1 1 96 96 GLN HA H 96 4.321 4.321 4.357 -0.036 25124 13783 1 20 . 1 1 96 96 GLN C C 96 175.538 175.538 176.298 -0.760 25124 13784 1 20 . 1 1 96 96 GLN CA C 96 55.379 55.379 56.277 -0.898 25124 13785 1 20 . 1 1 96 96 GLN CB C 96 28.915 28.915 29.939 -1.024 25124 13786 1 20 . 1 1 96 96 GLN H H 96 7.774 7.774 7.775 -0.001 25124 13787 1 20 . 1 1 97 97 GLY N N 97 104.173 104.173 106.219 -2.046 25124 13788 1 20 . 1 1 97 97 GLY C C 97 175.168 175.168 173.129 2.039 25124 13789 1 20 . 1 1 97 97 GLY CA C 97 45.491 45.491 44.783 0.708 25124 13790 1 20 . 1 1 97 97 GLY H H 97 7.576 7.576 7.700 -0.124 25124 13791 1 20 . 1 1 98 98 ALA N N 98 123.484 123.484 121.091 2.393 25124 13792 1 20 . 1 1 98 98 ALA HA H 98 4.266 4.266 4.693 -0.427 25124 13793 1 20 . 1 1 98 98 ALA C C 98 176.067 176.067 176.354 -0.287 25124 13794 1 20 . 1 1 98 98 ALA CA C 98 53.008 53.008 51.214 1.794 25124 13795 1 20 . 1 1 98 98 ALA CB C 98 18.556 18.556 20.446 -1.890 25124 13796 1 20 . 1 1 98 98 ALA H H 98 8.358 8.358 7.604 0.754 25124 13797 1 20 . 1 1 99 99 PHE N N 99 123.551 123.551 120.793 2.758 25124 13798 1 20 . 1 1 99 99 PHE HA H 99 4.259 4.259 4.760 -0.501 25124 13799 1 20 . 1 1 99 99 PHE C C 99 175.432 175.432 175.524 -0.092 25124 13800 1 20 . 1 1 99 99 PHE CA C 99 60.274 60.274 59.751 0.523 25124 13801 1 20 . 1 1 99 99 PHE CB C 99 40.375 40.375 41.063 -0.688 25124 13802 1 20 . 1 1 99 99 PHE H H 99 9.477 9.477 8.424 1.053 25124 13803 1 20 . 1 1 100 100 ASP N N 100 110.678 110.678 114.794 -4.116 25124 13804 1 20 . 1 1 100 100 ASP HA H 100 4.547 4.547 5.051 -0.504 25124 13805 1 20 . 1 1 100 100 ASP C C 100 173.053 173.053 173.897 -0.844 25124 13806 1 20 . 1 1 100 100 ASP CA C 100 52.527 52.527 53.828 -1.301 25124 13807 1 20 . 1 1 100 100 ASP CB C 100 44.789 44.789 43.782 1.007 25124 13808 1 20 . 1 1 100 100 ASP H H 100 7.683 7.683 7.974 -0.291 25124 13809 1 20 . 1 1 101 101 TYR N N 101 122.174 122.174 121.384 0.790 25124 13810 1 20 . 1 1 101 101 TYR HA H 101 5.425 5.425 5.184 0.240 25124 13811 1 20 . 1 1 101 101 TYR C C 101 172.550 172.550 174.507 -1.957 25124 13812 1 20 . 1 1 101 101 TYR CA C 101 55.865 55.865 56.211 -0.345 25124 13813 1 20 . 1 1 101 101 TYR CB C 101 41.760 41.760 39.676 2.084 25124 13814 1 20 . 1 1 101 101 TYR H H 101 9.874 9.874 8.497 1.377 25124 13815 1 20 . 1 1 102 102 LEU N N 102 129.337 129.337 130.901 -1.564 25124 13816 1 20 . 1 1 102 102 LEU HA H 102 4.677 4.677 4.615 0.062 25124 13817 1 20 . 1 1 102 102 LEU CA C 102 50.418 50.418 50.963 -0.545 25124 13818 1 20 . 1 1 102 102 LEU CB C 102 45.066 45.066 42.682 2.384 25124 13819 1 20 . 1 1 102 102 LEU H H 102 8.974 8.974 7.790 1.184 25124 13820 1 20 . 1 1 103 103 PRO HA H 103 4.552 4.552 4.416 0.136 25124 13821 1 20 . 1 1 103 103 PRO C C 103 176.067 176.067 175.495 0.572 25124 13822 1 20 . 1 1 103 103 PRO CA C 103 61.951 61.951 62.209 -0.258 25124 13823 1 20 . 1 1 103 103 PRO CB C 103 31.829 31.829 32.362 -0.533 25124 13824 1 20 . 1 1 104 104 LYS N N 104 118.403 118.403 121.120 -2.717 25124 13825 1 20 . 1 1 104 104 LYS HA H 104 4.459 4.459 4.936 -0.477 25124 13826 1 20 . 1 1 104 104 LYS CA C 104 53.204 53.204 53.801 -0.597 25124 13827 1 20 . 1 1 104 104 LYS CB C 104 34.500 34.500 32.043 2.457 25124 13828 1 20 . 1 1 104 104 LYS H H 104 8.013 8.013 8.134 -0.121 25124 13829 1 20 . 1 1 105 105 PRO HA H 105 4.258 4.258 4.547 -0.289 25124 13830 1 20 . 1 1 105 105 PRO C C 105 174.930 174.930 175.913 -0.983 25124 13831 1 20 . 1 1 105 105 PRO CA C 105 62.213 62.213 63.137 -0.924 25124 13832 1 20 . 1 1 105 105 PRO CB C 105 34.151 34.151 31.829 2.322 25124 13833 1 20 . 1 1 106 106 PHE N N 106 116.796 116.796 121.007 -4.211 25124 13834 1 20 . 1 1 106 106 PHE HA H 106 5.169 5.169 4.728 0.441 25124 13835 1 20 . 1 1 106 106 PHE C C 106 175.194 175.194 174.693 0.501 25124 13836 1 20 . 1 1 106 106 PHE CA C 106 53.244 53.244 55.526 -2.282 25124 13837 1 20 . 1 1 106 106 PHE CB C 106 40.477 40.477 41.018 -0.541 25124 13838 1 20 . 1 1 106 106 PHE H H 106 7.399 7.399 7.507 -0.108 25124 13839 1 20 . 1 1 107 107 ASP N N 107 122.212 122.212 122.634 -0.422 25124 13840 1 20 . 1 1 107 107 ASP HA H 107 4.823 4.823 4.738 0.085 25124 13841 1 20 . 1 1 107 107 ASP C C 107 177.812 177.812 177.895 -0.083 25124 13842 1 20 . 1 1 107 107 ASP CA C 107 53.392 53.392 52.689 0.703 25124 13843 1 20 . 1 1 107 107 ASP CB C 107 42.455 42.455 41.223 1.232 25124 13844 1 20 . 1 1 107 107 ASP H H 107 9.047 9.047 8.565 0.482 25124 13845 1 20 . 1 1 108 108 ILE N N 108 127.963 127.963 123.739 4.224 25124 13846 1 20 . 1 1 108 108 ILE HA H 108 3.949 3.949 3.990 -0.041 25124 13847 1 20 . 1 1 108 108 ILE C C 108 176.226 176.226 177.129 -0.903 25124 13848 1 20 . 1 1 108 108 ILE CA C 108 63.105 63.105 63.769 -0.664 25124 13849 1 20 . 1 1 108 108 ILE CB C 108 37.665 37.665 37.302 0.363 25124 13850 1 20 . 1 1 108 108 ILE H H 108 8.898 8.898 8.452 0.446 25124 13851 1 20 . 1 1 109 109 ASP N N 109 119.804 119.804 120.729 -0.925 25124 13852 1 20 . 1 1 109 109 ASP HA H 109 4.393 4.393 4.299 0.094 25124 13853 1 20 . 1 1 109 109 ASP C C 109 179.848 179.848 178.451 1.397 25124 13854 1 20 . 1 1 109 109 ASP CA C 109 57.483 57.483 57.621 -0.138 25124 13855 1 20 . 1 1 109 109 ASP CB C 109 39.986 39.986 40.903 -0.917 25124 13856 1 20 . 1 1 109 109 ASP H H 109 8.098 8.098 8.026 0.072 25124 13857 1 20 . 1 1 110 110 GLU N N 110 121.667 121.667 118.818 2.849 25124 13858 1 20 . 1 1 110 110 GLU HA H 110 4.085 4.085 4.317 -0.232 25124 13859 1 20 . 1 1 110 110 GLU C C 110 178.976 178.976 178.126 0.850 25124 13860 1 20 . 1 1 110 110 GLU CA C 110 58.790 58.790 58.205 0.585 25124 13861 1 20 . 1 1 110 110 GLU CB C 110 29.330 29.330 29.750 -0.419 25124 13862 1 20 . 1 1 110 110 GLU H H 110 8.059 8.059 8.112 -0.053 25124 13863 1 20 . 1 1 111 111 ALA N N 111 122.208 122.208 123.162 -0.954 25124 13864 1 20 . 1 1 111 111 ALA HA H 111 3.758 3.758 4.181 -0.423 25124 13865 1 20 . 1 1 111 111 ALA C C 111 178.605 178.605 179.568 -0.963 25124 13866 1 20 . 1 1 111 111 ALA CA C 111 55.320 55.320 55.091 0.229 25124 13867 1 20 . 1 1 111 111 ALA CB C 111 18.174 18.174 18.511 -0.337 25124 13868 1 20 . 1 1 111 111 ALA H H 111 7.903 7.903 7.531 0.372 25124 13869 1 20 . 1 1 112 112 VAL N N 112 116.429 116.429 118.673 -2.244 25124 13870 1 20 . 1 1 112 112 VAL HA H 112 3.194 3.194 3.628 -0.434 25124 13871 1 20 . 1 1 112 112 VAL C C 112 177.230 177.230 177.837 -0.607 25124 13872 1 20 . 1 1 112 112 VAL CA C 112 67.154 67.154 66.548 0.606 25124 13873 1 20 . 1 1 112 112 VAL CB C 112 31.538 31.538 31.070 0.468 25124 13874 1 20 . 1 1 112 112 VAL H H 112 8.032 8.032 8.606 -0.574 25124 13875 1 20 . 1 1 113 113 ALA N N 113 120.198 120.198 120.288 -0.090 25124 13876 1 20 . 1 1 113 113 ALA HA H 113 4.159 4.159 4.298 -0.139 25124 13877 1 20 . 1 1 113 113 ALA C C 113 180.589 180.589 179.298 1.291 25124 13878 1 20 . 1 1 113 113 ALA CA C 113 54.902 54.902 54.329 0.573 25124 13879 1 20 . 1 1 113 113 ALA CB C 113 17.980 17.980 18.683 -0.703 25124 13880 1 20 . 1 1 113 113 ALA H H 113 7.723 7.723 7.759 -0.036 25124 13881 1 20 . 1 1 114 114 LEU N N 114 120.742 120.742 120.137 0.605 25124 13882 1 20 . 1 1 114 114 LEU HA H 114 4.102 4.102 4.290 -0.188 25124 13883 1 20 . 1 1 114 114 LEU C C 114 178.605 178.605 178.198 0.407 25124 13884 1 20 . 1 1 114 114 LEU CA C 114 58.181 58.181 57.241 0.940 25124 13885 1 20 . 1 1 114 114 LEU CB C 114 42.032 42.032 42.157 -0.125 25124 13886 1 20 . 1 1 114 114 LEU H H 114 7.928 7.928 7.432 0.496 25124 13887 1 20 . 1 1 115 115 VAL N N 115 119.478 119.478 118.679 0.799 25124 13888 1 20 . 1 1 115 115 VAL HA H 115 3.250 3.250 3.552 -0.302 25124 13889 1 20 . 1 1 115 115 VAL C C 115 177.548 177.548 178.148 -0.600 25124 13890 1 20 . 1 1 115 115 VAL CA C 115 67.168 67.168 67.119 0.049 25124 13891 1 20 . 1 1 115 115 VAL CB C 115 30.760 30.760 31.278 -0.518 25124 13892 1 20 . 1 1 115 115 VAL H H 115 7.846 7.846 8.379 -0.533 25124 13893 1 20 . 1 1 116 116 GLU N N 116 117.570 117.570 117.161 0.409 25124 13894 1 20 . 1 1 116 116 GLU HA H 116 3.809 3.809 4.127 -0.318 25124 13895 1 20 . 1 1 116 116 GLU C C 116 179.557 179.557 178.726 0.831 25124 13896 1 20 . 1 1 116 116 GLU CA C 116 59.974 59.974 58.281 1.693 25124 13897 1 20 . 1 1 116 116 GLU CB C 116 29.084 29.084 29.132 -0.048 25124 13898 1 20 . 1 1 116 116 GLU H H 116 8.462 8.462 8.051 0.411 25124 13899 1 20 . 1 1 117 117 ARG N N 117 120.263 120.263 120.068 0.195 25124 13900 1 20 . 1 1 117 117 ARG HA H 117 4.109 4.109 4.108 0.001 25124 13901 1 20 . 1 1 117 117 ARG C C 117 178.500 178.500 178.336 0.164 25124 13902 1 20 . 1 1 117 117 ARG CA C 117 59.411 59.411 59.578 -0.167 25124 13903 1 20 . 1 1 117 117 ARG CB C 117 30.414 30.414 30.231 0.183 25124 13904 1 20 . 1 1 117 117 ARG H H 117 8.090 8.090 7.612 0.478 25124 13905 1 20 . 1 1 118 118 ALA N N 118 122.157 122.157 119.522 2.635 25124 13906 1 20 . 1 1 118 118 ALA HA H 118 3.467 3.467 4.068 -0.601 25124 13907 1 20 . 1 1 118 118 ALA C C 118 178.632 178.632 179.757 -1.125 25124 13908 1 20 . 1 1 118 118 ALA CA C 118 54.739 54.739 53.853 0.886 25124 13909 1 20 . 1 1 118 118 ALA CB C 118 18.280 18.280 18.258 0.022 25124 13910 1 20 . 1 1 118 118 ALA H H 118 8.005 8.005 7.181 0.824 25124 13911 1 20 . 1 1 119 119 ILE N N 119 115.429 115.429 120.260 -4.831 25124 13912 1 20 . 1 1 119 119 ILE HA H 119 3.706 3.706 3.725 -0.019 25124 13913 1 20 . 1 1 119 119 ILE C C 119 177.442 177.442 178.237 -0.795 25124 13914 1 20 . 1 1 119 119 ILE CA C 119 63.910 63.910 65.235 -1.325 25124 13915 1 20 . 1 1 119 119 ILE CB C 119 37.939 37.939 37.628 0.311 25124 13916 1 20 . 1 1 119 119 ILE H H 119 7.788 7.788 7.524 0.264 25124 13917 1 20 . 1 1 120 120 SER N N 120 114.902 114.902 113.930 0.972 25124 13918 1 20 . 1 1 120 120 SER HA H 120 4.285 4.285 4.180 0.105 25124 13919 1 20 . 1 1 120 120 SER C C 120 175.142 175.142 175.967 -0.825 25124 13920 1 20 . 1 1 120 120 SER CA C 120 59.871 59.871 61.104 -1.233 25124 13921 1 20 . 1 1 120 120 SER CB C 120 63.522 63.522 63.303 0.218 25124 13922 1 20 . 1 1 120 120 SER H H 120 7.881 7.881 8.674 -0.793 25124 13923 1 20 . 1 1 121 121 HIS N N 121 119.927 119.927 118.991 0.936 25124 13924 1 20 . 1 1 121 121 HIS HA H 121 4.439 4.439 4.243 0.196 25124 13925 1 20 . 1 1 121 121 HIS C C 121 174.957 174.957 175.435 -0.478 25124 13926 1 20 . 1 1 121 121 HIS CA C 121 57.362 57.362 58.365 -1.003 25124 13927 1 20 . 1 1 121 121 HIS CB C 121 29.496 29.496 29.853 -0.357 25124 13928 1 20 . 1 1 121 121 HIS H H 121 7.960 7.960 7.890 0.070 25124 13929 1 20 . 1 1 122 122 TYR N N 122 118.745 118.745 114.424 4.321 25124 13930 1 20 . 1 1 122 122 TYR HA H 122 4.455 4.455 4.582 -0.127 25124 13931 1 20 . 1 1 122 122 TYR C C 122 175.353 175.353 174.671 0.682 25124 13932 1 20 . 1 1 122 122 TYR CA C 122 58.528 58.528 58.171 0.357 25124 13933 1 20 . 1 1 122 122 TYR CB C 122 38.726 38.726 39.560 -0.834 25124 13934 1 20 . 1 1 122 122 TYR H H 122 7.776 7.776 7.343 0.433 25124 13935 1 20 . 1 1 123 123 GLN N N 123 121.424 121.424 119.380 2.044 25124 13936 1 20 . 1 1 123 123 GLN HA H 123 4.294 4.294 3.999 0.295 25124 13937 1 20 . 1 1 123 123 GLN C C 123 174.560 174.560 174.519 0.041 25124 13938 1 20 . 1 1 123 123 GLN CA C 123 55.658 55.658 56.600 -0.942 25124 13939 1 20 . 1 1 123 123 GLN CB C 123 29.877 29.877 27.628 2.249 25124 13940 1 20 . 1 1 123 123 GLN H H 123 7.904 7.904 8.187 -0.283 25124 13941 1 21 . 1 1 2 2 GLN HA H 2 4.453 4.453 4.380 0.073 25124 13942 1 21 . 1 1 2 2 GLN C C 2 174.930 174.930 174.957 -0.027 25124 13943 1 21 . 1 1 2 2 GLN CA C 2 55.627 55.627 55.604 0.023 25124 13944 1 21 . 1 1 2 2 GLN CB C 2 29.312 29.312 30.247 -0.935 25124 13945 1 21 . 1 1 3 3 ARG N N 3 121.349 121.349 119.584 1.765 25124 13946 1 21 . 1 1 3 3 ARG HA H 3 4.390 4.390 4.064 0.326 25124 13947 1 21 . 1 1 3 3 ARG C C 3 175.723 175.723 174.209 1.514 25124 13948 1 21 . 1 1 3 3 ARG CA C 3 56.041 56.041 57.124 -1.083 25124 13949 1 21 . 1 1 3 3 ARG CB C 3 31.395 31.395 30.224 1.171 25124 13950 1 21 . 1 1 3 3 ARG H H 3 8.451 8.451 8.592 -0.141 25124 13951 1 21 . 1 1 4 4 GLY N N 4 107.889 107.889 106.759 1.130 25124 13952 1 21 . 1 1 4 4 GLY C C 4 171.122 171.122 172.724 -1.602 25124 13953 1 21 . 1 1 4 4 GLY CA C 4 45.333 45.333 44.449 0.884 25124 13954 1 21 . 1 1 4 4 GLY H H 4 8.037 8.037 8.299 -0.262 25124 13955 1 21 . 1 1 5 5 ILE N N 5 122.674 122.674 120.851 1.823 25124 13956 1 21 . 1 1 5 5 ILE HA H 5 4.731 4.731 4.012 0.719 25124 13957 1 21 . 1 1 5 5 ILE C C 5 175.459 175.459 175.242 0.217 25124 13958 1 21 . 1 1 5 5 ILE CA C 5 60.614 60.614 62.634 -2.020 25124 13959 1 21 . 1 1 5 5 ILE CB C 5 39.535 39.535 38.389 1.147 25124 13960 1 21 . 1 1 5 5 ILE H H 5 9.605 9.605 8.352 1.253 25124 13961 1 21 . 1 1 6 6 VAL N N 6 127.532 127.532 125.897 1.635 25124 13962 1 21 . 1 1 6 6 VAL HA H 6 4.892 4.892 4.388 0.504 25124 13963 1 21 . 1 1 6 6 VAL C C 6 174.110 174.110 174.474 -0.364 25124 13964 1 21 . 1 1 6 6 VAL CA C 6 59.255 59.255 61.358 -2.103 25124 13965 1 21 . 1 1 6 6 VAL CB C 6 34.530 34.530 33.033 1.497 25124 13966 1 21 . 1 1 6 6 VAL H H 6 9.135 9.135 8.136 0.999 25124 13967 1 21 . 1 1 7 7 TRP N N 7 127.409 127.409 128.035 -0.626 25124 13968 1 21 . 1 1 7 7 TRP HA H 7 6.447 6.447 5.091 1.356 25124 13969 1 21 . 1 1 7 7 TRP C C 7 175.089 175.089 175.156 -0.067 25124 13970 1 21 . 1 1 7 7 TRP CA C 7 52.797 52.797 54.252 -1.455 25124 13971 1 21 . 1 1 7 7 TRP CB C 7 33.255 33.255 30.427 2.828 25124 13972 1 21 . 1 1 7 7 TRP H H 7 8.544 8.544 8.135 0.409 25124 13973 1 21 . 1 1 8 8 VAL N N 8 122.270 122.270 123.584 -1.314 25124 13974 1 21 . 1 1 8 8 VAL HA H 8 5.135 5.135 4.471 0.664 25124 13975 1 21 . 1 1 8 8 VAL C C 8 173.820 173.820 173.947 -0.127 25124 13976 1 21 . 1 1 8 8 VAL CA C 8 60.457 60.457 61.412 -0.955 25124 13977 1 21 . 1 1 8 8 VAL CB C 8 35.893 35.893 34.359 1.534 25124 13978 1 21 . 1 1 8 8 VAL H H 8 8.643 8.643 8.495 0.148 25124 13979 1 21 . 1 1 9 9 VAL N N 9 126.806 126.806 127.903 -1.097 25124 13980 1 21 . 1 1 9 9 VAL HA H 9 5.192 5.192 4.249 0.943 25124 13981 1 21 . 1 1 9 9 VAL C C 9 172.550 172.550 173.935 -1.385 25124 13982 1 21 . 1 1 9 9 VAL CA C 9 58.384 58.384 61.840 -3.456 25124 13983 1 21 . 1 1 9 9 VAL CB C 9 34.135 34.135 32.133 2.002 25124 13984 1 21 . 1 1 9 9 VAL H H 9 9.113 9.113 8.547 0.566 25124 13985 1 21 . 1 1 10 10 ASP N N 10 125.011 125.011 125.707 -0.696 25124 13986 1 21 . 1 1 10 10 ASP HA H 10 4.554 4.554 4.815 -0.261 25124 13987 1 21 . 1 1 10 10 ASP C C 10 174.877 174.877 173.994 0.883 25124 13988 1 21 . 1 1 10 10 ASP CA C 10 55.066 55.066 53.103 1.963 25124 13989 1 21 . 1 1 10 10 ASP CB C 10 44.131 44.131 43.578 0.553 25124 13990 1 21 . 1 1 10 10 ASP H H 10 7.881 7.881 8.039 -0.158 25124 13991 1 21 . 1 1 11 11 ASP N N 11 124.048 124.048 121.074 2.974 25124 13992 1 21 . 1 1 11 11 ASP HA H 11 4.613 4.613 4.854 -0.241 25124 13993 1 21 . 1 1 11 11 ASP C C 11 175.089 175.089 175.004 0.085 25124 13994 1 21 . 1 1 11 11 ASP CA C 11 55.346 55.346 53.711 1.635 25124 13995 1 21 . 1 1 11 11 ASP CB C 11 39.583 39.583 41.057 -1.474 25124 13996 1 21 . 1 1 11 11 ASP H H 11 9.166 9.166 8.605 0.561 25124 13997 1 21 . 1 1 12 12 ASP N N 12 125.165 125.165 122.300 2.865 25124 13998 1 21 . 1 1 12 12 ASP HA H 12 4.757 4.757 4.733 0.024 25124 13999 1 21 . 1 1 12 12 ASP C C 12 176.993 176.993 176.118 0.875 25124 14000 1 21 . 1 1 12 12 ASP CA C 12 53.112 53.112 54.576 -1.464 25124 14001 1 21 . 1 1 12 12 ASP CB C 12 41.072 41.072 43.761 -2.688 25124 14002 1 21 . 1 1 12 12 ASP H H 12 10.290 10.290 7.830 2.460 25124 14003 1 21 . 1 1 13 13 SER N N 13 123.818 123.818 120.708 3.110 25124 14004 1 21 . 1 1 13 13 SER HA H 13 3.719 3.719 4.217 -0.498 25124 14005 1 21 . 1 1 13 13 SER C C 13 176.146 176.146 176.144 0.002 25124 14006 1 21 . 1 1 13 13 SER CA C 13 61.341 61.341 61.183 0.158 25124 14007 1 21 . 1 1 13 13 SER CB C 13 62.638 62.638 63.205 -0.567 25124 14008 1 21 . 1 1 13 13 SER H H 13 8.993 8.993 8.798 0.195 25124 14009 1 21 . 1 1 14 14 SER N N 14 118.714 118.714 117.729 0.985 25124 14010 1 21 . 1 1 14 14 SER HA H 14 4.322 4.322 4.388 -0.066 25124 14011 1 21 . 1 1 14 14 SER C C 14 176.411 176.411 175.988 0.423 25124 14012 1 21 . 1 1 14 14 SER CA C 14 61.717 61.717 61.565 0.152 25124 14013 1 21 . 1 1 14 14 SER CB C 14 62.554 62.554 63.075 -0.521 25124 14014 1 21 . 1 1 14 14 SER H H 14 8.499 8.499 8.198 0.301 25124 14015 1 21 . 1 1 15 15 ILE N N 15 122.822 122.822 120.114 2.708 25124 14016 1 21 . 1 1 15 15 ILE HA H 15 3.972 3.972 3.983 -0.011 25124 14017 1 21 . 1 1 15 15 ILE C C 15 177.786 177.786 178.000 -0.214 25124 14018 1 21 . 1 1 15 15 ILE CA C 15 60.784 60.784 61.501 -0.717 25124 14019 1 21 . 1 1 15 15 ILE CB C 15 36.016 36.016 37.020 -1.004 25124 14020 1 21 . 1 1 15 15 ILE H H 15 7.011 7.011 7.342 -0.331 25124 14021 1 21 . 1 1 16 16 ARG N N 16 116.580 116.580 120.774 -4.194 25124 14022 1 21 . 1 1 16 16 ARG HA H 16 3.711 3.711 4.169 -0.458 25124 14023 1 21 . 1 1 16 16 ARG C C 16 177.336 177.336 178.282 -0.946 25124 14024 1 21 . 1 1 16 16 ARG CA C 16 61.632 61.632 59.933 1.699 25124 14025 1 21 . 1 1 16 16 ARG CB C 16 30.520 30.520 30.583 -0.063 25124 14026 1 21 . 1 1 16 16 ARG H H 16 7.370 7.370 8.387 -1.017 25124 14027 1 21 . 1 1 17 17 TRP N N 17 116.893 116.893 121.997 -5.104 25124 14028 1 21 . 1 1 17 17 TRP HA H 17 4.481 4.481 4.411 0.070 25124 14029 1 21 . 1 1 17 17 TRP C C 17 178.394 178.394 177.521 0.873 25124 14030 1 21 . 1 1 17 17 TRP CA C 17 60.482 60.482 61.431 -0.949 25124 14031 1 21 . 1 1 17 17 TRP CB C 17 29.372 29.372 29.571 -0.199 25124 14032 1 21 . 1 1 17 17 TRP H H 17 8.020 8.020 8.457 -0.437 25124 14033 1 21 . 1 1 18 18 VAL N N 18 116.799 116.799 116.845 -0.046 25124 14034 1 21 . 1 1 18 18 VAL HA H 18 3.662 3.662 2.740 0.922 25124 14035 1 21 . 1 1 18 18 VAL C C 18 179.161 179.161 177.733 1.428 25124 14036 1 21 . 1 1 18 18 VAL CA C 18 65.858 65.858 65.217 0.641 25124 14037 1 21 . 1 1 18 18 VAL CB C 18 31.792 31.792 30.415 1.377 25124 14038 1 21 . 1 1 18 18 VAL H H 18 8.085 8.085 7.541 0.544 25124 14039 1 21 . 1 1 19 19 LEU N N 19 119.595 119.595 120.702 -1.107 25124 14040 1 21 . 1 1 19 19 LEU HA H 19 4.083 4.083 3.864 0.219 25124 14041 1 21 . 1 1 19 19 LEU C C 19 177.759 177.759 178.677 -0.918 25124 14042 1 21 . 1 1 19 19 LEU CA C 19 57.971 57.971 57.696 0.275 25124 14043 1 21 . 1 1 19 19 LEU CB C 19 41.863 41.863 41.623 0.240 25124 14044 1 21 . 1 1 19 19 LEU H H 19 8.035 8.035 7.286 0.749 25124 14045 1 21 . 1 1 20 20 GLU N N 20 120.318 120.318 120.136 0.182 25124 14046 1 21 . 1 1 20 20 GLU HA H 20 4.007 4.007 3.880 0.127 25124 14047 1 21 . 1 1 20 20 GLU C C 20 178.500 178.500 179.280 -0.780 25124 14048 1 21 . 1 1 20 20 GLU CA C 20 60.567 60.567 59.500 1.067 25124 14049 1 21 . 1 1 20 20 GLU CB C 20 29.073 29.073 29.427 -0.354 25124 14050 1 21 . 1 1 20 20 GLU H H 20 8.417 8.417 8.248 0.169 25124 14051 1 21 . 1 1 21 21 ARG N N 21 115.981 115.981 117.584 -1.603 25124 14052 1 21 . 1 1 21 21 ARG HA H 21 3.898 3.898 3.973 -0.075 25124 14053 1 21 . 1 1 21 21 ARG C C 21 179.769 179.769 177.976 1.793 25124 14054 1 21 . 1 1 21 21 ARG CA C 21 58.491 58.491 58.498 -0.007 25124 14055 1 21 . 1 1 21 21 ARG CB C 21 29.966 29.966 29.898 0.068 25124 14056 1 21 . 1 1 21 21 ARG H H 21 7.579 7.579 8.355 -0.776 25124 14057 1 21 . 1 1 22 22 ALA N N 22 122.267 122.267 122.025 0.242 25124 14058 1 21 . 1 1 22 22 ALA HA H 22 4.110 4.110 4.184 -0.074 25124 14059 1 21 . 1 1 22 22 ALA C C 22 180.456 180.456 179.705 0.751 25124 14060 1 21 . 1 1 22 22 ALA CA C 22 54.643 54.643 54.559 0.084 25124 14061 1 21 . 1 1 22 22 ALA CB C 22 19.225 19.225 18.646 0.579 25124 14062 1 21 . 1 1 22 22 ALA H H 22 7.933 7.933 7.585 0.348 25124 14063 1 21 . 1 1 23 23 LEU N N 23 118.139 118.139 119.979 -1.840 25124 14064 1 21 . 1 1 23 23 LEU HA H 23 4.005 4.005 3.975 0.030 25124 14065 1 21 . 1 1 23 23 LEU C C 23 178.843 178.843 179.129 -0.286 25124 14066 1 21 . 1 1 23 23 LEU CA C 23 57.765 57.765 58.002 -0.237 25124 14067 1 21 . 1 1 23 23 LEU CB C 23 39.919 39.919 41.465 -1.546 25124 14068 1 21 . 1 1 23 23 LEU H H 23 8.855 8.855 8.715 0.140 25124 14069 1 21 . 1 1 24 24 ALA N N 24 122.164 122.164 120.462 1.702 25124 14070 1 21 . 1 1 24 24 ALA HA H 24 4.665 4.665 4.066 0.599 25124 14071 1 21 . 1 1 24 24 ALA C C 24 183.206 183.206 179.710 3.496 25124 14072 1 21 . 1 1 24 24 ALA CA C 24 54.812 54.812 54.667 0.145 25124 14073 1 21 . 1 1 24 24 ALA CB C 24 17.820 17.820 18.319 -0.499 25124 14074 1 21 . 1 1 24 24 ALA H H 24 8.238 8.238 8.145 0.093 25124 14075 1 21 . 1 1 25 25 GLY N N 25 106.903 106.903 105.684 1.219 25124 14076 1 21 . 1 1 25 25 GLY C C 25 174.375 174.375 175.319 -0.944 25124 14077 1 21 . 1 1 25 25 GLY CA C 25 46.550 46.550 45.336 1.214 25124 14078 1 21 . 1 1 25 25 GLY H H 25 7.907 7.907 7.586 0.321 25124 14079 1 21 . 1 1 26 26 ALA N N 26 121.832 121.832 122.383 -0.551 25124 14080 1 21 . 1 1 26 26 ALA HA H 26 4.505 4.505 4.223 0.282 25124 14081 1 21 . 1 1 26 26 ALA CA C 26 51.585 51.585 52.680 -1.095 25124 14082 1 21 . 1 1 26 26 ALA CB C 26 18.799 18.799 19.545 -0.746 25124 14083 1 21 . 1 1 26 26 ALA H H 26 7.316 7.316 7.924 -0.608 25124 14084 1 21 . 1 1 27 27 GLY N N 27 106.146 106.146 105.045 1.101 25124 14085 1 21 . 1 1 27 27 GLY C C 27 174.057 174.057 173.977 0.080 25124 14086 1 21 . 1 1 27 27 GLY CA C 27 45.333 45.333 44.784 0.549 25124 14087 1 21 . 1 1 27 27 GLY H H 27 7.868 7.868 8.224 -0.356 25124 14088 1 21 . 1 1 28 28 LEU N N 28 120.273 120.273 121.509 -1.236 25124 14089 1 21 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.221 0.354 25124 14090 1 21 . 1 1 28 28 LEU C C 28 175.988 175.988 176.924 -0.936 25124 14091 1 21 . 1 1 28 28 LEU CA C 28 53.881 53.881 54.504 -0.623 25124 14092 1 21 . 1 1 28 28 LEU CB C 28 42.540 42.540 42.053 0.487 25124 14093 1 21 . 1 1 28 28 LEU H H 28 7.659 7.659 7.533 0.126 25124 14094 1 21 . 1 1 29 29 THR N N 29 118.173 118.173 118.651 -0.478 25124 14095 1 21 . 1 1 29 29 THR HA H 29 4.346 4.346 4.154 0.192 25124 14096 1 21 . 1 1 29 29 THR C C 29 173.344 173.344 173.625 -0.281 25124 14097 1 21 . 1 1 29 29 THR CA C 29 62.598 62.598 64.242 -1.644 25124 14098 1 21 . 1 1 29 29 THR CB C 29 69.423 69.423 68.791 0.632 25124 14099 1 21 . 1 1 29 29 THR H H 29 8.562 8.562 8.164 0.398 25124 14100 1 21 . 1 1 30 30 CYS N N 30 128.450 128.450 128.035 0.415 25124 14101 1 21 . 1 1 30 30 CYS HA H 30 6.012 6.012 4.553 1.459 25124 14102 1 21 . 1 1 30 30 CYS C C 30 173.978 173.978 173.981 -0.003 25124 14103 1 21 . 1 1 30 30 CYS CA C 30 56.424 56.424 58.071 -1.647 25124 14104 1 21 . 1 1 30 30 CYS CB C 30 29.615 29.615 28.958 0.657 25124 14105 1 21 . 1 1 30 30 CYS H H 30 9.035 9.035 8.643 0.392 25124 14106 1 21 . 1 1 31 31 THR N N 31 126.377 126.377 125.277 1.100 25124 14107 1 21 . 1 1 31 31 THR HA H 31 4.442 4.442 4.522 -0.080 25124 14108 1 21 . 1 1 31 31 THR C C 31 172.683 172.683 172.788 -0.105 25124 14109 1 21 . 1 1 31 31 THR CA C 31 61.956 61.956 61.350 0.606 25124 14110 1 21 . 1 1 31 31 THR CB C 31 70.624 70.624 71.726 -1.102 25124 14111 1 21 . 1 1 31 31 THR H H 31 8.510 8.510 8.434 0.076 25124 14112 1 21 . 1 1 32 32 THR N N 32 115.988 115.988 113.208 2.780 25124 14113 1 21 . 1 1 32 32 THR HA H 32 5.454 5.454 4.801 0.653 25124 14114 1 21 . 1 1 32 32 THR C C 32 172.259 172.259 171.711 0.548 25124 14115 1 21 . 1 1 32 32 THR CA C 32 59.101 59.101 60.342 -1.241 25124 14116 1 21 . 1 1 32 32 THR CB C 32 71.173 71.173 71.302 -0.129 25124 14117 1 21 . 1 1 32 32 THR H H 32 8.301 8.301 7.827 0.474 25124 14118 1 21 . 1 1 33 33 PHE N N 33 117.690 117.690 119.584 -1.894 25124 14119 1 21 . 1 1 33 33 PHE HA H 33 4.723 4.723 4.711 0.012 25124 14120 1 21 . 1 1 33 33 PHE C C 33 174.507 174.507 174.715 -0.208 25124 14121 1 21 . 1 1 33 33 PHE CA C 33 56.504 56.504 58.478 -1.974 25124 14122 1 21 . 1 1 33 33 PHE CB C 33 43.589 43.589 39.990 3.599 25124 14123 1 21 . 1 1 33 33 PHE H H 33 8.834 8.834 8.496 0.338 25124 14124 1 21 . 1 1 34 34 GLU N N 34 118.296 118.296 115.044 3.252 25124 14125 1 21 . 1 1 34 34 GLU HA H 34 4.451 4.451 4.340 0.111 25124 14126 1 21 . 1 1 34 34 GLU C C 34 174.957 174.957 174.166 0.791 25124 14127 1 21 . 1 1 34 34 GLU CA C 34 56.661 56.661 57.112 -0.451 25124 14128 1 21 . 1 1 34 34 GLU CB C 34 31.792 31.792 31.000 0.792 25124 14129 1 21 . 1 1 34 34 GLU H H 34 9.096 9.096 8.526 0.570 25124 14130 1 21 . 1 1 35 35 ASN N N 35 108.486 108.486 114.106 -5.620 25124 14131 1 21 . 1 1 35 35 ASN HA H 35 4.960 4.960 4.941 0.019 25124 14132 1 21 . 1 1 35 35 ASN C C 35 175.353 175.353 176.491 -1.138 25124 14133 1 21 . 1 1 35 35 ASN CA C 35 52.364 52.364 51.917 0.447 25124 14134 1 21 . 1 1 35 35 ASN CB C 35 40.932 40.932 41.747 -0.815 25124 14135 1 21 . 1 1 35 35 ASN H H 35 7.286 7.286 7.620 -0.334 25124 14136 1 21 . 1 1 36 36 GLY N N 36 105.329 105.329 108.051 -2.722 25124 14137 1 21 . 1 1 36 36 GLY C C 36 174.586 174.586 175.749 -1.163 25124 14138 1 21 . 1 1 36 36 GLY CA C 36 47.533 47.533 47.200 0.333 25124 14139 1 21 . 1 1 36 36 GLY H H 36 9.369 9.369 8.790 0.579 25124 14140 1 21 . 1 1 37 37 ASN N N 37 120.396 120.396 118.991 1.405 25124 14141 1 21 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.281 0.081 25124 14142 1 21 . 1 1 37 37 ASN C C 37 178.791 178.791 177.441 1.350 25124 14143 1 21 . 1 1 37 37 ASN CA C 37 56.843 56.843 56.298 0.545 25124 14144 1 21 . 1 1 37 37 ASN CB C 37 37.716 37.716 37.996 -0.280 25124 14145 1 21 . 1 1 37 37 ASN H H 37 8.440 8.440 8.421 0.019 25124 14146 1 21 . 1 1 38 38 GLU N N 38 119.334 119.334 119.440 -0.106 25124 14147 1 21 . 1 1 38 38 GLU HA H 38 4.058 4.058 3.874 0.184 25124 14148 1 21 . 1 1 38 38 GLU C C 38 179.372 179.372 178.744 0.628 25124 14149 1 21 . 1 1 38 38 GLU CA C 38 58.790 58.790 58.966 -0.176 25124 14150 1 21 . 1 1 38 38 GLU CB C 38 30.692 30.692 29.570 1.122 25124 14151 1 21 . 1 1 38 38 GLU H H 38 8.063 8.063 7.687 0.376 25124 14152 1 21 . 1 1 39 39 VAL N N 39 119.047 119.047 120.081 -1.034 25124 14153 1 21 . 1 1 39 39 VAL HA H 39 2.599 2.599 2.943 -0.344 25124 14154 1 21 . 1 1 39 39 VAL C C 39 176.807 176.807 177.930 -1.123 25124 14155 1 21 . 1 1 39 39 VAL CA C 39 65.222 65.222 65.610 -0.388 25124 14156 1 21 . 1 1 39 39 VAL CB C 39 31.078 31.078 31.406 -0.328 25124 14157 1 21 . 1 1 39 39 VAL H H 39 6.844 6.844 7.177 -0.333 25124 14158 1 21 . 1 1 40 40 LEU N N 40 118.385 118.385 121.556 -3.171 25124 14159 1 21 . 1 1 40 40 LEU HA H 40 3.929 3.929 4.048 -0.119 25124 14160 1 21 . 1 1 40 40 LEU C C 40 179.584 179.584 178.578 1.006 25124 14161 1 21 . 1 1 40 40 LEU CA C 40 57.943 57.943 57.876 0.067 25124 14162 1 21 . 1 1 40 40 LEU CB C 40 40.932 40.932 40.332 0.600 25124 14163 1 21 . 1 1 40 40 LEU H H 40 7.715 7.715 8.021 -0.306 25124 14164 1 21 . 1 1 41 41 ALA N N 41 120.091 120.091 120.661 -0.570 25124 14165 1 21 . 1 1 41 41 ALA HA H 41 4.158 4.158 3.930 0.228 25124 14166 1 21 . 1 1 41 41 ALA C C 41 180.562 180.562 178.633 1.929 25124 14167 1 21 . 1 1 41 41 ALA CA C 41 54.717 54.717 54.964 -0.247 25124 14168 1 21 . 1 1 41 41 ALA CB C 41 17.853 17.853 17.839 0.014 25124 14169 1 21 . 1 1 41 41 ALA H H 41 7.671 7.671 7.646 0.025 25124 14170 1 21 . 1 1 42 42 ALA N N 42 122.650 122.650 119.779 2.871 25124 14171 1 21 . 1 1 42 42 ALA HA H 42 4.221 4.221 4.265 -0.044 25124 14172 1 21 . 1 1 42 42 ALA C C 42 180.166 180.166 179.631 0.535 25124 14173 1 21 . 1 1 42 42 ALA CA C 42 54.974 54.974 53.961 1.013 25124 14174 1 21 . 1 1 42 42 ALA CB C 42 19.488 19.488 18.358 1.131 25124 14175 1 21 . 1 1 42 42 ALA H H 42 7.573 7.573 6.999 0.574 25124 14176 1 21 . 1 1 43 43 LEU N N 43 119.321 119.321 121.636 -2.315 25124 14177 1 21 . 1 1 43 43 LEU HA H 43 5.260 5.260 4.639 0.621 25124 14178 1 21 . 1 1 43 43 LEU C C 43 177.389 177.389 179.895 -2.506 25124 14179 1 21 . 1 1 43 43 LEU CA C 43 55.446 55.446 57.950 -2.504 25124 14180 1 21 . 1 1 43 43 LEU CB C 43 42.879 42.879 41.967 0.912 25124 14181 1 21 . 1 1 43 43 LEU H H 43 8.289 8.289 8.486 -0.197 25124 14182 1 21 . 1 1 44 44 ALA N N 44 118.995 118.995 120.084 -1.089 25124 14183 1 21 . 1 1 44 44 ALA HA H 44 4.232 4.232 4.123 0.109 25124 14184 1 21 . 1 1 44 44 ALA C C 44 178.738 178.738 179.025 -0.287 25124 14185 1 21 . 1 1 44 44 ALA CA C 44 54.353 54.353 54.692 -0.339 25124 14186 1 21 . 1 1 44 44 ALA CB C 44 18.674 18.674 18.656 0.018 25124 14187 1 21 . 1 1 44 44 ALA H H 44 7.307 7.307 7.997 -0.690 25124 14188 1 21 . 1 1 45 45 SER N N 45 108.530 108.530 112.015 -3.485 25124 14189 1 21 . 1 1 45 45 SER HA H 45 4.761 4.761 4.517 0.244 25124 14190 1 21 . 1 1 45 45 SER C C 45 173.344 173.344 174.963 -1.619 25124 14191 1 21 . 1 1 45 45 SER CA C 45 58.682 58.682 60.288 -1.606 25124 14192 1 21 . 1 1 45 45 SER CB C 45 65.446 65.446 63.950 1.496 25124 14193 1 21 . 1 1 45 45 SER H H 45 7.772 7.772 7.547 0.225 25124 14194 1 21 . 1 1 46 46 LYS N N 46 122.965 122.965 118.359 4.606 25124 14195 1 21 . 1 1 46 46 LYS HA H 46 4.608 4.608 4.621 -0.013 25124 14196 1 21 . 1 1 46 46 LYS C C 46 172.815 172.815 174.127 -1.312 25124 14197 1 21 . 1 1 46 46 LYS CA C 46 55.601 55.601 55.516 0.085 25124 14198 1 21 . 1 1 46 46 LYS CB C 46 36.399 36.399 36.533 -0.134 25124 14199 1 21 . 1 1 46 46 LYS H H 46 8.096 8.096 8.347 -0.251 25124 14200 1 21 . 1 1 47 47 THR N N 47 111.524 111.524 113.508 -1.984 25124 14201 1 21 . 1 1 47 47 THR HA H 47 4.307 4.307 4.506 -0.199 25124 14202 1 21 . 1 1 47 47 THR CA C 47 57.896 57.896 58.308 -0.412 25124 14203 1 21 . 1 1 47 47 THR CB C 47 70.570 70.570 69.446 1.124 25124 14204 1 21 . 1 1 47 47 THR H H 47 7.708 7.708 8.207 -0.499 25124 14205 1 21 . 1 1 48 48 PRO HA H 48 3.944 3.944 3.932 0.012 25124 14206 1 21 . 1 1 48 48 PRO C C 48 173.079 173.079 175.925 -2.846 25124 14207 1 21 . 1 1 48 48 PRO CA C 48 60.922 60.922 61.889 -0.967 25124 14208 1 21 . 1 1 48 48 PRO CB C 48 30.353 30.353 32.059 -1.706 25124 14209 1 21 . 1 1 49 49 ASP N N 49 115.001 115.001 118.229 -3.228 25124 14210 1 21 . 1 1 49 49 ASP HA H 49 4.460 4.460 4.474 -0.014 25124 14211 1 21 . 1 1 49 49 ASP C C 49 175.591 175.591 175.553 0.038 25124 14212 1 21 . 1 1 49 49 ASP CA C 49 56.504 56.504 55.785 0.719 25124 14213 1 21 . 1 1 49 49 ASP CB C 49 42.625 42.625 41.715 0.910 25124 14214 1 21 . 1 1 49 49 ASP H H 49 8.535 8.535 8.166 0.369 25124 14215 1 21 . 1 1 50 50 VAL N N 50 111.832 111.832 114.642 -2.810 25124 14216 1 21 . 1 1 50 50 VAL HA H 50 4.316 4.316 4.388 -0.072 25124 14217 1 21 . 1 1 50 50 VAL C C 50 171.572 171.572 173.226 -1.654 25124 14218 1 21 . 1 1 50 50 VAL CA C 50 60.398 60.398 61.168 -0.770 25124 14219 1 21 . 1 1 50 50 VAL CB C 50 34.650 34.650 33.439 1.211 25124 14220 1 21 . 1 1 50 50 VAL H H 50 7.194 7.194 7.255 -0.061 25124 14221 1 21 . 1 1 51 51 LEU N N 51 127.785 127.785 128.892 -1.107 25124 14222 1 21 . 1 1 51 51 LEU HA H 51 5.376 5.376 5.502 -0.126 25124 14223 1 21 . 1 1 51 51 LEU C C 51 173.264 173.264 174.736 -1.472 25124 14224 1 21 . 1 1 51 51 LEU CA C 51 53.137 53.137 53.108 0.029 25124 14225 1 21 . 1 1 51 51 LEU CB C 51 46.680 46.680 46.063 0.617 25124 14226 1 21 . 1 1 51 51 LEU H H 51 8.049 8.049 8.472 -0.423 25124 14227 1 21 . 1 1 52 52 LEU N N 52 128.943 128.943 125.634 3.309 25124 14228 1 21 . 1 1 52 52 LEU HA H 52 5.312 5.312 5.149 0.163 25124 14229 1 21 . 1 1 52 52 LEU C C 52 174.692 174.692 176.663 -1.971 25124 14230 1 21 . 1 1 52 52 LEU CA C 52 54.313 54.313 53.547 0.766 25124 14231 1 21 . 1 1 52 52 LEU CB C 52 43.961 43.961 41.957 2.004 25124 14232 1 21 . 1 1 52 52 LEU H H 52 9.278 9.278 7.932 1.346 25124 14233 1 21 . 1 1 53 53 SER N N 53 116.717 116.717 117.176 -0.459 25124 14234 1 21 . 1 1 53 53 SER HA H 53 5.395 5.395 4.355 1.040 25124 14235 1 21 . 1 1 53 53 SER C C 53 173.608 173.608 173.488 0.120 25124 14236 1 21 . 1 1 53 53 SER CA C 53 56.226 56.226 60.133 -3.908 25124 14237 1 21 . 1 1 53 53 SER CB C 53 65.753 65.753 64.273 1.480 25124 14238 1 21 . 1 1 53 53 SER H H 53 9.256 9.256 8.373 0.883 25124 14239 1 21 . 1 1 54 54 ASP N N 54 127.909 127.909 118.342 9.567 25124 14240 1 21 . 1 1 54 54 ASP HA H 54 5.622 5.622 5.229 0.393 25124 14241 1 21 . 1 1 54 54 ASP C C 54 175.723 175.723 175.523 0.200 25124 14242 1 21 . 1 1 54 54 ASP CA C 54 53.268 53.268 53.443 -0.175 25124 14243 1 21 . 1 1 54 54 ASP CB C 54 44.386 44.386 43.844 0.542 25124 14244 1 21 . 1 1 54 54 ASP H H 54 8.219 8.219 8.462 -0.243 25124 14245 1 21 . 1 1 55 55 ILE N N 55 117.015 117.015 122.804 -5.789 25124 14246 1 21 . 1 1 55 55 ILE HA H 55 4.116 4.116 3.899 0.217 25124 14247 1 21 . 1 1 55 55 ILE C C 55 176.913 176.913 176.573 0.340 25124 14248 1 21 . 1 1 55 55 ILE CA C 55 65.290 65.290 63.800 1.490 25124 14249 1 21 . 1 1 55 55 ILE CB C 55 38.487 38.487 38.775 -0.288 25124 14250 1 21 . 1 1 55 55 ILE H H 55 7.812 7.812 8.542 -0.730 25124 14251 1 21 . 1 1 56 56 ARG N N 56 117.365 117.365 121.449 -4.084 25124 14252 1 21 . 1 1 56 56 ARG HA H 56 4.379 4.379 4.216 0.163 25124 14253 1 21 . 1 1 56 56 ARG C C 56 172.788 172.788 174.539 -1.751 25124 14254 1 21 . 1 1 56 56 ARG CA C 56 57.034 57.034 56.424 0.610 25124 14255 1 21 . 1 1 56 56 ARG CB C 56 27.600 27.600 28.724 -1.124 25124 14256 1 21 . 1 1 56 56 ARG H H 56 8.991 8.991 7.622 1.369 25124 14257 1 21 . 1 1 57 57 MET N N 57 129.539 129.539 124.520 5.019 25124 14258 1 21 . 1 1 57 57 MET HA H 57 4.767 4.767 4.848 -0.081 25124 14259 1 21 . 1 1 57 57 MET CA C 57 53.641 53.641 52.864 0.777 25124 14260 1 21 . 1 1 57 57 MET CB C 57 36.484 36.484 36.226 0.258 25124 14261 1 21 . 1 1 57 57 MET H H 57 7.501 7.501 8.049 -0.548 25124 14262 1 21 . 1 1 58 58 PRO HA H 58 4.379 4.379 4.412 -0.033 25124 14263 1 21 . 1 1 58 58 PRO C C 58 177.495 177.495 177.582 -0.087 25124 14264 1 21 . 1 1 58 58 PRO CA C 58 63.104 63.104 63.670 -0.566 25124 14265 1 21 . 1 1 58 58 PRO CB C 58 31.922 31.922 32.331 -0.409 25124 14266 1 21 . 1 1 59 59 GLY N N 59 112.312 112.312 108.149 4.163 25124 14267 1 21 . 1 1 59 59 GLY C C 59 173.793 173.793 174.866 -1.073 25124 14268 1 21 . 1 1 59 59 GLY CA C 59 46.430 46.430 46.637 -0.207 25124 14269 1 21 . 1 1 59 59 GLY H H 59 8.656 8.656 8.516 0.140 25124 14270 1 21 . 1 1 60 60 MET N N 60 124.343 124.343 119.123 5.220 25124 14271 1 21 . 1 1 60 60 MET HA H 60 4.344 4.344 4.566 -0.222 25124 14272 1 21 . 1 1 60 60 MET C C 60 174.190 174.190 175.055 -0.865 25124 14273 1 21 . 1 1 60 60 MET CA C 60 55.871 55.871 56.432 -0.561 25124 14274 1 21 . 1 1 60 60 MET CB C 60 34.955 34.955 33.981 0.974 25124 14275 1 21 . 1 1 60 60 MET H H 60 7.778 7.778 8.112 -0.334 25124 14276 1 21 . 1 1 61 61 ASP N N 61 124.993 124.993 114.797 10.196 25124 14277 1 21 . 1 1 61 61 ASP HA H 61 4.870 4.870 4.830 0.040 25124 14278 1 21 . 1 1 61 61 ASP C C 61 176.966 176.966 175.688 1.278 25124 14279 1 21 . 1 1 61 61 ASP CA C 61 53.490 53.490 53.918 -0.428 25124 14280 1 21 . 1 1 61 61 ASP CB C 61 42.347 42.347 42.994 -0.647 25124 14281 1 21 . 1 1 61 61 ASP H H 61 8.378 8.378 7.559 0.819 25124 14282 1 21 . 1 1 62 62 GLY N N 62 105.163 105.163 106.189 -1.026 25124 14283 1 21 . 1 1 62 62 GLY C C 62 175.935 175.935 175.858 0.077 25124 14284 1 21 . 1 1 62 62 GLY CA C 62 46.755 46.755 45.984 0.770 25124 14285 1 21 . 1 1 62 62 GLY H H 62 10.153 10.153 8.472 1.681 25124 14286 1 21 . 1 1 63 63 LEU N N 63 120.509 120.509 121.132 -0.623 25124 14287 1 21 . 1 1 63 63 LEU HA H 63 4.293 4.293 4.056 0.237 25124 14288 1 21 . 1 1 63 63 LEU C C 63 179.293 179.293 178.205 1.088 25124 14289 1 21 . 1 1 63 63 LEU CA C 63 57.148 57.148 57.373 -0.225 25124 14290 1 21 . 1 1 63 63 LEU CB C 63 40.053 40.053 41.393 -1.340 25124 14291 1 21 . 1 1 63 63 LEU H H 63 8.119 8.119 7.998 0.121 25124 14292 1 21 . 1 1 64 64 ALA N N 64 126.234 126.234 120.844 5.390 25124 14293 1 21 . 1 1 64 64 ALA HA H 64 4.112 4.112 4.038 0.074 25124 14294 1 21 . 1 1 64 64 ALA C C 64 181.223 181.223 178.578 2.645 25124 14295 1 21 . 1 1 64 64 ALA CA C 64 54.802 54.802 54.523 0.279 25124 14296 1 21 . 1 1 64 64 ALA CB C 64 18.133 18.133 18.049 0.084 25124 14297 1 21 . 1 1 64 64 ALA H H 64 8.303 8.303 8.133 0.170 25124 14298 1 21 . 1 1 65 65 LEU N N 65 120.067 120.067 117.851 2.216 25124 14299 1 21 . 1 1 65 65 LEU HA H 65 4.044 4.044 4.237 -0.193 25124 14300 1 21 . 1 1 65 65 LEU C C 65 177.548 177.548 178.809 -1.261 25124 14301 1 21 . 1 1 65 65 LEU CA C 65 58.197 58.197 56.969 1.228 25124 14302 1 21 . 1 1 65 65 LEU CB C 65 41.727 41.727 42.322 -0.595 25124 14303 1 21 . 1 1 65 65 LEU H H 65 8.398 8.398 7.514 0.884 25124 14304 1 21 . 1 1 66 66 LEU N N 66 120.890 120.890 121.202 -0.312 25124 14305 1 21 . 1 1 66 66 LEU HA H 66 3.848 3.848 3.946 -0.098 25124 14306 1 21 . 1 1 66 66 LEU C C 66 177.230 177.230 178.239 -1.009 25124 14307 1 21 . 1 1 66 66 LEU CA C 66 58.736 58.736 57.630 1.106 25124 14308 1 21 . 1 1 66 66 LEU CB C 66 41.803 41.803 41.780 0.023 25124 14309 1 21 . 1 1 66 66 LEU H H 66 8.203 8.203 7.913 0.290 25124 14310 1 21 . 1 1 67 67 LYS N N 67 116.919 116.919 118.359 -1.440 25124 14311 1 21 . 1 1 67 67 LYS HA H 67 4.004 4.004 3.940 0.064 25124 14312 1 21 . 1 1 67 67 LYS C C 67 179.452 179.452 179.081 0.371 25124 14313 1 21 . 1 1 67 67 LYS CA C 67 59.733 59.733 59.065 0.668 25124 14314 1 21 . 1 1 67 67 LYS CB C 67 32.415 32.415 32.157 0.258 25124 14315 1 21 . 1 1 67 67 LYS H H 67 7.667 7.667 8.058 -0.391 25124 14316 1 21 . 1 1 68 68 GLN N N 68 116.851 116.851 118.670 -1.819 25124 14317 1 21 . 1 1 68 68 GLN HA H 68 4.046 4.046 4.090 -0.044 25124 14318 1 21 . 1 1 68 68 GLN C C 68 179.319 179.319 178.263 1.056 25124 14319 1 21 . 1 1 68 68 GLN CA C 68 58.820 58.820 58.922 -0.102 25124 14320 1 21 . 1 1 68 68 GLN CB C 68 28.660 28.660 29.465 -0.805 25124 14321 1 21 . 1 1 68 68 GLN H H 68 7.677 7.677 7.829 -0.152 25124 14322 1 21 . 1 1 69 69 ILE N N 69 120.670 120.670 115.561 5.109 25124 14323 1 21 . 1 1 69 69 ILE HA H 69 3.564 3.564 3.870 -0.306 25124 14324 1 21 . 1 1 69 69 ILE C C 69 177.786 177.786 177.623 0.163 25124 14325 1 21 . 1 1 69 69 ILE CA C 69 65.381 65.381 64.139 1.242 25124 14326 1 21 . 1 1 69 69 ILE CB C 69 37.186 37.186 37.433 -0.247 25124 14327 1 21 . 1 1 69 69 ILE H H 69 8.918 8.918 7.470 1.448 25124 14328 1 21 . 1 1 70 70 LYS N N 70 118.002 118.002 117.460 0.542 25124 14329 1 21 . 1 1 70 70 LYS HA H 70 3.936 3.936 4.167 -0.231 25124 14330 1 21 . 1 1 70 70 LYS C C 70 177.944 177.944 178.203 -0.259 25124 14331 1 21 . 1 1 70 70 LYS CA C 70 57.351 57.351 57.712 -0.361 25124 14332 1 21 . 1 1 70 70 LYS CB C 70 31.440 31.440 32.329 -0.889 25124 14333 1 21 . 1 1 70 70 LYS H H 70 8.592 8.592 7.943 0.649 25124 14334 1 21 . 1 1 71 71 GLN N N 71 114.891 114.891 117.786 -2.895 25124 14335 1 21 . 1 1 71 71 GLN HA H 71 4.063 4.063 4.232 -0.169 25124 14336 1 21 . 1 1 71 71 GLN C C 71 177.019 177.019 178.132 -1.113 25124 14337 1 21 . 1 1 71 71 GLN CA C 71 58.007 58.007 56.954 1.053 25124 14338 1 21 . 1 1 71 71 GLN CB C 71 29.168 29.168 29.422 -0.254 25124 14339 1 21 . 1 1 71 71 GLN H H 71 7.266 7.266 7.453 -0.187 25124 14340 1 21 . 1 1 72 72 ARG N N 72 116.364 116.364 119.488 -3.124 25124 14341 1 21 . 1 1 72 72 ARG HA H 72 4.130 4.130 3.962 0.168 25124 14342 1 21 . 1 1 72 72 ARG C C 72 175.803 175.803 175.705 0.098 25124 14343 1 21 . 1 1 72 72 ARG CA C 72 57.174 57.174 58.167 -0.993 25124 14344 1 21 . 1 1 72 72 ARG CB C 72 32.638 32.638 30.483 2.155 25124 14345 1 21 . 1 1 72 72 ARG H H 72 7.254 7.254 8.197 -0.943 25124 14346 1 21 . 1 1 73 73 HIS N N 73 116.981 116.981 109.982 6.999 25124 14347 1 21 . 1 1 73 73 HIS HA H 73 4.994 4.994 4.897 0.097 25124 14348 1 21 . 1 1 73 73 HIS CA C 73 53.252 53.252 53.270 -0.018 25124 14349 1 21 . 1 1 73 73 HIS CB C 73 31.026 31.026 29.631 1.395 25124 14350 1 21 . 1 1 73 73 HIS H H 73 8.828 8.828 7.200 1.628 25124 14351 1 21 . 1 1 74 74 PRO HA H 74 4.435 4.435 4.546 -0.111 25124 14352 1 21 . 1 1 74 74 PRO C C 74 178.156 178.156 176.969 1.187 25124 14353 1 21 . 1 1 74 74 PRO CA C 74 65.284 65.284 64.014 1.269 25124 14354 1 21 . 1 1 74 74 PRO CB C 74 32.130 32.130 31.902 0.228 25124 14355 1 21 . 1 1 75 75 MET N N 75 114.676 114.676 116.406 -1.730 25124 14356 1 21 . 1 1 75 75 MET HA H 75 4.587 4.587 4.348 0.239 25124 14357 1 21 . 1 1 75 75 MET C C 75 176.067 176.067 176.507 -0.440 25124 14358 1 21 . 1 1 75 75 MET CA C 75 54.304 54.304 55.885 -1.581 25124 14359 1 21 . 1 1 75 75 MET CB C 75 31.623 31.623 32.825 -1.202 25124 14360 1 21 . 1 1 75 75 MET H H 75 8.648 8.648 7.857 0.791 25124 14361 1 21 . 1 1 76 76 LEU N N 76 125.720 125.720 119.598 6.122 25124 14362 1 21 . 1 1 76 76 LEU HA H 76 4.293 4.293 4.605 -0.312 25124 14363 1 21 . 1 1 76 76 LEU CA C 76 53.472 53.472 52.230 1.242 25124 14364 1 21 . 1 1 76 76 LEU CB C 76 43.540 43.540 41.776 1.764 25124 14365 1 21 . 1 1 76 76 LEU H H 76 7.342 7.342 7.446 -0.104 25124 14366 1 21 . 1 1 77 77 PRO HA H 77 4.440 4.440 4.474 -0.034 25124 14367 1 21 . 1 1 77 77 PRO C C 77 175.062 175.062 175.666 -0.604 25124 14368 1 21 . 1 1 77 77 PRO CA C 77 62.841 62.841 62.734 0.107 25124 14369 1 21 . 1 1 77 77 PRO CB C 77 31.903 31.903 32.193 -0.290 25124 14370 1 21 . 1 1 78 78 VAL N N 78 123.116 123.116 122.517 0.599 25124 14371 1 21 . 1 1 78 78 VAL HA H 78 5.093 5.093 4.273 0.820 25124 14372 1 21 . 1 1 78 78 VAL C C 78 175.776 175.776 174.662 1.114 25124 14373 1 21 . 1 1 78 78 VAL CA C 78 60.083 60.083 61.276 -1.193 25124 14374 1 21 . 1 1 78 78 VAL CB C 78 34.245 34.245 35.153 -0.908 25124 14375 1 21 . 1 1 78 78 VAL H H 78 8.369 8.369 8.140 0.229 25124 14376 1 21 . 1 1 79 79 ILE N N 79 129.166 129.166 125.338 3.828 25124 14377 1 21 . 1 1 79 79 ILE HA H 79 4.499 4.499 4.488 0.011 25124 14378 1 21 . 1 1 79 79 ILE C C 79 174.295 174.295 175.246 -0.951 25124 14379 1 21 . 1 1 79 79 ILE CA C 79 60.030 60.030 60.134 -0.104 25124 14380 1 21 . 1 1 79 79 ILE CB C 79 40.222 40.222 40.176 0.046 25124 14381 1 21 . 1 1 79 79 ILE H H 79 9.436 9.436 7.996 1.440 25124 14382 1 21 . 1 1 80 80 ILE N N 80 128.234 128.234 127.746 0.488 25124 14383 1 21 . 1 1 80 80 ILE HA H 80 5.253 5.253 4.486 0.767 25124 14384 1 21 . 1 1 80 80 ILE C C 80 173.449 173.449 174.405 -0.956 25124 14385 1 21 . 1 1 80 80 ILE CA C 80 56.265 56.265 60.377 -4.112 25124 14386 1 21 . 1 1 80 80 ILE CB C 80 38.176 38.176 37.450 0.726 25124 14387 1 21 . 1 1 80 80 ILE H H 80 7.920 7.920 8.129 -0.209 25124 14388 1 21 . 1 1 81 81 MET N N 81 124.079 124.079 128.342 -4.263 25124 14389 1 21 . 1 1 81 81 MET HA H 81 5.489 5.489 4.676 0.813 25124 14390 1 21 . 1 1 81 81 MET C C 81 173.820 173.820 173.814 0.006 25124 14391 1 21 . 1 1 81 81 MET CA C 81 52.889 52.889 54.877 -1.988 25124 14392 1 21 . 1 1 81 81 MET CB C 81 36.663 36.663 34.908 1.754 25124 14393 1 21 . 1 1 81 81 MET H H 81 9.028 9.028 8.432 0.596 25124 14394 1 21 . 1 1 82 82 THR N N 82 108.434 108.434 118.464 -10.030 25124 14395 1 21 . 1 1 82 82 THR HA H 82 5.134 5.134 4.912 0.222 25124 14396 1 21 . 1 1 82 82 THR C C 82 172.550 172.550 172.364 0.186 25124 14397 1 21 . 1 1 82 82 THR CA C 82 60.642 60.642 60.853 -0.211 25124 14398 1 21 . 1 1 82 82 THR CB C 82 68.843 68.843 70.837 -1.994 25124 14399 1 21 . 1 1 82 82 THR H H 82 7.098 7.098 8.002 -0.904 25124 14400 1 21 . 1 1 83 83 ALA N N 83 128.991 128.991 122.961 6.030 25124 14401 1 21 . 1 1 83 83 ALA HA H 83 4.678 4.678 4.794 -0.116 25124 14402 1 21 . 1 1 83 83 ALA C C 83 177.812 177.812 178.391 -0.579 25124 14403 1 21 . 1 1 83 83 ALA CA C 83 52.457 52.457 51.322 1.135 25124 14404 1 21 . 1 1 83 83 ALA CB C 83 19.396 19.396 20.307 -0.911 25124 14405 1 21 . 1 1 83 83 ALA H H 83 8.590 8.590 8.395 0.195 25124 14406 1 21 . 1 1 84 84 HIS N N 84 121.904 121.904 115.213 6.691 25124 14407 1 21 . 1 1 84 84 HIS HA H 84 4.576 4.576 4.473 0.103 25124 14408 1 21 . 1 1 84 84 HIS C C 84 175.512 175.512 177.388 -1.876 25124 14409 1 21 . 1 1 84 84 HIS CA C 84 56.674 56.674 57.302 -0.628 25124 14410 1 21 . 1 1 84 84 HIS CB C 84 29.589 29.589 29.593 -0.004 25124 14411 1 21 . 1 1 84 84 HIS H H 84 8.865 8.865 8.942 -0.077 25124 14412 1 21 . 1 1 85 85 SER N N 85 114.679 114.679 115.421 -0.742 25124 14413 1 21 . 1 1 85 85 SER HA H 85 4.303 4.303 3.962 0.341 25124 14414 1 21 . 1 1 85 85 SER C C 85 174.560 174.560 174.703 -0.143 25124 14415 1 21 . 1 1 85 85 SER CA C 85 58.970 58.970 60.414 -1.444 25124 14416 1 21 . 1 1 85 85 SER CB C 85 62.829 62.829 63.330 -0.501 25124 14417 1 21 . 1 1 85 85 SER H H 85 8.016 8.016 8.363 -0.347 25124 14418 1 21 . 1 1 86 86 ASP N N 86 122.325 122.325 118.289 4.036 25124 14419 1 21 . 1 1 86 86 ASP HA H 86 4.761 4.761 4.746 0.015 25124 14420 1 21 . 1 1 86 86 ASP C C 86 176.094 176.094 174.727 1.367 25124 14421 1 21 . 1 1 86 86 ASP CA C 86 53.627 53.627 53.643 -0.016 25124 14422 1 21 . 1 1 86 86 ASP CB C 86 40.942 40.942 40.504 0.438 25124 14423 1 21 . 1 1 86 86 ASP H H 86 8.054 8.054 7.622 0.432 25124 14424 1 21 . 1 1 87 87 LEU N N 87 122.041 122.041 122.409 -0.368 25124 14425 1 21 . 1 1 87 87 LEU HA H 87 4.069 4.069 4.108 -0.039 25124 14426 1 21 . 1 1 87 87 LEU C C 87 177.892 177.892 177.824 0.068 25124 14427 1 21 . 1 1 87 87 LEU CA C 87 57.182 57.182 56.722 0.460 25124 14428 1 21 . 1 1 87 87 LEU CB C 87 42.015 42.015 42.477 -0.462 25124 14429 1 21 . 1 1 87 87 LEU H H 87 8.005 8.005 7.365 0.640 25124 14430 1 21 . 1 1 88 88 ASP N N 88 118.050 118.050 120.284 -2.234 25124 14431 1 21 . 1 1 88 88 ASP HA H 88 4.370 4.370 4.300 0.070 25124 14432 1 21 . 1 1 88 88 ASP C C 88 178.103 178.103 177.404 0.699 25124 14433 1 21 . 1 1 88 88 ASP CA C 88 56.342 56.342 56.817 -0.475 25124 14434 1 21 . 1 1 88 88 ASP CB C 88 40.280 40.280 40.314 -0.034 25124 14435 1 21 . 1 1 88 88 ASP H H 88 8.243 8.243 8.555 -0.312 25124 14436 1 21 . 1 1 89 89 ALA N N 89 122.780 122.780 120.458 2.322 25124 14437 1 21 . 1 1 89 89 ALA HA H 89 4.038 4.038 4.035 0.003 25124 14438 1 21 . 1 1 89 89 ALA C C 89 178.526 178.526 178.638 -0.112 25124 14439 1 21 . 1 1 89 89 ALA CA C 89 54.655 54.655 54.204 0.451 25124 14440 1 21 . 1 1 89 89 ALA CB C 89 18.809 18.809 18.382 0.427 25124 14441 1 21 . 1 1 89 89 ALA H H 89 7.890 7.890 7.637 0.253 25124 14442 1 21 . 1 1 90 90 ALA N N 90 120.040 120.040 121.307 -1.267 25124 14443 1 21 . 1 1 90 90 ALA HA H 90 3.254 3.254 3.783 -0.529 25124 14444 1 21 . 1 1 90 90 ALA C C 90 178.976 178.976 179.434 -0.458 25124 14445 1 21 . 1 1 90 90 ALA CA C 90 55.050 55.050 54.888 0.162 25124 14446 1 21 . 1 1 90 90 ALA CB C 90 17.725 17.725 17.922 -0.197 25124 14447 1 21 . 1 1 90 90 ALA H H 90 7.513 7.513 7.729 -0.216 25124 14448 1 21 . 1 1 91 91 VAL N N 91 116.635 116.635 117.383 -0.748 25124 14449 1 21 . 1 1 91 91 VAL HA H 91 3.637 3.637 4.120 -0.483 25124 14450 1 21 . 1 1 91 91 VAL C C 91 178.632 178.632 178.078 0.554 25124 14451 1 21 . 1 1 91 91 VAL CA C 91 65.971 65.971 64.379 1.591 25124 14452 1 21 . 1 1 91 91 VAL CB C 91 31.623 31.623 31.118 0.505 25124 14453 1 21 . 1 1 91 91 VAL H H 91 7.877 7.877 7.311 0.566 25124 14454 1 21 . 1 1 92 92 SER N N 92 115.439 115.439 116.489 -1.050 25124 14455 1 21 . 1 1 92 92 SER HA H 92 4.215 4.215 4.062 0.153 25124 14456 1 21 . 1 1 92 92 SER C C 92 175.961 175.961 176.722 -0.761 25124 14457 1 21 . 1 1 92 92 SER CA C 92 61.401 61.401 61.929 -0.528 25124 14458 1 21 . 1 1 92 92 SER CB C 92 62.966 62.966 62.814 0.152 25124 14459 1 21 . 1 1 92 92 SER H H 92 7.912 7.912 7.565 0.347 25124 14460 1 21 . 1 1 93 93 ALA N N 93 122.647 122.647 123.543 -0.896 25124 14461 1 21 . 1 1 93 93 ALA HA H 93 3.786 3.786 3.980 -0.194 25124 14462 1 21 . 1 1 93 93 ALA C C 93 179.293 179.293 179.733 -0.440 25124 14463 1 21 . 1 1 93 93 ALA CA C 93 55.172 55.172 54.853 0.319 25124 14464 1 21 . 1 1 93 93 ALA CB C 93 17.161 17.161 17.934 -0.773 25124 14465 1 21 . 1 1 93 93 ALA H H 93 8.199 8.199 8.252 -0.053 25124 14466 1 21 . 1 1 94 94 TYR N N 94 117.796 117.796 118.132 -0.336 25124 14467 1 21 . 1 1 94 94 TYR HA H 94 4.283 4.283 4.176 0.107 25124 14468 1 21 . 1 1 94 94 TYR C C 94 179.954 179.954 178.776 1.178 25124 14469 1 21 . 1 1 94 94 TYR CA C 94 61.216 61.216 61.294 -0.078 25124 14470 1 21 . 1 1 94 94 TYR CB C 94 37.716 37.716 37.923 -0.207 25124 14471 1 21 . 1 1 94 94 TYR H H 94 8.065 8.065 7.471 0.594 25124 14472 1 21 . 1 1 95 95 GLN N N 95 120.057 120.057 116.803 3.254 25124 14473 1 21 . 1 1 95 95 GLN HA H 95 4.005 4.005 4.145 -0.140 25124 14474 1 21 . 1 1 95 95 GLN C C 95 177.680 177.680 177.531 0.149 25124 14475 1 21 . 1 1 95 95 GLN CA C 95 58.471 58.471 58.055 0.416 25124 14476 1 21 . 1 1 95 95 GLN CB C 95 28.334 28.334 28.582 -0.248 25124 14477 1 21 . 1 1 95 95 GLN H H 95 8.513 8.513 7.903 0.610 25124 14478 1 21 . 1 1 96 96 GLN N N 96 115.323 115.323 117.124 -1.801 25124 14479 1 21 . 1 1 96 96 GLN HA H 96 4.321 4.321 4.333 -0.012 25124 14480 1 21 . 1 1 96 96 GLN C C 96 175.538 175.538 176.273 -0.735 25124 14481 1 21 . 1 1 96 96 GLN CA C 96 55.379 55.379 56.294 -0.915 25124 14482 1 21 . 1 1 96 96 GLN CB C 96 28.915 28.915 29.883 -0.968 25124 14483 1 21 . 1 1 96 96 GLN H H 96 7.774 7.774 7.853 -0.079 25124 14484 1 21 . 1 1 97 97 GLY N N 97 104.173 104.173 106.086 -1.913 25124 14485 1 21 . 1 1 97 97 GLY C C 97 175.168 175.168 173.059 2.109 25124 14486 1 21 . 1 1 97 97 GLY CA C 97 45.491 45.491 44.734 0.757 25124 14487 1 21 . 1 1 97 97 GLY H H 97 7.576 7.576 7.705 -0.129 25124 14488 1 21 . 1 1 98 98 ALA N N 98 123.484 123.484 120.794 2.690 25124 14489 1 21 . 1 1 98 98 ALA HA H 98 4.266 4.266 4.631 -0.365 25124 14490 1 21 . 1 1 98 98 ALA C C 98 176.067 176.067 176.334 -0.267 25124 14491 1 21 . 1 1 98 98 ALA CA C 98 53.008 53.008 50.874 2.134 25124 14492 1 21 . 1 1 98 98 ALA CB C 98 18.556 18.556 20.550 -1.994 25124 14493 1 21 . 1 1 98 98 ALA H H 98 8.358 8.358 7.495 0.863 25124 14494 1 21 . 1 1 99 99 PHE N N 99 123.551 123.551 120.790 2.761 25124 14495 1 21 . 1 1 99 99 PHE HA H 99 4.259 4.259 4.653 -0.394 25124 14496 1 21 . 1 1 99 99 PHE C C 99 175.432 175.432 175.490 -0.058 25124 14497 1 21 . 1 1 99 99 PHE CA C 99 60.274 60.274 59.904 0.370 25124 14498 1 21 . 1 1 99 99 PHE CB C 99 40.375 40.375 40.779 -0.404 25124 14499 1 21 . 1 1 99 99 PHE H H 99 9.477 9.477 8.449 1.028 25124 14500 1 21 . 1 1 100 100 ASP N N 100 110.678 110.678 114.414 -3.736 25124 14501 1 21 . 1 1 100 100 ASP HA H 100 4.547 4.547 5.031 -0.484 25124 14502 1 21 . 1 1 100 100 ASP C C 100 173.053 173.053 173.866 -0.813 25124 14503 1 21 . 1 1 100 100 ASP CA C 100 52.527 52.527 54.103 -1.576 25124 14504 1 21 . 1 1 100 100 ASP CB C 100 44.789 44.789 44.251 0.538 25124 14505 1 21 . 1 1 100 100 ASP H H 100 7.683 7.683 7.943 -0.260 25124 14506 1 21 . 1 1 101 101 TYR N N 101 122.174 122.174 121.540 0.634 25124 14507 1 21 . 1 1 101 101 TYR HA H 101 5.425 5.425 5.195 0.230 25124 14508 1 21 . 1 1 101 101 TYR C C 101 172.550 172.550 174.596 -2.046 25124 14509 1 21 . 1 1 101 101 TYR CA C 101 55.865 55.865 56.236 -0.371 25124 14510 1 21 . 1 1 101 101 TYR CB C 101 41.760 41.760 39.593 2.167 25124 14511 1 21 . 1 1 101 101 TYR H H 101 9.874 9.874 8.339 1.535 25124 14512 1 21 . 1 1 102 102 LEU N N 102 129.337 129.337 130.897 -1.560 25124 14513 1 21 . 1 1 102 102 LEU HA H 102 4.677 4.677 4.625 0.052 25124 14514 1 21 . 1 1 102 102 LEU CA C 102 50.418 50.418 51.002 -0.584 25124 14515 1 21 . 1 1 102 102 LEU CB C 102 45.066 45.066 42.636 2.430 25124 14516 1 21 . 1 1 102 102 LEU H H 102 8.974 8.974 8.085 0.889 25124 14517 1 21 . 1 1 103 103 PRO HA H 103 4.552 4.552 4.426 0.126 25124 14518 1 21 . 1 1 103 103 PRO C C 103 176.067 176.067 175.528 0.539 25124 14519 1 21 . 1 1 103 103 PRO CA C 103 61.951 61.951 62.324 -0.373 25124 14520 1 21 . 1 1 103 103 PRO CB C 103 31.829 31.829 32.312 -0.483 25124 14521 1 21 . 1 1 104 104 LYS N N 104 118.403 118.403 119.812 -1.409 25124 14522 1 21 . 1 1 104 104 LYS HA H 104 4.459 4.459 5.056 -0.597 25124 14523 1 21 . 1 1 104 104 LYS CA C 104 53.204 53.204 53.286 -0.082 25124 14524 1 21 . 1 1 104 104 LYS CB C 104 34.500 34.500 31.961 2.539 25124 14525 1 21 . 1 1 104 104 LYS H H 104 8.013 8.013 8.180 -0.167 25124 14526 1 21 . 1 1 105 105 PRO HA H 105 4.258 4.258 4.520 -0.262 25124 14527 1 21 . 1 1 105 105 PRO C C 105 174.930 174.930 176.063 -1.133 25124 14528 1 21 . 1 1 105 105 PRO CA C 105 62.213 62.213 63.096 -0.883 25124 14529 1 21 . 1 1 105 105 PRO CB C 105 34.151 34.151 31.930 2.221 25124 14530 1 21 . 1 1 106 106 PHE N N 106 116.796 116.796 120.228 -3.432 25124 14531 1 21 . 1 1 106 106 PHE HA H 106 5.169 5.169 4.786 0.383 25124 14532 1 21 . 1 1 106 106 PHE C C 106 175.194 175.194 174.691 0.503 25124 14533 1 21 . 1 1 106 106 PHE CA C 106 53.244 53.244 55.496 -2.252 25124 14534 1 21 . 1 1 106 106 PHE CB C 106 40.477 40.477 41.008 -0.531 25124 14535 1 21 . 1 1 106 106 PHE H H 106 7.399 7.399 7.573 -0.174 25124 14536 1 21 . 1 1 107 107 ASP N N 107 122.212 122.212 122.575 -0.363 25124 14537 1 21 . 1 1 107 107 ASP HA H 107 4.823 4.823 4.918 -0.095 25124 14538 1 21 . 1 1 107 107 ASP C C 107 177.812 177.812 177.226 0.586 25124 14539 1 21 . 1 1 107 107 ASP CA C 107 53.392 53.392 53.594 -0.202 25124 14540 1 21 . 1 1 107 107 ASP CB C 107 42.455 42.455 41.311 1.144 25124 14541 1 21 . 1 1 107 107 ASP H H 107 9.047 9.047 8.591 0.456 25124 14542 1 21 . 1 1 108 108 ILE N N 108 127.963 127.963 122.637 5.326 25124 14543 1 21 . 1 1 108 108 ILE HA H 108 3.949 3.949 3.902 0.047 25124 14544 1 21 . 1 1 108 108 ILE C C 108 176.226 176.226 176.853 -0.627 25124 14545 1 21 . 1 1 108 108 ILE CA C 108 63.105 63.105 63.978 -0.873 25124 14546 1 21 . 1 1 108 108 ILE CB C 108 37.665 37.665 37.143 0.522 25124 14547 1 21 . 1 1 108 108 ILE H H 108 8.898 8.898 8.459 0.439 25124 14548 1 21 . 1 1 109 109 ASP N N 109 119.804 119.804 121.061 -1.257 25124 14549 1 21 . 1 1 109 109 ASP HA H 109 4.393 4.393 4.329 0.064 25124 14550 1 21 . 1 1 109 109 ASP C C 109 179.848 179.848 179.006 0.842 25124 14551 1 21 . 1 1 109 109 ASP CA C 109 57.483 57.483 58.311 -0.828 25124 14552 1 21 . 1 1 109 109 ASP CB C 109 39.986 39.986 40.240 -0.254 25124 14553 1 21 . 1 1 109 109 ASP H H 109 8.098 8.098 8.561 -0.463 25124 14554 1 21 . 1 1 110 110 GLU N N 110 121.667 121.667 118.784 2.883 25124 14555 1 21 . 1 1 110 110 GLU HA H 110 4.085 4.085 4.298 -0.213 25124 14556 1 21 . 1 1 110 110 GLU C C 110 178.976 178.976 178.233 0.743 25124 14557 1 21 . 1 1 110 110 GLU CA C 110 58.790 58.790 57.952 0.838 25124 14558 1 21 . 1 1 110 110 GLU CB C 110 29.330 29.330 30.085 -0.755 25124 14559 1 21 . 1 1 110 110 GLU H H 110 8.059 8.059 8.124 -0.066 25124 14560 1 21 . 1 1 111 111 ALA N N 111 122.208 122.208 123.582 -1.374 25124 14561 1 21 . 1 1 111 111 ALA HA H 111 3.758 3.758 4.124 -0.366 25124 14562 1 21 . 1 1 111 111 ALA C C 111 178.605 178.605 179.629 -1.024 25124 14563 1 21 . 1 1 111 111 ALA CA C 111 55.320 55.320 55.223 0.097 25124 14564 1 21 . 1 1 111 111 ALA CB C 111 18.174 18.174 18.537 -0.363 25124 14565 1 21 . 1 1 111 111 ALA H H 111 7.903 7.903 7.571 0.332 25124 14566 1 21 . 1 1 112 112 VAL N N 112 116.429 116.429 118.585 -2.156 25124 14567 1 21 . 1 1 112 112 VAL HA H 112 3.194 3.194 3.616 -0.422 25124 14568 1 21 . 1 1 112 112 VAL C C 112 177.230 177.230 177.844 -0.614 25124 14569 1 21 . 1 1 112 112 VAL CA C 112 67.154 67.154 66.614 0.540 25124 14570 1 21 . 1 1 112 112 VAL CB C 112 31.538 31.538 31.120 0.418 25124 14571 1 21 . 1 1 112 112 VAL H H 112 8.032 8.032 8.603 -0.571 25124 14572 1 21 . 1 1 113 113 ALA N N 113 120.198 120.198 120.292 -0.094 25124 14573 1 21 . 1 1 113 113 ALA HA H 113 4.159 4.159 4.282 -0.123 25124 14574 1 21 . 1 1 113 113 ALA C C 113 180.589 180.589 179.304 1.285 25124 14575 1 21 . 1 1 113 113 ALA CA C 113 54.902 54.902 54.306 0.596 25124 14576 1 21 . 1 1 113 113 ALA CB C 113 17.980 17.980 18.681 -0.701 25124 14577 1 21 . 1 1 113 113 ALA H H 113 7.723 7.723 7.719 0.004 25124 14578 1 21 . 1 1 114 114 LEU N N 114 120.742 120.742 120.080 0.662 25124 14579 1 21 . 1 1 114 114 LEU HA H 114 4.102 4.102 4.230 -0.128 25124 14580 1 21 . 1 1 114 114 LEU C C 114 178.605 178.605 178.251 0.354 25124 14581 1 21 . 1 1 114 114 LEU CA C 114 58.181 58.181 57.268 0.913 25124 14582 1 21 . 1 1 114 114 LEU CB C 114 42.032 42.032 42.108 -0.076 25124 14583 1 21 . 1 1 114 114 LEU H H 114 7.928 7.928 7.472 0.456 25124 14584 1 21 . 1 1 115 115 VAL N N 115 119.478 119.478 119.469 0.009 25124 14585 1 21 . 1 1 115 115 VAL HA H 115 3.250 3.250 3.583 -0.333 25124 14586 1 21 . 1 1 115 115 VAL C C 115 177.548 177.548 178.149 -0.601 25124 14587 1 21 . 1 1 115 115 VAL CA C 115 67.168 67.168 65.984 1.184 25124 14588 1 21 . 1 1 115 115 VAL CB C 115 30.760 30.760 30.908 -0.148 25124 14589 1 21 . 1 1 115 115 VAL H H 115 7.846 7.846 8.250 -0.404 25124 14590 1 21 . 1 1 116 116 GLU N N 116 117.570 117.570 117.293 0.277 25124 14591 1 21 . 1 1 116 116 GLU HA H 116 3.809 3.809 4.040 -0.231 25124 14592 1 21 . 1 1 116 116 GLU C C 116 179.557 179.557 178.662 0.895 25124 14593 1 21 . 1 1 116 116 GLU CA C 116 59.974 59.974 58.654 1.320 25124 14594 1 21 . 1 1 116 116 GLU CB C 116 29.084 29.084 29.041 0.043 25124 14595 1 21 . 1 1 116 116 GLU H H 116 8.462 8.462 8.105 0.357 25124 14596 1 21 . 1 1 117 117 ARG N N 117 120.263 120.263 119.940 0.323 25124 14597 1 21 . 1 1 117 117 ARG HA H 117 4.109 4.109 4.104 0.005 25124 14598 1 21 . 1 1 117 117 ARG C C 117 178.500 178.500 178.016 0.484 25124 14599 1 21 . 1 1 117 117 ARG CA C 117 59.411 59.411 59.451 -0.040 25124 14600 1 21 . 1 1 117 117 ARG CB C 117 30.414 30.414 30.138 0.276 25124 14601 1 21 . 1 1 117 117 ARG H H 117 8.090 8.090 7.550 0.540 25124 14602 1 21 . 1 1 118 118 ALA N N 118 122.157 122.157 119.190 2.967 25124 14603 1 21 . 1 1 118 118 ALA HA H 118 3.467 3.467 4.368 -0.901 25124 14604 1 21 . 1 1 118 118 ALA C C 118 178.632 178.632 179.735 -1.103 25124 14605 1 21 . 1 1 118 118 ALA CA C 118 54.739 54.739 53.858 0.881 25124 14606 1 21 . 1 1 118 118 ALA CB C 118 18.280 18.280 18.662 -0.382 25124 14607 1 21 . 1 1 118 118 ALA H H 118 8.005 8.005 7.197 0.808 25124 14608 1 21 . 1 1 119 119 ILE N N 119 115.429 115.429 119.533 -4.104 25124 14609 1 21 . 1 1 119 119 ILE HA H 119 3.706 3.706 3.770 -0.064 25124 14610 1 21 . 1 1 119 119 ILE C C 119 177.442 177.442 177.636 -0.194 25124 14611 1 21 . 1 1 119 119 ILE CA C 119 63.910 63.910 64.667 -0.757 25124 14612 1 21 . 1 1 119 119 ILE CB C 119 37.939 37.939 37.728 0.211 25124 14613 1 21 . 1 1 119 119 ILE H H 119 7.788 7.788 7.455 0.333 25124 14614 1 21 . 1 1 120 120 SER N N 120 114.902 114.902 113.129 1.773 25124 14615 1 21 . 1 1 120 120 SER HA H 120 4.285 4.285 4.154 0.131 25124 14616 1 21 . 1 1 120 120 SER C C 120 175.142 175.142 176.290 -1.148 25124 14617 1 21 . 1 1 120 120 SER CA C 120 59.871 59.871 61.245 -1.374 25124 14618 1 21 . 1 1 120 120 SER CB C 120 63.522 63.522 63.126 0.396 25124 14619 1 21 . 1 1 120 120 SER H H 120 7.881 7.881 8.355 -0.474 25124 14620 1 21 . 1 1 121 121 HIS N N 121 119.927 119.927 120.761 -0.834 25124 14621 1 21 . 1 1 121 121 HIS HA H 121 4.439 4.439 4.405 0.034 25124 14622 1 21 . 1 1 121 121 HIS C C 121 174.957 174.957 176.170 -1.213 25124 14623 1 21 . 1 1 121 121 HIS CA C 121 57.362 57.362 58.903 -1.541 25124 14624 1 21 . 1 1 121 121 HIS CB C 121 29.496 29.496 30.456 -0.960 25124 14625 1 21 . 1 1 121 121 HIS H H 121 7.960 7.960 8.054 -0.094 25124 14626 1 21 . 1 1 122 122 TYR N N 122 118.745 118.745 114.200 4.545 25124 14627 1 21 . 1 1 122 122 TYR HA H 122 4.455 4.455 4.851 -0.396 25124 14628 1 21 . 1 1 122 122 TYR C C 122 175.353 175.353 174.537 0.816 25124 14629 1 21 . 1 1 122 122 TYR CA C 122 58.528 58.528 56.043 2.485 25124 14630 1 21 . 1 1 122 122 TYR CB C 122 38.726 38.726 38.677 0.049 25124 14631 1 21 . 1 1 122 122 TYR H H 122 7.776 7.776 7.628 0.148 25124 14632 1 21 . 1 1 123 123 GLN N N 123 121.424 121.424 118.121 3.303 25124 14633 1 21 . 1 1 123 123 GLN HA H 123 4.294 4.294 3.719 0.575 25124 14634 1 21 . 1 1 123 123 GLN C C 123 174.560 174.560 173.921 0.639 25124 14635 1 21 . 1 1 123 123 GLN CA C 123 55.658 55.658 57.116 -1.458 25124 14636 1 21 . 1 1 123 123 GLN CB C 123 29.877 29.877 28.989 0.888 25124 14637 1 21 . 1 1 123 123 GLN H H 123 7.904 7.904 7.189 0.715 25124 14638 1 22 . 1 1 2 2 GLN HA H 2 4.453 4.453 4.619 -0.166 25124 14639 1 22 . 1 1 2 2 GLN C C 2 174.930 174.930 174.429 0.501 25124 14640 1 22 . 1 1 2 2 GLN CA C 2 55.627 55.627 55.348 0.279 25124 14641 1 22 . 1 1 2 2 GLN CB C 2 29.312 29.312 29.111 0.201 25124 14642 1 22 . 1 1 3 3 ARG N N 3 121.349 121.349 124.920 -3.571 25124 14643 1 22 . 1 1 3 3 ARG HA H 3 4.390 4.390 4.377 0.013 25124 14644 1 22 . 1 1 3 3 ARG C C 3 175.723 175.723 174.411 1.312 25124 14645 1 22 . 1 1 3 3 ARG CA C 3 56.041 56.041 56.405 -0.364 25124 14646 1 22 . 1 1 3 3 ARG CB C 3 31.395 31.395 31.849 -0.454 25124 14647 1 22 . 1 1 3 3 ARG H H 3 8.451 8.451 8.276 0.175 25124 14648 1 22 . 1 1 4 4 GLY N N 4 107.889 107.889 110.504 -2.615 25124 14649 1 22 . 1 1 4 4 GLY C C 4 171.122 171.122 172.827 -1.705 25124 14650 1 22 . 1 1 4 4 GLY CA C 4 45.333 45.333 44.772 0.561 25124 14651 1 22 . 1 1 4 4 GLY H H 4 8.037 8.037 8.190 -0.153 25124 14652 1 22 . 1 1 5 5 ILE N N 5 122.674 122.674 120.775 1.899 25124 14653 1 22 . 1 1 5 5 ILE HA H 5 4.731 4.731 3.946 0.785 25124 14654 1 22 . 1 1 5 5 ILE C C 5 175.459 175.459 174.942 0.517 25124 14655 1 22 . 1 1 5 5 ILE CA C 5 60.614 60.614 62.280 -1.666 25124 14656 1 22 . 1 1 5 5 ILE CB C 5 39.535 39.535 38.053 1.482 25124 14657 1 22 . 1 1 5 5 ILE H H 5 9.605 9.605 8.121 1.484 25124 14658 1 22 . 1 1 6 6 VAL N N 6 127.532 127.532 126.527 1.005 25124 14659 1 22 . 1 1 6 6 VAL HA H 6 4.892 4.892 4.426 0.466 25124 14660 1 22 . 1 1 6 6 VAL C C 6 174.110 174.110 174.686 -0.576 25124 14661 1 22 . 1 1 6 6 VAL CA C 6 59.255 59.255 60.781 -1.526 25124 14662 1 22 . 1 1 6 6 VAL CB C 6 34.530 34.530 32.127 2.403 25124 14663 1 22 . 1 1 6 6 VAL H H 6 9.135 9.135 8.119 1.016 25124 14664 1 22 . 1 1 7 7 TRP N N 7 127.409 127.409 128.920 -1.511 25124 14665 1 22 . 1 1 7 7 TRP HA H 7 6.447 6.447 5.226 1.221 25124 14666 1 22 . 1 1 7 7 TRP C C 7 175.089 175.089 175.085 0.004 25124 14667 1 22 . 1 1 7 7 TRP CA C 7 52.797 52.797 54.247 -1.450 25124 14668 1 22 . 1 1 7 7 TRP CB C 7 33.255 33.255 31.082 2.173 25124 14669 1 22 . 1 1 7 7 TRP H H 7 8.544 8.544 8.159 0.385 25124 14670 1 22 . 1 1 8 8 VAL N N 8 122.270 122.270 124.680 -2.410 25124 14671 1 22 . 1 1 8 8 VAL HA H 8 5.135 5.135 4.558 0.577 25124 14672 1 22 . 1 1 8 8 VAL C C 8 173.820 173.820 174.268 -0.448 25124 14673 1 22 . 1 1 8 8 VAL CA C 8 60.457 60.457 60.948 -0.491 25124 14674 1 22 . 1 1 8 8 VAL CB C 8 35.893 35.893 33.291 2.602 25124 14675 1 22 . 1 1 8 8 VAL H H 8 8.643 8.643 8.582 0.061 25124 14676 1 22 . 1 1 9 9 VAL N N 9 126.806 126.806 128.100 -1.294 25124 14677 1 22 . 1 1 9 9 VAL HA H 9 5.192 5.192 4.502 0.690 25124 14678 1 22 . 1 1 9 9 VAL C C 9 172.550 172.550 173.877 -1.327 25124 14679 1 22 . 1 1 9 9 VAL CA C 9 58.384 58.384 60.591 -2.207 25124 14680 1 22 . 1 1 9 9 VAL CB C 9 34.135 34.135 32.373 1.762 25124 14681 1 22 . 1 1 9 9 VAL H H 9 9.113 9.113 7.944 1.169 25124 14682 1 22 . 1 1 10 10 ASP N N 10 125.011 125.011 126.247 -1.236 25124 14683 1 22 . 1 1 10 10 ASP HA H 10 4.554 4.554 4.813 -0.259 25124 14684 1 22 . 1 1 10 10 ASP C C 10 174.877 174.877 173.988 0.889 25124 14685 1 22 . 1 1 10 10 ASP CA C 10 55.066 55.066 53.099 1.967 25124 14686 1 22 . 1 1 10 10 ASP CB C 10 44.131 44.131 43.576 0.555 25124 14687 1 22 . 1 1 10 10 ASP H H 10 7.881 7.881 8.130 -0.249 25124 14688 1 22 . 1 1 11 11 ASP N N 11 124.048 124.048 119.532 4.516 25124 14689 1 22 . 1 1 11 11 ASP HA H 11 4.613 4.613 4.754 -0.141 25124 14690 1 22 . 1 1 11 11 ASP C C 11 175.089 175.089 174.949 0.140 25124 14691 1 22 . 1 1 11 11 ASP CA C 11 55.346 55.346 53.363 1.983 25124 14692 1 22 . 1 1 11 11 ASP CB C 11 39.583 39.583 40.601 -1.018 25124 14693 1 22 . 1 1 11 11 ASP H H 11 9.166 9.166 8.543 0.623 25124 14694 1 22 . 1 1 12 12 ASP N N 12 125.165 125.165 122.189 2.976 25124 14695 1 22 . 1 1 12 12 ASP HA H 12 4.757 4.757 4.847 -0.090 25124 14696 1 22 . 1 1 12 12 ASP C C 12 176.993 176.993 176.018 0.975 25124 14697 1 22 . 1 1 12 12 ASP CA C 12 53.112 53.112 54.172 -1.060 25124 14698 1 22 . 1 1 12 12 ASP CB C 12 41.072 41.072 43.877 -2.805 25124 14699 1 22 . 1 1 12 12 ASP H H 12 10.290 10.290 7.772 2.518 25124 14700 1 22 . 1 1 13 13 SER N N 13 123.818 123.818 119.858 3.960 25124 14701 1 22 . 1 1 13 13 SER HA H 13 3.719 3.719 4.325 -0.606 25124 14702 1 22 . 1 1 13 13 SER C C 13 176.146 176.146 175.741 0.405 25124 14703 1 22 . 1 1 13 13 SER CA C 13 61.341 61.341 60.893 0.448 25124 14704 1 22 . 1 1 13 13 SER CB C 13 62.638 62.638 63.809 -1.171 25124 14705 1 22 . 1 1 13 13 SER H H 13 8.993 8.993 8.764 0.229 25124 14706 1 22 . 1 1 14 14 SER N N 14 118.714 118.714 117.656 1.058 25124 14707 1 22 . 1 1 14 14 SER HA H 14 4.322 4.322 4.349 -0.027 25124 14708 1 22 . 1 1 14 14 SER C C 14 176.411 176.411 175.919 0.492 25124 14709 1 22 . 1 1 14 14 SER CA C 14 61.717 61.717 61.309 0.407 25124 14710 1 22 . 1 1 14 14 SER CB C 14 62.554 62.554 63.092 -0.538 25124 14711 1 22 . 1 1 14 14 SER H H 14 8.499 8.499 7.731 0.768 25124 14712 1 22 . 1 1 15 15 ILE N N 15 122.822 122.822 119.565 3.257 25124 14713 1 22 . 1 1 15 15 ILE HA H 15 3.972 3.972 3.814 0.158 25124 14714 1 22 . 1 1 15 15 ILE C C 15 177.786 177.786 178.195 -0.409 25124 14715 1 22 . 1 1 15 15 ILE CA C 15 60.784 60.784 63.285 -2.502 25124 14716 1 22 . 1 1 15 15 ILE CB C 15 36.016 36.016 36.530 -0.514 25124 14717 1 22 . 1 1 15 15 ILE H H 15 7.011 7.011 7.769 -0.758 25124 14718 1 22 . 1 1 16 16 ARG N N 16 116.580 116.580 118.763 -2.183 25124 14719 1 22 . 1 1 16 16 ARG HA H 16 3.711 3.711 4.126 -0.415 25124 14720 1 22 . 1 1 16 16 ARG C C 16 177.336 177.336 178.484 -1.148 25124 14721 1 22 . 1 1 16 16 ARG CA C 16 61.632 61.632 59.597 2.035 25124 14722 1 22 . 1 1 16 16 ARG CB C 16 30.520 30.520 30.555 -0.035 25124 14723 1 22 . 1 1 16 16 ARG H H 16 7.370 7.370 7.594 -0.224 25124 14724 1 22 . 1 1 17 17 TRP N N 17 116.893 116.893 122.459 -5.566 25124 14725 1 22 . 1 1 17 17 TRP HA H 17 4.481 4.481 4.401 0.080 25124 14726 1 22 . 1 1 17 17 TRP C C 17 178.394 178.394 177.870 0.524 25124 14727 1 22 . 1 1 17 17 TRP CA C 17 60.482 60.482 61.366 -0.884 25124 14728 1 22 . 1 1 17 17 TRP CB C 17 29.372 29.372 29.531 -0.159 25124 14729 1 22 . 1 1 17 17 TRP H H 17 8.020 8.020 8.105 -0.085 25124 14730 1 22 . 1 1 18 18 VAL N N 18 116.799 116.799 117.507 -0.708 25124 14731 1 22 . 1 1 18 18 VAL HA H 18 3.662 3.662 2.688 0.974 25124 14732 1 22 . 1 1 18 18 VAL C C 18 179.161 179.161 177.667 1.494 25124 14733 1 22 . 1 1 18 18 VAL CA C 18 65.858 65.858 65.370 0.489 25124 14734 1 22 . 1 1 18 18 VAL CB C 18 31.792 31.792 30.229 1.563 25124 14735 1 22 . 1 1 18 18 VAL H H 18 8.085 8.085 8.544 -0.459 25124 14736 1 22 . 1 1 19 19 LEU N N 19 119.595 119.595 120.665 -1.070 25124 14737 1 22 . 1 1 19 19 LEU HA H 19 4.083 4.083 3.801 0.282 25124 14738 1 22 . 1 1 19 19 LEU C C 19 177.759 177.759 178.653 -0.894 25124 14739 1 22 . 1 1 19 19 LEU CA C 19 57.971 57.971 57.853 0.118 25124 14740 1 22 . 1 1 19 19 LEU CB C 19 41.863 41.863 41.466 0.397 25124 14741 1 22 . 1 1 19 19 LEU H H 19 8.035 8.035 7.310 0.725 25124 14742 1 22 . 1 1 20 20 GLU N N 20 120.318 120.318 118.711 1.607 25124 14743 1 22 . 1 1 20 20 GLU HA H 20 4.007 4.007 3.775 0.232 25124 14744 1 22 . 1 1 20 20 GLU C C 20 178.500 178.500 179.029 -0.529 25124 14745 1 22 . 1 1 20 20 GLU CA C 20 60.567 60.567 59.512 1.055 25124 14746 1 22 . 1 1 20 20 GLU CB C 20 29.073 29.073 29.353 -0.280 25124 14747 1 22 . 1 1 20 20 GLU H H 20 8.417 8.417 7.567 0.850 25124 14748 1 22 . 1 1 21 21 ARG N N 21 115.981 115.981 117.852 -1.871 25124 14749 1 22 . 1 1 21 21 ARG HA H 21 3.898 3.898 3.883 0.015 25124 14750 1 22 . 1 1 21 21 ARG C C 21 179.769 179.769 177.979 1.790 25124 14751 1 22 . 1 1 21 21 ARG CA C 21 58.491 58.491 58.552 -0.061 25124 14752 1 22 . 1 1 21 21 ARG CB C 21 29.966 29.966 29.642 0.324 25124 14753 1 22 . 1 1 21 21 ARG H H 21 7.579 7.579 7.602 -0.023 25124 14754 1 22 . 1 1 22 22 ALA N N 22 122.267 122.267 121.280 0.987 25124 14755 1 22 . 1 1 22 22 ALA HA H 22 4.110 4.110 4.205 -0.095 25124 14756 1 22 . 1 1 22 22 ALA C C 22 180.456 180.456 179.625 0.831 25124 14757 1 22 . 1 1 22 22 ALA CA C 22 54.643 54.643 54.425 0.218 25124 14758 1 22 . 1 1 22 22 ALA CB C 22 19.225 19.225 18.664 0.561 25124 14759 1 22 . 1 1 22 22 ALA H H 22 7.933 7.933 7.585 0.348 25124 14760 1 22 . 1 1 23 23 LEU N N 23 118.139 118.139 119.988 -1.849 25124 14761 1 22 . 1 1 23 23 LEU HA H 23 4.005 4.005 3.835 0.170 25124 14762 1 22 . 1 1 23 23 LEU C C 23 178.843 178.843 179.207 -0.364 25124 14763 1 22 . 1 1 23 23 LEU CA C 23 57.765 57.765 58.027 -0.262 25124 14764 1 22 . 1 1 23 23 LEU CB C 23 39.919 39.919 41.246 -1.327 25124 14765 1 22 . 1 1 23 23 LEU H H 23 8.855 8.855 8.251 0.604 25124 14766 1 22 . 1 1 24 24 ALA N N 24 122.164 122.164 119.642 2.522 25124 14767 1 22 . 1 1 24 24 ALA HA H 24 4.665 4.665 4.077 0.588 25124 14768 1 22 . 1 1 24 24 ALA C C 24 183.206 183.206 179.596 3.610 25124 14769 1 22 . 1 1 24 24 ALA CA C 24 54.812 54.812 54.358 0.454 25124 14770 1 22 . 1 1 24 24 ALA CB C 24 17.820 17.820 18.401 -0.581 25124 14771 1 22 . 1 1 24 24 ALA H H 24 8.238 8.238 7.980 0.258 25124 14772 1 22 . 1 1 25 25 GLY N N 25 106.903 106.903 107.031 -0.128 25124 14773 1 22 . 1 1 25 25 GLY C C 25 174.375 174.375 175.457 -1.082 25124 14774 1 22 . 1 1 25 25 GLY CA C 25 46.550 46.550 45.711 0.839 25124 14775 1 22 . 1 1 25 25 GLY H H 25 7.907 7.907 7.242 0.665 25124 14776 1 22 . 1 1 26 26 ALA N N 26 121.832 121.832 122.215 -0.383 25124 14777 1 22 . 1 1 26 26 ALA HA H 26 4.505 4.505 4.359 0.146 25124 14778 1 22 . 1 1 26 26 ALA CA C 26 51.585 51.585 52.300 -0.715 25124 14779 1 22 . 1 1 26 26 ALA CB C 26 18.799 18.799 19.530 -0.731 25124 14780 1 22 . 1 1 26 26 ALA H H 26 7.316 7.316 8.228 -0.912 25124 14781 1 22 . 1 1 27 27 GLY N N 27 106.146 106.146 105.549 0.597 25124 14782 1 22 . 1 1 27 27 GLY C C 27 174.057 174.057 174.036 0.021 25124 14783 1 22 . 1 1 27 27 GLY CA C 27 45.333 45.333 44.910 0.423 25124 14784 1 22 . 1 1 27 27 GLY H H 27 7.868 7.868 8.188 -0.320 25124 14785 1 22 . 1 1 28 28 LEU N N 28 120.273 120.273 120.611 -0.338 25124 14786 1 22 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.130 0.445 25124 14787 1 22 . 1 1 28 28 LEU C C 28 175.988 175.988 177.179 -1.191 25124 14788 1 22 . 1 1 28 28 LEU CA C 28 53.881 53.881 54.963 -1.082 25124 14789 1 22 . 1 1 28 28 LEU CB C 28 42.540 42.540 42.080 0.460 25124 14790 1 22 . 1 1 28 28 LEU H H 28 7.659 7.659 7.531 0.128 25124 14791 1 22 . 1 1 29 29 THR N N 29 118.173 118.173 118.076 0.097 25124 14792 1 22 . 1 1 29 29 THR HA H 29 4.346 4.346 4.276 0.070 25124 14793 1 22 . 1 1 29 29 THR C C 29 173.344 173.344 173.393 -0.049 25124 14794 1 22 . 1 1 29 29 THR CA C 29 62.598 62.598 63.280 -0.682 25124 14795 1 22 . 1 1 29 29 THR CB C 29 69.423 69.423 69.271 0.152 25124 14796 1 22 . 1 1 29 29 THR H H 29 8.562 8.562 8.180 0.382 25124 14797 1 22 . 1 1 30 30 CYS N N 30 128.450 128.450 128.283 0.167 25124 14798 1 22 . 1 1 30 30 CYS HA H 30 6.012 6.012 4.727 1.285 25124 14799 1 22 . 1 1 30 30 CYS C C 30 173.978 173.978 173.843 0.135 25124 14800 1 22 . 1 1 30 30 CYS CA C 30 56.424 56.424 57.734 -1.310 25124 14801 1 22 . 1 1 30 30 CYS CB C 30 29.615 29.615 28.178 1.437 25124 14802 1 22 . 1 1 30 30 CYS H H 30 9.035 9.035 8.854 0.181 25124 14803 1 22 . 1 1 31 31 THR N N 31 126.377 126.377 124.854 1.523 25124 14804 1 22 . 1 1 31 31 THR HA H 31 4.442 4.442 4.604 -0.162 25124 14805 1 22 . 1 1 31 31 THR C C 31 172.683 172.683 172.535 0.148 25124 14806 1 22 . 1 1 31 31 THR CA C 31 61.956 61.956 61.648 0.308 25124 14807 1 22 . 1 1 31 31 THR CB C 31 70.624 70.624 72.190 -1.566 25124 14808 1 22 . 1 1 31 31 THR H H 31 8.510 8.510 8.605 -0.095 25124 14809 1 22 . 1 1 32 32 THR N N 32 115.988 115.988 113.110 2.878 25124 14810 1 22 . 1 1 32 32 THR HA H 32 5.454 5.454 4.763 0.691 25124 14811 1 22 . 1 1 32 32 THR C C 32 172.259 172.259 172.038 0.221 25124 14812 1 22 . 1 1 32 32 THR CA C 32 59.101 59.101 60.494 -1.393 25124 14813 1 22 . 1 1 32 32 THR CB C 32 71.173 71.173 71.401 -0.228 25124 14814 1 22 . 1 1 32 32 THR H H 32 8.301 8.301 7.797 0.504 25124 14815 1 22 . 1 1 33 33 PHE N N 33 117.690 117.690 118.333 -0.643 25124 14816 1 22 . 1 1 33 33 PHE HA H 33 4.723 4.723 4.658 0.065 25124 14817 1 22 . 1 1 33 33 PHE C C 33 174.507 174.507 174.661 -0.154 25124 14818 1 22 . 1 1 33 33 PHE CA C 33 56.504 56.504 58.529 -2.025 25124 14819 1 22 . 1 1 33 33 PHE CB C 33 43.589 43.589 40.953 2.636 25124 14820 1 22 . 1 1 33 33 PHE H H 33 8.834 8.834 8.628 0.206 25124 14821 1 22 . 1 1 34 34 GLU N N 34 118.296 118.296 115.800 2.496 25124 14822 1 22 . 1 1 34 34 GLU HA H 34 4.451 4.451 4.543 -0.092 25124 14823 1 22 . 1 1 34 34 GLU C C 34 174.957 174.957 174.322 0.635 25124 14824 1 22 . 1 1 34 34 GLU CA C 34 56.661 56.661 56.660 0.001 25124 14825 1 22 . 1 1 34 34 GLU CB C 34 31.792 31.792 31.292 0.500 25124 14826 1 22 . 1 1 34 34 GLU H H 34 9.096 9.096 8.231 0.865 25124 14827 1 22 . 1 1 35 35 ASN N N 35 108.486 108.486 114.764 -6.278 25124 14828 1 22 . 1 1 35 35 ASN HA H 35 4.960 4.960 5.121 -0.161 25124 14829 1 22 . 1 1 35 35 ASN C C 35 175.353 175.353 176.613 -1.260 25124 14830 1 22 . 1 1 35 35 ASN CA C 35 52.364 52.364 51.931 0.433 25124 14831 1 22 . 1 1 35 35 ASN CB C 35 40.932 40.932 41.478 -0.546 25124 14832 1 22 . 1 1 35 35 ASN H H 35 7.286 7.286 7.646 -0.360 25124 14833 1 22 . 1 1 36 36 GLY N N 36 105.329 105.329 107.771 -2.442 25124 14834 1 22 . 1 1 36 36 GLY C C 36 174.586 174.586 175.643 -1.057 25124 14835 1 22 . 1 1 36 36 GLY CA C 36 47.533 47.533 47.178 0.355 25124 14836 1 22 . 1 1 36 36 GLY H H 36 9.369 9.369 8.864 0.505 25124 14837 1 22 . 1 1 37 37 ASN N N 37 120.396 120.396 118.618 1.778 25124 14838 1 22 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.232 0.130 25124 14839 1 22 . 1 1 37 37 ASN C C 37 178.791 178.791 177.380 1.411 25124 14840 1 22 . 1 1 37 37 ASN CA C 37 56.843 56.843 57.133 -0.290 25124 14841 1 22 . 1 1 37 37 ASN CB C 37 37.716 37.716 38.387 -0.671 25124 14842 1 22 . 1 1 37 37 ASN H H 37 8.440 8.440 8.346 0.094 25124 14843 1 22 . 1 1 38 38 GLU N N 38 119.334 119.334 119.696 -0.362 25124 14844 1 22 . 1 1 38 38 GLU HA H 38 4.058 4.058 3.838 0.220 25124 14845 1 22 . 1 1 38 38 GLU C C 38 179.372 179.372 178.792 0.580 25124 14846 1 22 . 1 1 38 38 GLU CA C 38 58.790 58.790 59.101 -0.311 25124 14847 1 22 . 1 1 38 38 GLU CB C 38 30.692 30.692 29.565 1.127 25124 14848 1 22 . 1 1 38 38 GLU H H 38 8.063 8.063 7.598 0.465 25124 14849 1 22 . 1 1 39 39 VAL N N 39 119.047 119.047 119.879 -0.832 25124 14850 1 22 . 1 1 39 39 VAL HA H 39 2.599 2.599 2.750 -0.151 25124 14851 1 22 . 1 1 39 39 VAL C C 39 176.807 176.807 177.761 -0.954 25124 14852 1 22 . 1 1 39 39 VAL CA C 39 65.222 65.222 65.590 -0.368 25124 14853 1 22 . 1 1 39 39 VAL CB C 39 31.078 31.078 31.334 -0.256 25124 14854 1 22 . 1 1 39 39 VAL H H 39 6.844 6.844 7.114 -0.270 25124 14855 1 22 . 1 1 40 40 LEU N N 40 118.385 118.385 120.731 -2.346 25124 14856 1 22 . 1 1 40 40 LEU HA H 40 3.929 3.929 3.890 0.039 25124 14857 1 22 . 1 1 40 40 LEU C C 40 179.584 179.584 178.075 1.509 25124 14858 1 22 . 1 1 40 40 LEU CA C 40 57.943 57.943 57.995 -0.052 25124 14859 1 22 . 1 1 40 40 LEU CB C 40 40.932 40.932 40.347 0.585 25124 14860 1 22 . 1 1 40 40 LEU H H 40 7.715 7.715 8.119 -0.404 25124 14861 1 22 . 1 1 41 41 ALA N N 41 120.091 120.091 120.413 -0.322 25124 14862 1 22 . 1 1 41 41 ALA HA H 41 4.158 4.158 3.883 0.275 25124 14863 1 22 . 1 1 41 41 ALA C C 41 180.562 180.562 178.704 1.858 25124 14864 1 22 . 1 1 41 41 ALA CA C 41 54.717 54.717 54.796 -0.079 25124 14865 1 22 . 1 1 41 41 ALA CB C 41 17.853 17.853 17.960 -0.107 25124 14866 1 22 . 1 1 41 41 ALA H H 41 7.671 7.671 7.655 0.016 25124 14867 1 22 . 1 1 42 42 ALA N N 42 122.650 122.650 120.017 2.633 25124 14868 1 22 . 1 1 42 42 ALA HA H 42 4.221 4.221 4.254 -0.033 25124 14869 1 22 . 1 1 42 42 ALA C C 42 180.166 180.166 179.689 0.477 25124 14870 1 22 . 1 1 42 42 ALA CA C 42 54.974 54.974 54.042 0.932 25124 14871 1 22 . 1 1 42 42 ALA CB C 42 19.488 19.488 18.240 1.248 25124 14872 1 22 . 1 1 42 42 ALA H H 42 7.573 7.573 7.017 0.556 25124 14873 1 22 . 1 1 43 43 LEU N N 43 119.321 119.321 121.517 -2.196 25124 14874 1 22 . 1 1 43 43 LEU HA H 43 5.260 5.260 4.693 0.567 25124 14875 1 22 . 1 1 43 43 LEU C C 43 177.389 177.389 179.729 -2.340 25124 14876 1 22 . 1 1 43 43 LEU CA C 43 55.446 55.446 57.818 -2.372 25124 14877 1 22 . 1 1 43 43 LEU CB C 43 42.879 42.879 42.059 0.820 25124 14878 1 22 . 1 1 43 43 LEU H H 43 8.289 8.289 8.334 -0.045 25124 14879 1 22 . 1 1 44 44 ALA N N 44 118.995 118.995 119.140 -0.145 25124 14880 1 22 . 1 1 44 44 ALA HA H 44 4.232 4.232 4.048 0.184 25124 14881 1 22 . 1 1 44 44 ALA C C 44 178.738 178.738 178.677 0.061 25124 14882 1 22 . 1 1 44 44 ALA CA C 44 54.353 54.353 54.619 -0.266 25124 14883 1 22 . 1 1 44 44 ALA CB C 44 18.674 18.674 18.663 0.011 25124 14884 1 22 . 1 1 44 44 ALA H H 44 7.307 7.307 8.086 -0.779 25124 14885 1 22 . 1 1 45 45 SER N N 45 108.530 108.530 112.264 -3.734 25124 14886 1 22 . 1 1 45 45 SER HA H 45 4.761 4.761 4.487 0.274 25124 14887 1 22 . 1 1 45 45 SER C C 45 173.344 173.344 174.998 -1.654 25124 14888 1 22 . 1 1 45 45 SER CA C 45 58.682 58.682 60.211 -1.529 25124 14889 1 22 . 1 1 45 45 SER CB C 45 65.446 65.446 64.274 1.172 25124 14890 1 22 . 1 1 45 45 SER H H 45 7.772 7.772 8.003 -0.231 25124 14891 1 22 . 1 1 46 46 LYS N N 46 122.965 122.965 119.693 3.272 25124 14892 1 22 . 1 1 46 46 LYS HA H 46 4.608 4.608 4.636 -0.028 25124 14893 1 22 . 1 1 46 46 LYS C C 46 172.815 172.815 174.100 -1.285 25124 14894 1 22 . 1 1 46 46 LYS CA C 46 55.601 55.601 55.502 0.099 25124 14895 1 22 . 1 1 46 46 LYS CB C 46 36.399 36.399 36.370 0.029 25124 14896 1 22 . 1 1 46 46 LYS H H 46 8.096 8.096 8.355 -0.259 25124 14897 1 22 . 1 1 47 47 THR N N 47 111.524 111.524 113.449 -1.925 25124 14898 1 22 . 1 1 47 47 THR HA H 47 4.307 4.307 4.553 -0.246 25124 14899 1 22 . 1 1 47 47 THR CA C 47 57.896 57.896 58.377 -0.481 25124 14900 1 22 . 1 1 47 47 THR CB C 47 70.570 70.570 69.688 0.882 25124 14901 1 22 . 1 1 47 47 THR H H 47 7.708 7.708 8.217 -0.509 25124 14902 1 22 . 1 1 48 48 PRO HA H 48 3.944 3.944 4.054 -0.110 25124 14903 1 22 . 1 1 48 48 PRO C C 48 173.079 173.079 175.862 -2.783 25124 14904 1 22 . 1 1 48 48 PRO CA C 48 60.922 60.922 62.334 -1.412 25124 14905 1 22 . 1 1 48 48 PRO CB C 48 30.353 30.353 32.097 -1.744 25124 14906 1 22 . 1 1 49 49 ASP N N 49 115.001 115.001 117.717 -2.716 25124 14907 1 22 . 1 1 49 49 ASP HA H 49 4.460 4.460 4.617 -0.157 25124 14908 1 22 . 1 1 49 49 ASP C C 49 175.591 175.591 174.889 0.702 25124 14909 1 22 . 1 1 49 49 ASP CA C 49 56.504 56.504 54.342 2.162 25124 14910 1 22 . 1 1 49 49 ASP CB C 49 42.625 42.625 42.742 -0.117 25124 14911 1 22 . 1 1 49 49 ASP H H 49 8.535 8.535 8.293 0.242 25124 14912 1 22 . 1 1 50 50 VAL N N 50 111.832 111.832 115.186 -3.354 25124 14913 1 22 . 1 1 50 50 VAL HA H 50 4.316 4.316 4.272 0.044 25124 14914 1 22 . 1 1 50 50 VAL C C 50 171.572 171.572 172.996 -1.424 25124 14915 1 22 . 1 1 50 50 VAL CA C 50 60.398 60.398 62.022 -1.624 25124 14916 1 22 . 1 1 50 50 VAL CB C 50 34.650 34.650 34.432 0.218 25124 14917 1 22 . 1 1 50 50 VAL H H 50 7.194 7.194 7.169 0.025 25124 14918 1 22 . 1 1 51 51 LEU N N 51 127.785 127.785 128.041 -0.256 25124 14919 1 22 . 1 1 51 51 LEU HA H 51 5.376 5.376 5.561 -0.185 25124 14920 1 22 . 1 1 51 51 LEU C C 51 173.264 173.264 174.379 -1.115 25124 14921 1 22 . 1 1 51 51 LEU CA C 51 53.137 53.137 53.133 0.004 25124 14922 1 22 . 1 1 51 51 LEU CB C 51 46.680 46.680 46.613 0.067 25124 14923 1 22 . 1 1 51 51 LEU H H 51 8.049 8.049 7.854 0.195 25124 14924 1 22 . 1 1 52 52 LEU N N 52 128.943 128.943 124.743 4.200 25124 14925 1 22 . 1 1 52 52 LEU HA H 52 5.312 5.312 5.024 0.288 25124 14926 1 22 . 1 1 52 52 LEU C C 52 174.692 174.692 175.994 -1.302 25124 14927 1 22 . 1 1 52 52 LEU CA C 52 54.313 54.313 53.873 0.440 25124 14928 1 22 . 1 1 52 52 LEU CB C 52 43.961 43.961 42.347 1.614 25124 14929 1 22 . 1 1 52 52 LEU H H 52 9.278 9.278 8.314 0.964 25124 14930 1 22 . 1 1 53 53 SER N N 53 116.717 116.717 117.698 -0.981 25124 14931 1 22 . 1 1 53 53 SER HA H 53 5.395 5.395 4.737 0.658 25124 14932 1 22 . 1 1 53 53 SER C C 53 173.608 173.608 173.186 0.422 25124 14933 1 22 . 1 1 53 53 SER CA C 53 56.226 56.226 56.734 -0.508 25124 14934 1 22 . 1 1 53 53 SER CB C 53 65.753 65.753 65.522 0.231 25124 14935 1 22 . 1 1 53 53 SER H H 53 9.256 9.256 7.886 1.370 25124 14936 1 22 . 1 1 54 54 ASP N N 54 127.909 127.909 120.485 7.424 25124 14937 1 22 . 1 1 54 54 ASP HA H 54 5.622 5.622 5.182 0.440 25124 14938 1 22 . 1 1 54 54 ASP C C 54 175.723 175.723 176.295 -0.572 25124 14939 1 22 . 1 1 54 54 ASP CA C 54 53.268 53.268 52.378 0.890 25124 14940 1 22 . 1 1 54 54 ASP CB C 54 44.386 44.386 44.170 0.216 25124 14941 1 22 . 1 1 54 54 ASP H H 54 8.219 8.219 8.518 -0.299 25124 14942 1 22 . 1 1 55 55 ILE N N 55 117.015 117.015 118.953 -1.938 25124 14943 1 22 . 1 1 55 55 ILE HA H 55 4.116 4.116 4.474 -0.358 25124 14944 1 22 . 1 1 55 55 ILE C C 55 176.913 176.913 174.531 2.382 25124 14945 1 22 . 1 1 55 55 ILE CA C 55 65.290 65.290 59.963 5.327 25124 14946 1 22 . 1 1 55 55 ILE CB C 55 38.487 38.487 36.491 1.996 25124 14947 1 22 . 1 1 55 55 ILE H H 55 7.812 7.812 8.488 -0.676 25124 14948 1 22 . 1 1 56 56 ARG N N 56 117.365 117.365 123.492 -6.127 25124 14949 1 22 . 1 1 56 56 ARG HA H 56 4.379 4.379 4.465 -0.086 25124 14950 1 22 . 1 1 56 56 ARG C C 56 172.788 172.788 173.990 -1.202 25124 14951 1 22 . 1 1 56 56 ARG CA C 56 57.034 57.034 56.191 0.843 25124 14952 1 22 . 1 1 56 56 ARG CB C 56 27.600 27.600 31.198 -3.598 25124 14953 1 22 . 1 1 56 56 ARG H H 56 8.991 8.991 8.442 0.549 25124 14954 1 22 . 1 1 57 57 MET N N 57 129.539 129.539 120.004 9.535 25124 14955 1 22 . 1 1 57 57 MET HA H 57 4.767 4.767 5.099 -0.332 25124 14956 1 22 . 1 1 57 57 MET CA C 57 53.641 53.641 53.075 0.566 25124 14957 1 22 . 1 1 57 57 MET CB C 57 36.484 36.484 33.474 3.010 25124 14958 1 22 . 1 1 57 57 MET H H 57 7.501 7.501 8.038 -0.537 25124 14959 1 22 . 1 1 58 58 PRO HA H 58 4.379 4.379 4.383 -0.004 25124 14960 1 22 . 1 1 58 58 PRO C C 58 177.495 177.495 178.168 -0.673 25124 14961 1 22 . 1 1 58 58 PRO CA C 58 63.104 63.104 64.052 -0.948 25124 14962 1 22 . 1 1 58 58 PRO CB C 58 31.922 31.922 32.166 -0.244 25124 14963 1 22 . 1 1 59 59 GLY N N 59 112.312 112.312 108.339 3.973 25124 14964 1 22 . 1 1 59 59 GLY C C 59 173.793 173.793 175.100 -1.307 25124 14965 1 22 . 1 1 59 59 GLY CA C 59 46.430 46.430 46.595 -0.165 25124 14966 1 22 . 1 1 59 59 GLY H H 59 8.656 8.656 8.304 0.352 25124 14967 1 22 . 1 1 60 60 MET N N 60 124.343 124.343 117.799 6.544 25124 14968 1 22 . 1 1 60 60 MET HA H 60 4.344 4.344 4.652 -0.308 25124 14969 1 22 . 1 1 60 60 MET C C 60 174.190 174.190 174.631 -0.441 25124 14970 1 22 . 1 1 60 60 MET CA C 60 55.871 55.871 56.062 -0.191 25124 14971 1 22 . 1 1 60 60 MET CB C 60 34.955 34.955 34.254 0.701 25124 14972 1 22 . 1 1 60 60 MET H H 60 7.778 7.778 7.816 -0.038 25124 14973 1 22 . 1 1 61 61 ASP N N 61 124.993 124.993 115.297 9.696 25124 14974 1 22 . 1 1 61 61 ASP HA H 61 4.870 4.870 4.771 0.099 25124 14975 1 22 . 1 1 61 61 ASP C C 61 176.966 176.966 175.393 1.573 25124 14976 1 22 . 1 1 61 61 ASP CA C 61 53.490 53.490 53.909 -0.419 25124 14977 1 22 . 1 1 61 61 ASP CB C 61 42.347 42.347 43.196 -0.849 25124 14978 1 22 . 1 1 61 61 ASP H H 61 8.378 8.378 7.937 0.441 25124 14979 1 22 . 1 1 62 62 GLY N N 62 105.163 105.163 106.436 -1.273 25124 14980 1 22 . 1 1 62 62 GLY C C 62 175.935 175.935 175.736 0.199 25124 14981 1 22 . 1 1 62 62 GLY CA C 62 46.755 46.755 45.774 0.981 25124 14982 1 22 . 1 1 62 62 GLY H H 62 10.153 10.153 8.576 1.577 25124 14983 1 22 . 1 1 63 63 LEU N N 63 120.509 120.509 121.754 -1.245 25124 14984 1 22 . 1 1 63 63 LEU HA H 63 4.293 4.293 4.133 0.160 25124 14985 1 22 . 1 1 63 63 LEU C C 63 179.293 179.293 178.367 0.926 25124 14986 1 22 . 1 1 63 63 LEU CA C 63 57.148 57.148 57.142 0.006 25124 14987 1 22 . 1 1 63 63 LEU CB C 63 40.053 40.053 41.915 -1.862 25124 14988 1 22 . 1 1 63 63 LEU H H 63 8.119 8.119 7.787 0.332 25124 14989 1 22 . 1 1 64 64 ALA N N 64 126.234 126.234 121.395 4.839 25124 14990 1 22 . 1 1 64 64 ALA HA H 64 4.112 4.112 4.109 0.003 25124 14991 1 22 . 1 1 64 64 ALA C C 64 181.223 181.223 178.734 2.489 25124 14992 1 22 . 1 1 64 64 ALA CA C 64 54.802 54.802 54.777 0.025 25124 14993 1 22 . 1 1 64 64 ALA CB C 64 18.133 18.133 17.919 0.214 25124 14994 1 22 . 1 1 64 64 ALA H H 64 8.303 8.303 8.022 0.281 25124 14995 1 22 . 1 1 65 65 LEU N N 65 120.067 120.067 117.768 2.299 25124 14996 1 22 . 1 1 65 65 LEU HA H 65 4.044 4.044 4.235 -0.191 25124 14997 1 22 . 1 1 65 65 LEU C C 65 177.548 177.548 178.756 -1.208 25124 14998 1 22 . 1 1 65 65 LEU CA C 65 58.197 58.197 57.077 1.120 25124 14999 1 22 . 1 1 65 65 LEU CB C 65 41.727 41.727 42.383 -0.656 25124 15000 1 22 . 1 1 65 65 LEU H H 65 8.398 8.398 7.699 0.699 25124 15001 1 22 . 1 1 66 66 LEU N N 66 120.890 120.890 120.947 -0.057 25124 15002 1 22 . 1 1 66 66 LEU HA H 66 3.848 3.848 3.946 -0.098 25124 15003 1 22 . 1 1 66 66 LEU C C 66 177.230 177.230 178.195 -0.965 25124 15004 1 22 . 1 1 66 66 LEU CA C 66 58.736 58.736 57.598 1.138 25124 15005 1 22 . 1 1 66 66 LEU CB C 66 41.803 41.803 41.793 0.010 25124 15006 1 22 . 1 1 66 66 LEU H H 66 8.203 8.203 7.784 0.419 25124 15007 1 22 . 1 1 67 67 LYS N N 67 116.919 116.919 118.217 -1.298 25124 15008 1 22 . 1 1 67 67 LYS HA H 67 4.004 4.004 3.976 0.028 25124 15009 1 22 . 1 1 67 67 LYS C C 67 179.452 179.452 179.036 0.416 25124 15010 1 22 . 1 1 67 67 LYS CA C 67 59.733 59.733 58.870 0.864 25124 15011 1 22 . 1 1 67 67 LYS CB C 67 32.415 32.415 32.169 0.246 25124 15012 1 22 . 1 1 67 67 LYS H H 67 7.667 7.667 7.996 -0.329 25124 15013 1 22 . 1 1 68 68 GLN N N 68 116.851 116.851 118.644 -1.793 25124 15014 1 22 . 1 1 68 68 GLN HA H 68 4.046 4.046 4.102 -0.056 25124 15015 1 22 . 1 1 68 68 GLN C C 68 179.319 179.319 178.280 1.039 25124 15016 1 22 . 1 1 68 68 GLN CA C 68 58.820 58.820 58.864 -0.044 25124 15017 1 22 . 1 1 68 68 GLN CB C 68 28.660 28.660 29.612 -0.952 25124 15018 1 22 . 1 1 68 68 GLN H H 68 7.677 7.677 7.974 -0.297 25124 15019 1 22 . 1 1 69 69 ILE N N 69 120.670 120.670 115.214 5.456 25124 15020 1 22 . 1 1 69 69 ILE HA H 69 3.564 3.564 3.849 -0.285 25124 15021 1 22 . 1 1 69 69 ILE C C 69 177.786 177.786 177.308 0.478 25124 15022 1 22 . 1 1 69 69 ILE CA C 69 65.381 65.381 64.138 1.242 25124 15023 1 22 . 1 1 69 69 ILE CB C 69 37.186 37.186 37.581 -0.395 25124 15024 1 22 . 1 1 69 69 ILE H H 69 8.918 8.918 7.550 1.368 25124 15025 1 22 . 1 1 70 70 LYS N N 70 118.002 118.002 116.931 1.071 25124 15026 1 22 . 1 1 70 70 LYS HA H 70 3.936 3.936 4.177 -0.241 25124 15027 1 22 . 1 1 70 70 LYS C C 70 177.944 177.944 178.120 -0.176 25124 15028 1 22 . 1 1 70 70 LYS CA C 70 57.351 57.351 57.945 -0.594 25124 15029 1 22 . 1 1 70 70 LYS CB C 70 31.440 31.440 32.230 -0.790 25124 15030 1 22 . 1 1 70 70 LYS H H 70 8.592 8.592 7.840 0.752 25124 15031 1 22 . 1 1 71 71 GLN N N 71 114.891 114.891 118.392 -3.501 25124 15032 1 22 . 1 1 71 71 GLN HA H 71 4.063 4.063 4.232 -0.169 25124 15033 1 22 . 1 1 71 71 GLN C C 71 177.019 177.019 177.978 -0.959 25124 15034 1 22 . 1 1 71 71 GLN CA C 71 58.007 58.007 57.257 0.750 25124 15035 1 22 . 1 1 71 71 GLN CB C 71 29.168 29.168 29.063 0.105 25124 15036 1 22 . 1 1 71 71 GLN H H 71 7.266 7.266 7.501 -0.235 25124 15037 1 22 . 1 1 72 72 ARG N N 72 116.364 116.364 118.574 -2.210 25124 15038 1 22 . 1 1 72 72 ARG HA H 72 4.130 4.130 3.971 0.159 25124 15039 1 22 . 1 1 72 72 ARG C C 72 175.803 175.803 175.972 -0.169 25124 15040 1 22 . 1 1 72 72 ARG CA C 72 57.174 57.174 58.130 -0.956 25124 15041 1 22 . 1 1 72 72 ARG CB C 72 32.638 32.638 30.459 2.179 25124 15042 1 22 . 1 1 72 72 ARG H H 72 7.254 7.254 8.219 -0.965 25124 15043 1 22 . 1 1 73 73 HIS N N 73 116.981 116.981 110.558 6.423 25124 15044 1 22 . 1 1 73 73 HIS HA H 73 4.994 4.994 4.928 0.066 25124 15045 1 22 . 1 1 73 73 HIS CA C 73 53.252 53.252 53.419 -0.167 25124 15046 1 22 . 1 1 73 73 HIS CB C 73 31.026 31.026 29.420 1.606 25124 15047 1 22 . 1 1 73 73 HIS H H 73 8.828 8.828 7.123 1.705 25124 15048 1 22 . 1 1 74 74 PRO HA H 74 4.435 4.435 4.580 -0.145 25124 15049 1 22 . 1 1 74 74 PRO C C 74 178.156 178.156 177.142 1.014 25124 15050 1 22 . 1 1 74 74 PRO CA C 74 65.284 65.284 64.188 1.096 25124 15051 1 22 . 1 1 74 74 PRO CB C 74 32.130 32.130 31.843 0.287 25124 15052 1 22 . 1 1 75 75 MET N N 75 114.676 114.676 116.660 -1.984 25124 15053 1 22 . 1 1 75 75 MET HA H 75 4.587 4.587 4.428 0.159 25124 15054 1 22 . 1 1 75 75 MET C C 75 176.067 176.067 175.990 0.077 25124 15055 1 22 . 1 1 75 75 MET CA C 75 54.304 54.304 56.683 -2.379 25124 15056 1 22 . 1 1 75 75 MET CB C 75 31.623 31.623 32.722 -1.099 25124 15057 1 22 . 1 1 75 75 MET H H 75 8.648 8.648 7.896 0.752 25124 15058 1 22 . 1 1 76 76 LEU N N 76 125.720 125.720 121.541 4.179 25124 15059 1 22 . 1 1 76 76 LEU HA H 76 4.293 4.293 4.276 0.017 25124 15060 1 22 . 1 1 76 76 LEU CA C 76 53.472 53.472 52.684 0.788 25124 15061 1 22 . 1 1 76 76 LEU CB C 76 43.540 43.540 42.636 0.904 25124 15062 1 22 . 1 1 76 76 LEU H H 76 7.342 7.342 7.313 0.029 25124 15063 1 22 . 1 1 77 77 PRO HA H 77 4.440 4.440 4.485 -0.045 25124 15064 1 22 . 1 1 77 77 PRO C C 77 175.062 175.062 174.999 0.063 25124 15065 1 22 . 1 1 77 77 PRO CA C 77 62.841 62.841 62.576 0.265 25124 15066 1 22 . 1 1 77 77 PRO CB C 77 31.903 31.903 32.010 -0.107 25124 15067 1 22 . 1 1 78 78 VAL N N 78 123.116 123.116 120.925 2.191 25124 15068 1 22 . 1 1 78 78 VAL HA H 78 5.093 5.093 4.846 0.247 25124 15069 1 22 . 1 1 78 78 VAL C C 78 175.776 175.776 174.939 0.837 25124 15070 1 22 . 1 1 78 78 VAL CA C 78 60.083 60.083 60.972 -0.889 25124 15071 1 22 . 1 1 78 78 VAL CB C 78 34.245 34.245 35.615 -1.370 25124 15072 1 22 . 1 1 78 78 VAL H H 78 8.369 8.369 8.308 0.061 25124 15073 1 22 . 1 1 79 79 ILE N N 79 129.166 129.166 124.008 5.158 25124 15074 1 22 . 1 1 79 79 ILE HA H 79 4.499 4.499 4.449 0.050 25124 15075 1 22 . 1 1 79 79 ILE C C 79 174.295 174.295 175.089 -0.794 25124 15076 1 22 . 1 1 79 79 ILE CA C 79 60.030 60.030 60.155 -0.125 25124 15077 1 22 . 1 1 79 79 ILE CB C 79 40.222 40.222 40.896 -0.674 25124 15078 1 22 . 1 1 79 79 ILE H H 79 9.436 9.436 7.825 1.611 25124 15079 1 22 . 1 1 80 80 ILE N N 80 128.234 128.234 127.853 0.381 25124 15080 1 22 . 1 1 80 80 ILE HA H 80 5.253 5.253 4.261 0.992 25124 15081 1 22 . 1 1 80 80 ILE C C 80 173.449 173.449 175.117 -1.668 25124 15082 1 22 . 1 1 80 80 ILE CA C 80 56.265 56.265 59.861 -3.596 25124 15083 1 22 . 1 1 80 80 ILE CB C 80 38.176 38.176 37.122 1.054 25124 15084 1 22 . 1 1 80 80 ILE H H 80 7.920 7.920 8.203 -0.283 25124 15085 1 22 . 1 1 81 81 MET N N 81 124.079 124.079 126.173 -2.094 25124 15086 1 22 . 1 1 81 81 MET HA H 81 5.489 5.489 4.769 0.720 25124 15087 1 22 . 1 1 81 81 MET C C 81 173.820 173.820 174.272 -0.452 25124 15088 1 22 . 1 1 81 81 MET CA C 81 52.889 52.889 54.347 -1.458 25124 15089 1 22 . 1 1 81 81 MET CB C 81 36.663 36.663 35.186 1.477 25124 15090 1 22 . 1 1 81 81 MET H H 81 9.028 9.028 8.287 0.741 25124 15091 1 22 . 1 1 82 82 THR N N 82 108.434 108.434 115.530 -7.096 25124 15092 1 22 . 1 1 82 82 THR HA H 82 5.134 5.134 4.736 0.398 25124 15093 1 22 . 1 1 82 82 THR C C 82 172.550 172.550 172.560 -0.010 25124 15094 1 22 . 1 1 82 82 THR CA C 82 60.642 60.642 60.751 -0.109 25124 15095 1 22 . 1 1 82 82 THR CB C 82 68.843 68.843 70.480 -1.637 25124 15096 1 22 . 1 1 82 82 THR H H 82 7.098 7.098 7.912 -0.814 25124 15097 1 22 . 1 1 83 83 ALA N N 83 128.991 128.991 122.478 6.513 25124 15098 1 22 . 1 1 83 83 ALA HA H 83 4.678 4.678 4.827 -0.149 25124 15099 1 22 . 1 1 83 83 ALA C C 83 177.812 177.812 177.125 0.687 25124 15100 1 22 . 1 1 83 83 ALA CA C 83 52.457 52.457 50.887 1.570 25124 15101 1 22 . 1 1 83 83 ALA CB C 83 19.396 19.396 20.949 -1.553 25124 15102 1 22 . 1 1 83 83 ALA H H 83 8.590 8.590 8.308 0.282 25124 15103 1 22 . 1 1 84 84 HIS N N 84 121.904 121.904 113.568 8.336 25124 15104 1 22 . 1 1 84 84 HIS HA H 84 4.576 4.576 4.325 0.251 25124 15105 1 22 . 1 1 84 84 HIS C C 84 175.512 175.512 176.213 -0.701 25124 15106 1 22 . 1 1 84 84 HIS CA C 84 56.674 56.674 57.659 -0.985 25124 15107 1 22 . 1 1 84 84 HIS CB C 84 29.589 29.589 29.680 -0.091 25124 15108 1 22 . 1 1 84 84 HIS H H 84 8.865 8.865 8.741 0.124 25124 15109 1 22 . 1 1 85 85 SER N N 85 114.679 114.679 114.971 -0.292 25124 15110 1 22 . 1 1 85 85 SER HA H 85 4.303 4.303 3.936 0.367 25124 15111 1 22 . 1 1 85 85 SER C C 85 174.560 174.560 173.747 0.813 25124 15112 1 22 . 1 1 85 85 SER CA C 85 58.970 58.970 59.642 -0.672 25124 15113 1 22 . 1 1 85 85 SER CB C 85 62.829 62.829 63.177 -0.348 25124 15114 1 22 . 1 1 85 85 SER H H 85 8.016 8.016 7.694 0.322 25124 15115 1 22 . 1 1 86 86 ASP N N 86 122.325 122.325 121.058 1.267 25124 15116 1 22 . 1 1 86 86 ASP HA H 86 4.761 4.761 4.302 0.459 25124 15117 1 22 . 1 1 86 86 ASP C C 86 176.094 176.094 177.058 -0.964 25124 15118 1 22 . 1 1 86 86 ASP CA C 86 53.627 53.627 55.908 -2.281 25124 15119 1 22 . 1 1 86 86 ASP CB C 86 40.942 40.942 39.623 1.319 25124 15120 1 22 . 1 1 86 86 ASP H H 86 8.054 8.054 8.680 -0.626 25124 15121 1 22 . 1 1 87 87 LEU N N 87 122.041 122.041 119.839 2.202 25124 15122 1 22 . 1 1 87 87 LEU HA H 87 4.069 4.069 4.008 0.061 25124 15123 1 22 . 1 1 87 87 LEU C C 87 177.892 177.892 177.547 0.345 25124 15124 1 22 . 1 1 87 87 LEU CA C 87 57.182 57.182 57.300 -0.118 25124 15125 1 22 . 1 1 87 87 LEU CB C 87 42.015 42.015 41.828 0.187 25124 15126 1 22 . 1 1 87 87 LEU H H 87 8.005 8.005 7.640 0.365 25124 15127 1 22 . 1 1 88 88 ASP N N 88 118.050 118.050 120.066 -2.016 25124 15128 1 22 . 1 1 88 88 ASP HA H 88 4.370 4.370 4.266 0.104 25124 15129 1 22 . 1 1 88 88 ASP C C 88 178.103 178.103 177.282 0.821 25124 15130 1 22 . 1 1 88 88 ASP CA C 88 56.342 56.342 57.103 -0.761 25124 15131 1 22 . 1 1 88 88 ASP CB C 88 40.280 40.280 40.356 -0.076 25124 15132 1 22 . 1 1 88 88 ASP H H 88 8.243 8.243 8.555 -0.312 25124 15133 1 22 . 1 1 89 89 ALA N N 89 122.780 122.780 120.826 1.954 25124 15134 1 22 . 1 1 89 89 ALA HA H 89 4.038 4.038 4.169 -0.131 25124 15135 1 22 . 1 1 89 89 ALA C C 89 178.526 178.526 179.128 -0.602 25124 15136 1 22 . 1 1 89 89 ALA CA C 89 54.655 54.655 54.225 0.430 25124 15137 1 22 . 1 1 89 89 ALA CB C 89 18.809 18.809 18.332 0.477 25124 15138 1 22 . 1 1 89 89 ALA H H 89 7.890 7.890 7.712 0.178 25124 15139 1 22 . 1 1 90 90 ALA N N 90 120.040 120.040 120.944 -0.904 25124 15140 1 22 . 1 1 90 90 ALA HA H 90 3.254 3.254 3.825 -0.571 25124 15141 1 22 . 1 1 90 90 ALA C C 90 178.976 178.976 179.462 -0.486 25124 15142 1 22 . 1 1 90 90 ALA CA C 90 55.050 55.050 54.785 0.265 25124 15143 1 22 . 1 1 90 90 ALA CB C 90 17.725 17.725 18.012 -0.287 25124 15144 1 22 . 1 1 90 90 ALA H H 90 7.513 7.513 7.994 -0.481 25124 15145 1 22 . 1 1 91 91 VAL N N 91 116.635 116.635 117.618 -0.983 25124 15146 1 22 . 1 1 91 91 VAL HA H 91 3.637 3.637 3.731 -0.094 25124 15147 1 22 . 1 1 91 91 VAL C C 91 178.632 178.632 177.840 0.792 25124 15148 1 22 . 1 1 91 91 VAL CA C 91 65.971 65.971 65.945 0.026 25124 15149 1 22 . 1 1 91 91 VAL CB C 91 31.623 31.623 31.758 -0.135 25124 15150 1 22 . 1 1 91 91 VAL H H 91 7.877 7.877 7.375 0.502 25124 15151 1 22 . 1 1 92 92 SER N N 92 115.439 115.439 114.903 0.536 25124 15152 1 22 . 1 1 92 92 SER HA H 92 4.215 4.215 4.105 0.110 25124 15153 1 22 . 1 1 92 92 SER C C 92 175.961 175.961 176.235 -0.274 25124 15154 1 22 . 1 1 92 92 SER CA C 92 61.401 61.401 61.128 0.273 25124 15155 1 22 . 1 1 92 92 SER CB C 92 62.966 62.966 62.907 0.059 25124 15156 1 22 . 1 1 92 92 SER H H 92 7.912 7.912 7.664 0.248 25124 15157 1 22 . 1 1 93 93 ALA N N 93 122.647 122.647 123.804 -1.157 25124 15158 1 22 . 1 1 93 93 ALA HA H 93 3.786 3.786 4.095 -0.309 25124 15159 1 22 . 1 1 93 93 ALA C C 93 179.293 179.293 179.667 -0.374 25124 15160 1 22 . 1 1 93 93 ALA CA C 93 55.172 55.172 54.789 0.383 25124 15161 1 22 . 1 1 93 93 ALA CB C 93 17.161 17.161 17.962 -0.801 25124 15162 1 22 . 1 1 93 93 ALA H H 93 8.199 8.199 8.148 0.051 25124 15163 1 22 . 1 1 94 94 TYR N N 94 117.796 117.796 118.304 -0.508 25124 15164 1 22 . 1 1 94 94 TYR HA H 94 4.283 4.283 4.302 -0.019 25124 15165 1 22 . 1 1 94 94 TYR C C 94 179.954 179.954 178.397 1.557 25124 15166 1 22 . 1 1 94 94 TYR CA C 94 61.216 61.216 60.353 0.863 25124 15167 1 22 . 1 1 94 94 TYR CB C 94 37.716 37.716 37.745 -0.029 25124 15168 1 22 . 1 1 94 94 TYR H H 94 8.065 8.065 7.514 0.551 25124 15169 1 22 . 1 1 95 95 GLN N N 95 120.057 120.057 117.627 2.430 25124 15170 1 22 . 1 1 95 95 GLN HA H 95 4.005 4.005 4.073 -0.068 25124 15171 1 22 . 1 1 95 95 GLN C C 95 177.680 177.680 177.987 -0.307 25124 15172 1 22 . 1 1 95 95 GLN CA C 95 58.471 58.471 58.297 0.174 25124 15173 1 22 . 1 1 95 95 GLN CB C 95 28.334 28.334 28.202 0.132 25124 15174 1 22 . 1 1 95 95 GLN H H 95 8.513 8.513 7.601 0.912 25124 15175 1 22 . 1 1 96 96 GLN N N 96 115.323 115.323 116.597 -1.274 25124 15176 1 22 . 1 1 96 96 GLN HA H 96 4.321 4.321 4.305 0.016 25124 15177 1 22 . 1 1 96 96 GLN C C 96 175.538 175.538 176.753 -1.215 25124 15178 1 22 . 1 1 96 96 GLN CA C 96 55.379 55.379 56.368 -0.989 25124 15179 1 22 . 1 1 96 96 GLN CB C 96 28.915 28.915 29.804 -0.889 25124 15180 1 22 . 1 1 96 96 GLN H H 96 7.774 7.774 7.651 0.123 25124 15181 1 22 . 1 1 97 97 GLY N N 97 104.173 104.173 107.730 -3.557 25124 15182 1 22 . 1 1 97 97 GLY C C 97 175.168 175.168 173.959 1.209 25124 15183 1 22 . 1 1 97 97 GLY CA C 97 45.491 45.491 44.559 0.932 25124 15184 1 22 . 1 1 97 97 GLY H H 97 7.576 7.576 7.546 0.030 25124 15185 1 22 . 1 1 98 98 ALA N N 98 123.484 123.484 120.904 2.580 25124 15186 1 22 . 1 1 98 98 ALA HA H 98 4.266 4.266 4.210 0.056 25124 15187 1 22 . 1 1 98 98 ALA C C 98 176.067 176.067 176.813 -0.746 25124 15188 1 22 . 1 1 98 98 ALA CA C 98 53.008 53.008 52.755 0.253 25124 15189 1 22 . 1 1 98 98 ALA CB C 98 18.556 18.556 19.732 -1.176 25124 15190 1 22 . 1 1 98 98 ALA H H 98 8.358 8.358 7.694 0.664 25124 15191 1 22 . 1 1 99 99 PHE N N 99 123.551 123.551 121.394 2.157 25124 15192 1 22 . 1 1 99 99 PHE HA H 99 4.259 4.259 4.531 -0.272 25124 15193 1 22 . 1 1 99 99 PHE C C 99 175.432 175.432 176.011 -0.579 25124 15194 1 22 . 1 1 99 99 PHE CA C 99 60.274 60.274 59.438 0.835 25124 15195 1 22 . 1 1 99 99 PHE CB C 99 40.375 40.375 40.362 0.013 25124 15196 1 22 . 1 1 99 99 PHE H H 99 9.477 9.477 8.956 0.521 25124 15197 1 22 . 1 1 100 100 ASP N N 100 110.678 110.678 114.157 -3.479 25124 15198 1 22 . 1 1 100 100 ASP HA H 100 4.547 4.547 4.964 -0.417 25124 15199 1 22 . 1 1 100 100 ASP C C 100 173.053 173.053 173.846 -0.793 25124 15200 1 22 . 1 1 100 100 ASP CA C 100 52.527 52.527 54.180 -1.653 25124 15201 1 22 . 1 1 100 100 ASP CB C 100 44.789 44.789 43.477 1.312 25124 15202 1 22 . 1 1 100 100 ASP H H 100 7.683 7.683 8.052 -0.369 25124 15203 1 22 . 1 1 101 101 TYR N N 101 122.174 122.174 121.717 0.457 25124 15204 1 22 . 1 1 101 101 TYR HA H 101 5.425 5.425 5.325 0.100 25124 15205 1 22 . 1 1 101 101 TYR C C 101 172.550 172.550 174.633 -2.083 25124 15206 1 22 . 1 1 101 101 TYR CA C 101 55.865 55.865 56.342 -0.477 25124 15207 1 22 . 1 1 101 101 TYR CB C 101 41.760 41.760 39.730 2.030 25124 15208 1 22 . 1 1 101 101 TYR H H 101 9.874 9.874 8.704 1.170 25124 15209 1 22 . 1 1 102 102 LEU N N 102 129.337 129.337 129.461 -0.124 25124 15210 1 22 . 1 1 102 102 LEU HA H 102 4.677 4.677 4.672 0.005 25124 15211 1 22 . 1 1 102 102 LEU CA C 102 50.418 50.418 50.734 -0.316 25124 15212 1 22 . 1 1 102 102 LEU CB C 102 45.066 45.066 43.557 1.509 25124 15213 1 22 . 1 1 102 102 LEU H H 102 8.974 8.974 8.172 0.802 25124 15214 1 22 . 1 1 103 103 PRO HA H 103 4.552 4.552 4.412 0.140 25124 15215 1 22 . 1 1 103 103 PRO C C 103 176.067 176.067 175.705 0.362 25124 15216 1 22 . 1 1 103 103 PRO CA C 103 61.951 61.951 62.327 -0.376 25124 15217 1 22 . 1 1 103 103 PRO CB C 103 31.829 31.829 32.557 -0.728 25124 15218 1 22 . 1 1 104 104 LYS N N 104 118.403 118.403 121.483 -3.080 25124 15219 1 22 . 1 1 104 104 LYS HA H 104 4.459 4.459 4.977 -0.518 25124 15220 1 22 . 1 1 104 104 LYS CA C 104 53.204 53.204 53.562 -0.358 25124 15221 1 22 . 1 1 104 104 LYS CB C 104 34.500 34.500 31.484 3.016 25124 15222 1 22 . 1 1 104 104 LYS H H 104 8.013 8.013 8.363 -0.350 25124 15223 1 22 . 1 1 105 105 PRO HA H 105 4.258 4.258 4.565 -0.307 25124 15224 1 22 . 1 1 105 105 PRO C C 105 174.930 174.930 176.039 -1.109 25124 15225 1 22 . 1 1 105 105 PRO CA C 105 62.213 62.213 63.135 -0.922 25124 15226 1 22 . 1 1 105 105 PRO CB C 105 34.151 34.151 31.815 2.336 25124 15227 1 22 . 1 1 106 106 PHE N N 106 116.796 116.796 120.705 -3.909 25124 15228 1 22 . 1 1 106 106 PHE HA H 106 5.169 5.169 4.745 0.424 25124 15229 1 22 . 1 1 106 106 PHE C C 106 175.194 175.194 174.725 0.469 25124 15230 1 22 . 1 1 106 106 PHE CA C 106 53.244 53.244 55.521 -2.277 25124 15231 1 22 . 1 1 106 106 PHE CB C 106 40.477 40.477 41.091 -0.614 25124 15232 1 22 . 1 1 106 106 PHE H H 106 7.399 7.399 7.655 -0.256 25124 15233 1 22 . 1 1 107 107 ASP N N 107 122.212 122.212 123.082 -0.870 25124 15234 1 22 . 1 1 107 107 ASP HA H 107 4.823 4.823 4.786 0.037 25124 15235 1 22 . 1 1 107 107 ASP C C 107 177.812 177.812 177.761 0.051 25124 15236 1 22 . 1 1 107 107 ASP CA C 107 53.392 53.392 53.618 -0.226 25124 15237 1 22 . 1 1 107 107 ASP CB C 107 42.455 42.455 41.219 1.236 25124 15238 1 22 . 1 1 107 107 ASP H H 107 9.047 9.047 8.614 0.433 25124 15239 1 22 . 1 1 108 108 ILE N N 108 127.963 127.963 123.028 4.935 25124 15240 1 22 . 1 1 108 108 ILE HA H 108 3.949 3.949 3.881 0.068 25124 15241 1 22 . 1 1 108 108 ILE C C 108 176.226 176.226 177.019 -0.793 25124 15242 1 22 . 1 1 108 108 ILE CA C 108 63.105 63.105 64.086 -0.981 25124 15243 1 22 . 1 1 108 108 ILE CB C 108 37.665 37.665 37.058 0.607 25124 15244 1 22 . 1 1 108 108 ILE H H 108 8.898 8.898 8.387 0.511 25124 15245 1 22 . 1 1 109 109 ASP N N 109 119.804 119.804 120.415 -0.611 25124 15246 1 22 . 1 1 109 109 ASP HA H 109 4.393 4.393 4.331 0.062 25124 15247 1 22 . 1 1 109 109 ASP C C 109 179.848 179.848 179.071 0.777 25124 15248 1 22 . 1 1 109 109 ASP CA C 109 57.483 57.483 57.678 -0.195 25124 15249 1 22 . 1 1 109 109 ASP CB C 109 39.986 39.986 40.205 -0.219 25124 15250 1 22 . 1 1 109 109 ASP H H 109 8.098 8.098 8.542 -0.444 25124 15251 1 22 . 1 1 110 110 GLU N N 110 121.667 121.667 118.681 2.986 25124 15252 1 22 . 1 1 110 110 GLU HA H 110 4.085 4.085 4.323 -0.238 25124 15253 1 22 . 1 1 110 110 GLU C C 110 178.976 178.976 178.219 0.757 25124 15254 1 22 . 1 1 110 110 GLU CA C 110 58.790 58.790 58.307 0.483 25124 15255 1 22 . 1 1 110 110 GLU CB C 110 29.330 29.330 29.725 -0.395 25124 15256 1 22 . 1 1 110 110 GLU H H 110 8.059 8.059 8.273 -0.214 25124 15257 1 22 . 1 1 111 111 ALA N N 111 122.208 122.208 122.943 -0.735 25124 15258 1 22 . 1 1 111 111 ALA HA H 111 3.758 3.758 4.160 -0.402 25124 15259 1 22 . 1 1 111 111 ALA C C 111 178.605 178.605 179.474 -0.869 25124 15260 1 22 . 1 1 111 111 ALA CA C 111 55.320 55.320 54.926 0.394 25124 15261 1 22 . 1 1 111 111 ALA CB C 111 18.174 18.174 18.433 -0.259 25124 15262 1 22 . 1 1 111 111 ALA H H 111 7.903 7.903 7.325 0.578 25124 15263 1 22 . 1 1 112 112 VAL N N 112 116.429 116.429 118.229 -1.800 25124 15264 1 22 . 1 1 112 112 VAL HA H 112 3.194 3.194 3.531 -0.337 25124 15265 1 22 . 1 1 112 112 VAL C C 112 177.230 177.230 177.651 -0.421 25124 15266 1 22 . 1 1 112 112 VAL CA C 112 67.154 67.154 67.085 0.069 25124 15267 1 22 . 1 1 112 112 VAL CB C 112 31.538 31.538 31.651 -0.113 25124 15268 1 22 . 1 1 112 112 VAL H H 112 8.032 8.032 8.352 -0.320 25124 15269 1 22 . 1 1 113 113 ALA N N 113 120.198 120.198 120.174 0.024 25124 15270 1 22 . 1 1 113 113 ALA HA H 113 4.159 4.159 4.280 -0.121 25124 15271 1 22 . 1 1 113 113 ALA C C 113 180.589 180.589 179.152 1.437 25124 15272 1 22 . 1 1 113 113 ALA CA C 113 54.902 54.902 54.227 0.675 25124 15273 1 22 . 1 1 113 113 ALA CB C 113 17.980 17.980 18.756 -0.776 25124 15274 1 22 . 1 1 113 113 ALA H H 113 7.723 7.723 7.649 0.074 25124 15275 1 22 . 1 1 114 114 LEU N N 114 120.742 120.742 120.268 0.474 25124 15276 1 22 . 1 1 114 114 LEU HA H 114 4.102 4.102 4.195 -0.093 25124 15277 1 22 . 1 1 114 114 LEU C C 114 178.605 178.605 178.203 0.402 25124 15278 1 22 . 1 1 114 114 LEU CA C 114 58.181 58.181 57.210 0.971 25124 15279 1 22 . 1 1 114 114 LEU CB C 114 42.032 42.032 42.084 -0.052 25124 15280 1 22 . 1 1 114 114 LEU H H 114 7.928 7.928 7.576 0.352 25124 15281 1 22 . 1 1 115 115 VAL N N 115 119.478 119.478 119.269 0.209 25124 15282 1 22 . 1 1 115 115 VAL HA H 115 3.250 3.250 3.502 -0.252 25124 15283 1 22 . 1 1 115 115 VAL C C 115 177.548 177.548 177.910 -0.362 25124 15284 1 22 . 1 1 115 115 VAL CA C 115 67.168 67.168 67.266 -0.098 25124 15285 1 22 . 1 1 115 115 VAL CB C 115 30.760 30.760 31.596 -0.836 25124 15286 1 22 . 1 1 115 115 VAL H H 115 7.846 7.846 8.330 -0.484 25124 15287 1 22 . 1 1 116 116 GLU N N 116 117.570 117.570 116.949 0.621 25124 15288 1 22 . 1 1 116 116 GLU HA H 116 3.809 3.809 4.168 -0.359 25124 15289 1 22 . 1 1 116 116 GLU C C 116 179.557 179.557 178.599 0.958 25124 15290 1 22 . 1 1 116 116 GLU CA C 116 59.974 59.974 57.601 2.373 25124 15291 1 22 . 1 1 116 116 GLU CB C 116 29.084 29.084 28.868 0.216 25124 15292 1 22 . 1 1 116 116 GLU H H 116 8.462 8.462 8.101 0.361 25124 15293 1 22 . 1 1 117 117 ARG N N 117 120.263 120.263 120.204 0.059 25124 15294 1 22 . 1 1 117 117 ARG HA H 117 4.109 4.109 4.089 0.020 25124 15295 1 22 . 1 1 117 117 ARG C C 117 178.500 178.500 178.442 0.058 25124 15296 1 22 . 1 1 117 117 ARG CA C 117 59.411 59.411 59.599 -0.188 25124 15297 1 22 . 1 1 117 117 ARG CB C 117 30.414 30.414 30.187 0.227 25124 15298 1 22 . 1 1 117 117 ARG H H 117 8.090 8.090 7.625 0.465 25124 15299 1 22 . 1 1 118 118 ALA N N 118 122.157 122.157 120.278 1.879 25124 15300 1 22 . 1 1 118 118 ALA HA H 118 3.467 3.467 4.582 -1.115 25124 15301 1 22 . 1 1 118 118 ALA C C 118 178.632 178.632 180.130 -1.498 25124 15302 1 22 . 1 1 118 118 ALA CA C 118 54.739 54.739 54.332 0.407 25124 15303 1 22 . 1 1 118 118 ALA CB C 118 18.280 18.280 18.600 -0.320 25124 15304 1 22 . 1 1 118 118 ALA H H 118 8.005 8.005 7.381 0.624 25124 15305 1 22 . 1 1 119 119 ILE N N 119 115.429 115.429 119.462 -4.033 25124 15306 1 22 . 1 1 119 119 ILE HA H 119 3.706 3.706 3.748 -0.042 25124 15307 1 22 . 1 1 119 119 ILE C C 119 177.442 177.442 177.855 -0.413 25124 15308 1 22 . 1 1 119 119 ILE CA C 119 63.910 63.910 64.969 -1.059 25124 15309 1 22 . 1 1 119 119 ILE CB C 119 37.939 37.939 37.504 0.435 25124 15310 1 22 . 1 1 119 119 ILE H H 119 7.788 7.788 7.547 0.241 25124 15311 1 22 . 1 1 120 120 SER N N 120 114.902 114.902 114.374 0.528 25124 15312 1 22 . 1 1 120 120 SER HA H 120 4.285 4.285 4.065 0.220 25124 15313 1 22 . 1 1 120 120 SER C C 120 175.142 175.142 176.622 -1.480 25124 15314 1 22 . 1 1 120 120 SER CA C 120 59.871 59.871 61.306 -1.435 25124 15315 1 22 . 1 1 120 120 SER CB C 120 63.522 63.522 63.374 0.148 25124 15316 1 22 . 1 1 120 120 SER H H 120 7.881 7.881 8.383 -0.502 25124 15317 1 22 . 1 1 121 121 HIS N N 121 119.927 119.927 122.050 -2.123 25124 15318 1 22 . 1 1 121 121 HIS HA H 121 4.439 4.439 4.252 0.187 25124 15319 1 22 . 1 1 121 121 HIS C C 121 174.957 174.957 175.491 -0.534 25124 15320 1 22 . 1 1 121 121 HIS CA C 121 57.362 57.362 58.515 -1.153 25124 15321 1 22 . 1 1 121 121 HIS CB C 121 29.496 29.496 29.836 -0.340 25124 15322 1 22 . 1 1 121 121 HIS H H 121 7.960 7.960 7.851 0.109 25124 15323 1 22 . 1 1 122 122 TYR N N 122 118.745 118.745 116.096 2.649 25124 15324 1 22 . 1 1 122 122 TYR HA H 122 4.455 4.455 4.561 -0.106 25124 15325 1 22 . 1 1 122 122 TYR C C 122 175.353 175.353 174.552 0.801 25124 15326 1 22 . 1 1 122 122 TYR CA C 122 58.528 58.528 56.135 2.393 25124 15327 1 22 . 1 1 122 122 TYR CB C 122 38.726 38.726 37.053 1.673 25124 15328 1 22 . 1 1 122 122 TYR H H 122 7.776 7.776 7.303 0.473 25124 15329 1 22 . 1 1 123 123 GLN N N 123 121.424 121.424 121.616 -0.192 25124 15330 1 22 . 1 1 123 123 GLN HA H 123 4.294 4.294 4.054 0.240 25124 15331 1 22 . 1 1 123 123 GLN C C 123 174.560 174.560 175.868 -1.308 25124 15332 1 22 . 1 1 123 123 GLN CA C 123 55.658 55.658 57.109 -1.451 25124 15333 1 22 . 1 1 123 123 GLN CB C 123 29.877 29.877 28.013 1.864 25124 15334 1 22 . 1 1 123 123 GLN H H 123 7.904 7.904 7.557 0.347 25124 15335 1 23 . 1 1 2 2 GLN HA H 2 4.453 4.453 4.724 -0.271 25124 15336 1 23 . 1 1 2 2 GLN C C 2 174.930 174.930 174.396 0.534 25124 15337 1 23 . 1 1 2 2 GLN CA C 2 55.627 55.627 55.480 0.147 25124 15338 1 23 . 1 1 2 2 GLN CB C 2 29.312 29.312 28.916 0.396 25124 15339 1 23 . 1 1 3 3 ARG N N 3 121.349 121.349 121.164 0.185 25124 15340 1 23 . 1 1 3 3 ARG HA H 3 4.390 4.390 4.419 -0.029 25124 15341 1 23 . 1 1 3 3 ARG C C 3 175.723 175.723 173.910 1.813 25124 15342 1 23 . 1 1 3 3 ARG CA C 3 56.041 56.041 56.448 -0.407 25124 15343 1 23 . 1 1 3 3 ARG CB C 3 31.395 31.395 32.754 -1.359 25124 15344 1 23 . 1 1 3 3 ARG H H 3 8.451 8.451 8.488 -0.037 25124 15345 1 23 . 1 1 4 4 GLY N N 4 107.889 107.889 110.473 -2.584 25124 15346 1 23 . 1 1 4 4 GLY C C 4 171.122 171.122 172.153 -1.031 25124 15347 1 23 . 1 1 4 4 GLY CA C 4 45.333 45.333 45.136 0.197 25124 15348 1 23 . 1 1 4 4 GLY H H 4 8.037 8.037 8.331 -0.294 25124 15349 1 23 . 1 1 5 5 ILE N N 5 122.674 122.674 120.957 1.717 25124 15350 1 23 . 1 1 5 5 ILE HA H 5 4.731 4.731 3.962 0.769 25124 15351 1 23 . 1 1 5 5 ILE C C 5 175.459 175.459 174.648 0.811 25124 15352 1 23 . 1 1 5 5 ILE CA C 5 60.614 60.614 62.792 -2.178 25124 15353 1 23 . 1 1 5 5 ILE CB C 5 39.535 39.535 38.401 1.134 25124 15354 1 23 . 1 1 5 5 ILE H H 5 9.605 9.605 8.211 1.394 25124 15355 1 23 . 1 1 6 6 VAL N N 6 127.532 127.532 125.825 1.707 25124 15356 1 23 . 1 1 6 6 VAL HA H 6 4.892 4.892 4.362 0.530 25124 15357 1 23 . 1 1 6 6 VAL C C 6 174.110 174.110 174.405 -0.295 25124 15358 1 23 . 1 1 6 6 VAL CA C 6 59.255 59.255 61.323 -2.068 25124 15359 1 23 . 1 1 6 6 VAL CB C 6 34.530 34.530 33.806 0.724 25124 15360 1 23 . 1 1 6 6 VAL H H 6 9.135 9.135 8.070 1.065 25124 15361 1 23 . 1 1 7 7 TRP N N 7 127.409 127.409 127.128 0.281 25124 15362 1 23 . 1 1 7 7 TRP HA H 7 6.447 6.447 5.026 1.421 25124 15363 1 23 . 1 1 7 7 TRP C C 7 175.089 175.089 174.783 0.306 25124 15364 1 23 . 1 1 7 7 TRP CA C 7 52.797 52.797 54.481 -1.684 25124 15365 1 23 . 1 1 7 7 TRP CB C 7 33.255 33.255 30.920 2.335 25124 15366 1 23 . 1 1 7 7 TRP H H 7 8.544 8.544 8.656 -0.112 25124 15367 1 23 . 1 1 8 8 VAL N N 8 122.270 122.270 123.916 -1.646 25124 15368 1 23 . 1 1 8 8 VAL HA H 8 5.135 5.135 4.446 0.689 25124 15369 1 23 . 1 1 8 8 VAL C C 8 173.820 173.820 174.186 -0.366 25124 15370 1 23 . 1 1 8 8 VAL CA C 8 60.457 60.457 61.455 -0.998 25124 15371 1 23 . 1 1 8 8 VAL CB C 8 35.893 35.893 33.661 2.232 25124 15372 1 23 . 1 1 8 8 VAL H H 8 8.643 8.643 8.701 -0.058 25124 15373 1 23 . 1 1 9 9 VAL N N 9 126.806 126.806 128.541 -1.735 25124 15374 1 23 . 1 1 9 9 VAL HA H 9 5.192 5.192 4.447 0.745 25124 15375 1 23 . 1 1 9 9 VAL C C 9 172.550 172.550 173.644 -1.094 25124 15376 1 23 . 1 1 9 9 VAL CA C 9 58.384 58.384 60.991 -2.607 25124 15377 1 23 . 1 1 9 9 VAL CB C 9 34.135 34.135 31.933 2.202 25124 15378 1 23 . 1 1 9 9 VAL H H 9 9.113 9.113 8.202 0.911 25124 15379 1 23 . 1 1 10 10 ASP N N 10 125.011 125.011 125.415 -0.404 25124 15380 1 23 . 1 1 10 10 ASP HA H 10 4.554 4.554 5.105 -0.551 25124 15381 1 23 . 1 1 10 10 ASP C C 10 174.877 174.877 174.143 0.734 25124 15382 1 23 . 1 1 10 10 ASP CA C 10 55.066 55.066 53.006 2.060 25124 15383 1 23 . 1 1 10 10 ASP CB C 10 44.131 44.131 43.766 0.366 25124 15384 1 23 . 1 1 10 10 ASP H H 10 7.881 7.881 7.963 -0.082 25124 15385 1 23 . 1 1 11 11 ASP N N 11 124.048 124.048 120.604 3.444 25124 15386 1 23 . 1 1 11 11 ASP HA H 11 4.613 4.613 4.903 -0.290 25124 15387 1 23 . 1 1 11 11 ASP C C 11 175.089 175.089 174.649 0.440 25124 15388 1 23 . 1 1 11 11 ASP CA C 11 55.346 55.346 53.586 1.760 25124 15389 1 23 . 1 1 11 11 ASP CB C 11 39.583 39.583 40.977 -1.394 25124 15390 1 23 . 1 1 11 11 ASP H H 11 9.166 9.166 8.411 0.755 25124 15391 1 23 . 1 1 12 12 ASP N N 12 125.165 125.165 121.486 3.679 25124 15392 1 23 . 1 1 12 12 ASP HA H 12 4.757 4.757 4.798 -0.041 25124 15393 1 23 . 1 1 12 12 ASP C C 12 176.993 176.993 175.996 0.997 25124 15394 1 23 . 1 1 12 12 ASP CA C 12 53.112 53.112 54.234 -1.122 25124 15395 1 23 . 1 1 12 12 ASP CB C 12 41.072 41.072 44.592 -3.520 25124 15396 1 23 . 1 1 12 12 ASP H H 12 10.290 10.290 7.630 2.660 25124 15397 1 23 . 1 1 13 13 SER N N 13 123.818 123.818 119.278 4.540 25124 15398 1 23 . 1 1 13 13 SER HA H 13 3.719 3.719 4.303 -0.584 25124 15399 1 23 . 1 1 13 13 SER C C 13 176.146 176.146 176.174 -0.028 25124 15400 1 23 . 1 1 13 13 SER CA C 13 61.341 61.341 60.834 0.507 25124 15401 1 23 . 1 1 13 13 SER CB C 13 62.638 62.638 63.499 -0.861 25124 15402 1 23 . 1 1 13 13 SER H H 13 8.993 8.993 8.676 0.317 25124 15403 1 23 . 1 1 14 14 SER N N 14 118.714 118.714 119.587 -0.873 25124 15404 1 23 . 1 1 14 14 SER HA H 14 4.322 4.322 4.335 -0.013 25124 15405 1 23 . 1 1 14 14 SER C C 14 176.411 176.411 176.344 0.067 25124 15406 1 23 . 1 1 14 14 SER CA C 14 61.717 61.717 61.604 0.113 25124 15407 1 23 . 1 1 14 14 SER CB C 14 62.554 62.554 62.512 0.042 25124 15408 1 23 . 1 1 14 14 SER H H 14 8.499 8.499 8.473 0.026 25124 15409 1 23 . 1 1 15 15 ILE N N 15 122.822 122.822 119.959 2.863 25124 15410 1 23 . 1 1 15 15 ILE HA H 15 3.972 3.972 3.749 0.223 25124 15411 1 23 . 1 1 15 15 ILE C C 15 177.786 177.786 178.334 -0.548 25124 15412 1 23 . 1 1 15 15 ILE CA C 15 60.784 60.784 63.459 -2.675 25124 15413 1 23 . 1 1 15 15 ILE CB C 15 36.016 36.016 36.410 -0.395 25124 15414 1 23 . 1 1 15 15 ILE H H 15 7.011 7.011 8.517 -1.506 25124 15415 1 23 . 1 1 16 16 ARG N N 16 116.580 116.580 120.126 -3.546 25124 15416 1 23 . 1 1 16 16 ARG HA H 16 3.711 3.711 4.093 -0.382 25124 15417 1 23 . 1 1 16 16 ARG C C 16 177.336 177.336 178.181 -0.845 25124 15418 1 23 . 1 1 16 16 ARG CA C 16 61.632 61.632 59.958 1.674 25124 15419 1 23 . 1 1 16 16 ARG CB C 16 30.520 30.520 30.383 0.137 25124 15420 1 23 . 1 1 16 16 ARG H H 16 7.370 7.370 7.454 -0.084 25124 15421 1 23 . 1 1 17 17 TRP N N 17 116.893 116.893 122.357 -5.464 25124 15422 1 23 . 1 1 17 17 TRP HA H 17 4.481 4.481 4.332 0.149 25124 15423 1 23 . 1 1 17 17 TRP C C 17 178.394 178.394 178.032 0.362 25124 15424 1 23 . 1 1 17 17 TRP CA C 17 60.482 60.482 61.701 -1.219 25124 15425 1 23 . 1 1 17 17 TRP CB C 17 29.372 29.372 29.318 0.054 25124 15426 1 23 . 1 1 17 17 TRP H H 17 8.020 8.020 8.590 -0.570 25124 15427 1 23 . 1 1 18 18 VAL N N 18 116.799 116.799 116.513 0.286 25124 15428 1 23 . 1 1 18 18 VAL HA H 18 3.662 3.662 2.692 0.970 25124 15429 1 23 . 1 1 18 18 VAL C C 18 179.161 179.161 177.838 1.323 25124 15430 1 23 . 1 1 18 18 VAL CA C 18 65.858 65.858 66.012 -0.154 25124 15431 1 23 . 1 1 18 18 VAL CB C 18 31.792 31.792 30.928 0.864 25124 15432 1 23 . 1 1 18 18 VAL H H 18 8.085 8.085 8.068 0.017 25124 15433 1 23 . 1 1 19 19 LEU N N 19 119.595 119.595 120.161 -0.566 25124 15434 1 23 . 1 1 19 19 LEU HA H 19 4.083 4.083 3.866 0.217 25124 15435 1 23 . 1 1 19 19 LEU C C 19 177.759 177.759 178.760 -1.001 25124 15436 1 23 . 1 1 19 19 LEU CA C 19 57.971 57.971 57.787 0.184 25124 15437 1 23 . 1 1 19 19 LEU CB C 19 41.863 41.863 41.662 0.201 25124 15438 1 23 . 1 1 19 19 LEU H H 19 8.035 8.035 7.150 0.885 25124 15439 1 23 . 1 1 20 20 GLU N N 20 120.318 120.318 119.884 0.434 25124 15440 1 23 . 1 1 20 20 GLU HA H 20 4.007 4.007 3.900 0.107 25124 15441 1 23 . 1 1 20 20 GLU C C 20 178.500 178.500 179.284 -0.784 25124 15442 1 23 . 1 1 20 20 GLU CA C 20 60.567 60.567 59.433 1.134 25124 15443 1 23 . 1 1 20 20 GLU CB C 20 29.073 29.073 29.442 -0.369 25124 15444 1 23 . 1 1 20 20 GLU H H 20 8.417 8.417 8.542 -0.125 25124 15445 1 23 . 1 1 21 21 ARG N N 21 115.981 115.981 117.517 -1.536 25124 15446 1 23 . 1 1 21 21 ARG HA H 21 3.898 3.898 3.981 -0.083 25124 15447 1 23 . 1 1 21 21 ARG C C 21 179.769 179.769 177.844 1.925 25124 15448 1 23 . 1 1 21 21 ARG CA C 21 58.491 58.491 58.412 0.079 25124 15449 1 23 . 1 1 21 21 ARG CB C 21 29.966 29.966 29.839 0.127 25124 15450 1 23 . 1 1 21 21 ARG H H 21 7.579 7.579 8.337 -0.758 25124 15451 1 23 . 1 1 22 22 ALA N N 22 122.267 122.267 121.952 0.315 25124 15452 1 23 . 1 1 22 22 ALA HA H 22 4.110 4.110 4.202 -0.092 25124 15453 1 23 . 1 1 22 22 ALA C C 22 180.456 180.456 179.628 0.828 25124 15454 1 23 . 1 1 22 22 ALA CA C 22 54.643 54.643 54.557 0.086 25124 15455 1 23 . 1 1 22 22 ALA CB C 22 19.225 19.225 18.712 0.513 25124 15456 1 23 . 1 1 22 22 ALA H H 22 7.933 7.933 7.634 0.299 25124 15457 1 23 . 1 1 23 23 LEU N N 23 118.139 118.139 120.044 -1.905 25124 15458 1 23 . 1 1 23 23 LEU HA H 23 4.005 4.005 3.929 0.076 25124 15459 1 23 . 1 1 23 23 LEU C C 23 178.843 178.843 179.131 -0.288 25124 15460 1 23 . 1 1 23 23 LEU CA C 23 57.765 57.765 58.075 -0.310 25124 15461 1 23 . 1 1 23 23 LEU CB C 23 39.919 39.919 41.387 -1.468 25124 15462 1 23 . 1 1 23 23 LEU H H 23 8.855 8.855 8.533 0.322 25124 15463 1 23 . 1 1 24 24 ALA N N 24 122.164 122.164 120.412 1.752 25124 15464 1 23 . 1 1 24 24 ALA HA H 24 4.665 4.665 4.056 0.609 25124 15465 1 23 . 1 1 24 24 ALA C C 24 183.206 183.206 179.661 3.545 25124 15466 1 23 . 1 1 24 24 ALA CA C 24 54.812 54.812 54.640 0.172 25124 15467 1 23 . 1 1 24 24 ALA CB C 24 17.820 17.820 18.346 -0.526 25124 15468 1 23 . 1 1 24 24 ALA H H 24 8.238 8.238 8.043 0.195 25124 15469 1 23 . 1 1 25 25 GLY N N 25 106.903 106.903 105.894 1.009 25124 15470 1 23 . 1 1 25 25 GLY C C 25 174.375 174.375 175.335 -0.960 25124 15471 1 23 . 1 1 25 25 GLY CA C 25 46.550 46.550 45.362 1.188 25124 15472 1 23 . 1 1 25 25 GLY H H 25 7.907 7.907 7.796 0.111 25124 15473 1 23 . 1 1 26 26 ALA N N 26 121.832 121.832 122.377 -0.545 25124 15474 1 23 . 1 1 26 26 ALA HA H 26 4.505 4.505 4.226 0.279 25124 15475 1 23 . 1 1 26 26 ALA CA C 26 51.585 51.585 52.712 -1.127 25124 15476 1 23 . 1 1 26 26 ALA CB C 26 18.799 18.799 19.628 -0.829 25124 15477 1 23 . 1 1 26 26 ALA H H 26 7.316 7.316 8.008 -0.692 25124 15478 1 23 . 1 1 27 27 GLY N N 27 106.146 106.146 105.334 0.812 25124 15479 1 23 . 1 1 27 27 GLY C C 27 174.057 174.057 174.497 -0.440 25124 15480 1 23 . 1 1 27 27 GLY CA C 27 45.333 45.333 44.783 0.550 25124 15481 1 23 . 1 1 27 27 GLY H H 27 7.868 7.868 8.250 -0.382 25124 15482 1 23 . 1 1 28 28 LEU N N 28 120.273 120.273 121.405 -1.132 25124 15483 1 23 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.310 0.265 25124 15484 1 23 . 1 1 28 28 LEU C C 28 175.988 175.988 177.232 -1.244 25124 15485 1 23 . 1 1 28 28 LEU CA C 28 53.881 53.881 54.675 -0.794 25124 15486 1 23 . 1 1 28 28 LEU CB C 28 42.540 42.540 42.301 0.239 25124 15487 1 23 . 1 1 28 28 LEU H H 28 7.659 7.659 7.552 0.107 25124 15488 1 23 . 1 1 29 29 THR N N 29 118.173 118.173 118.715 -0.542 25124 15489 1 23 . 1 1 29 29 THR HA H 29 4.346 4.346 4.142 0.204 25124 15490 1 23 . 1 1 29 29 THR C C 29 173.344 173.344 173.626 -0.282 25124 15491 1 23 . 1 1 29 29 THR CA C 29 62.598 62.598 63.689 -1.091 25124 15492 1 23 . 1 1 29 29 THR CB C 29 69.423 69.423 68.900 0.523 25124 15493 1 23 . 1 1 29 29 THR H H 29 8.562 8.562 8.131 0.431 25124 15494 1 23 . 1 1 30 30 CYS N N 30 128.450 128.450 127.565 0.885 25124 15495 1 23 . 1 1 30 30 CYS HA H 30 6.012 6.012 4.539 1.473 25124 15496 1 23 . 1 1 30 30 CYS C C 30 173.978 173.978 174.271 -0.293 25124 15497 1 23 . 1 1 30 30 CYS CA C 30 56.424 56.424 58.395 -1.971 25124 15498 1 23 . 1 1 30 30 CYS CB C 30 29.615 29.615 28.398 1.217 25124 15499 1 23 . 1 1 30 30 CYS H H 30 9.035 9.035 8.549 0.486 25124 15500 1 23 . 1 1 31 31 THR N N 31 126.377 126.377 123.635 2.742 25124 15501 1 23 . 1 1 31 31 THR HA H 31 4.442 4.442 4.538 -0.096 25124 15502 1 23 . 1 1 31 31 THR C C 31 172.683 172.683 172.881 -0.198 25124 15503 1 23 . 1 1 31 31 THR CA C 31 61.956 61.956 61.372 0.584 25124 15504 1 23 . 1 1 31 31 THR CB C 31 70.624 70.624 71.741 -1.117 25124 15505 1 23 . 1 1 31 31 THR H H 31 8.510 8.510 8.312 0.198 25124 15506 1 23 . 1 1 32 32 THR N N 32 115.988 115.988 112.916 3.072 25124 15507 1 23 . 1 1 32 32 THR HA H 32 5.454 5.454 4.727 0.727 25124 15508 1 23 . 1 1 32 32 THR C C 32 172.259 172.259 172.497 -0.238 25124 15509 1 23 . 1 1 32 32 THR CA C 32 59.101 59.101 60.908 -1.807 25124 15510 1 23 . 1 1 32 32 THR CB C 32 71.173 71.173 71.469 -0.296 25124 15511 1 23 . 1 1 32 32 THR H H 32 8.301 8.301 7.579 0.722 25124 15512 1 23 . 1 1 33 33 PHE N N 33 117.690 117.690 118.941 -1.251 25124 15513 1 23 . 1 1 33 33 PHE HA H 33 4.723 4.723 4.764 -0.041 25124 15514 1 23 . 1 1 33 33 PHE C C 33 174.507 174.507 175.813 -1.306 25124 15515 1 23 . 1 1 33 33 PHE CA C 33 56.504 56.504 58.159 -1.655 25124 15516 1 23 . 1 1 33 33 PHE CB C 33 43.589 43.589 42.053 1.536 25124 15517 1 23 . 1 1 33 33 PHE H H 33 8.834 8.834 8.542 0.292 25124 15518 1 23 . 1 1 34 34 GLU N N 34 118.296 118.296 117.535 0.761 25124 15519 1 23 . 1 1 34 34 GLU HA H 34 4.451 4.451 4.178 0.273 25124 15520 1 23 . 1 1 34 34 GLU C C 34 174.957 174.957 175.245 -0.288 25124 15521 1 23 . 1 1 34 34 GLU CA C 34 56.661 56.661 58.581 -1.920 25124 15522 1 23 . 1 1 34 34 GLU CB C 34 31.792 31.792 29.122 2.670 25124 15523 1 23 . 1 1 34 34 GLU H H 34 9.096 9.096 8.799 0.297 25124 15524 1 23 . 1 1 35 35 ASN N N 35 108.486 108.486 117.070 -8.584 25124 15525 1 23 . 1 1 35 35 ASN HA H 35 4.960 4.960 5.026 -0.066 25124 15526 1 23 . 1 1 35 35 ASN C C 35 175.353 175.353 176.428 -1.075 25124 15527 1 23 . 1 1 35 35 ASN CA C 35 52.364 52.364 51.940 0.424 25124 15528 1 23 . 1 1 35 35 ASN CB C 35 40.932 40.932 40.238 0.694 25124 15529 1 23 . 1 1 35 35 ASN H H 35 7.286 7.286 8.076 -0.790 25124 15530 1 23 . 1 1 36 36 GLY N N 36 105.329 105.329 110.936 -5.607 25124 15531 1 23 . 1 1 36 36 GLY C C 36 174.586 174.586 175.315 -0.729 25124 15532 1 23 . 1 1 36 36 GLY CA C 36 47.533 47.533 47.193 0.340 25124 15533 1 23 . 1 1 36 36 GLY H H 36 9.369 9.369 8.799 0.570 25124 15534 1 23 . 1 1 37 37 ASN N N 37 120.396 120.396 118.705 1.691 25124 15535 1 23 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.302 0.060 25124 15536 1 23 . 1 1 37 37 ASN C C 37 178.791 178.791 176.920 1.871 25124 15537 1 23 . 1 1 37 37 ASN CA C 37 56.843 56.843 56.262 0.581 25124 15538 1 23 . 1 1 37 37 ASN CB C 37 37.716 37.716 37.907 -0.191 25124 15539 1 23 . 1 1 37 37 ASN H H 37 8.440 8.440 8.295 0.145 25124 15540 1 23 . 1 1 38 38 GLU N N 38 119.334 119.334 119.673 -0.339 25124 15541 1 23 . 1 1 38 38 GLU HA H 38 4.058 4.058 4.148 -0.090 25124 15542 1 23 . 1 1 38 38 GLU C C 38 179.372 179.372 179.102 0.270 25124 15543 1 23 . 1 1 38 38 GLU CA C 38 58.790 58.790 59.252 -0.462 25124 15544 1 23 . 1 1 38 38 GLU CB C 38 30.692 30.692 29.819 0.873 25124 15545 1 23 . 1 1 38 38 GLU H H 38 8.063 8.063 7.875 0.188 25124 15546 1 23 . 1 1 39 39 VAL N N 39 119.047 119.047 120.326 -1.279 25124 15547 1 23 . 1 1 39 39 VAL HA H 39 2.599 2.599 2.602 -0.003 25124 15548 1 23 . 1 1 39 39 VAL C C 39 176.807 176.807 177.681 -0.874 25124 15549 1 23 . 1 1 39 39 VAL CA C 39 65.222 65.222 65.802 -0.580 25124 15550 1 23 . 1 1 39 39 VAL CB C 39 31.078 31.078 31.093 -0.015 25124 15551 1 23 . 1 1 39 39 VAL H H 39 6.844 6.844 7.301 -0.457 25124 15552 1 23 . 1 1 40 40 LEU N N 40 118.385 118.385 121.808 -3.423 25124 15553 1 23 . 1 1 40 40 LEU HA H 40 3.929 3.929 4.069 -0.140 25124 15554 1 23 . 1 1 40 40 LEU C C 40 179.584 179.584 178.888 0.696 25124 15555 1 23 . 1 1 40 40 LEU CA C 40 57.943 57.943 58.013 -0.070 25124 15556 1 23 . 1 1 40 40 LEU CB C 40 40.932 40.932 40.373 0.559 25124 15557 1 23 . 1 1 40 40 LEU H H 40 7.715 7.715 7.684 0.031 25124 15558 1 23 . 1 1 41 41 ALA N N 41 120.091 120.091 120.753 -0.662 25124 15559 1 23 . 1 1 41 41 ALA HA H 41 4.158 4.158 3.881 0.277 25124 15560 1 23 . 1 1 41 41 ALA C C 41 180.562 180.562 179.025 1.537 25124 15561 1 23 . 1 1 41 41 ALA CA C 41 54.717 54.717 55.005 -0.288 25124 15562 1 23 . 1 1 41 41 ALA CB C 41 17.853 17.853 17.942 -0.089 25124 15563 1 23 . 1 1 41 41 ALA H H 41 7.671 7.671 7.916 -0.245 25124 15564 1 23 . 1 1 42 42 ALA N N 42 122.650 122.650 120.322 2.328 25124 15565 1 23 . 1 1 42 42 ALA HA H 42 4.221 4.221 4.323 -0.102 25124 15566 1 23 . 1 1 42 42 ALA C C 42 180.166 180.166 179.733 0.433 25124 15567 1 23 . 1 1 42 42 ALA CA C 42 54.974 54.974 54.533 0.441 25124 15568 1 23 . 1 1 42 42 ALA CB C 42 19.488 19.488 18.262 1.226 25124 15569 1 23 . 1 1 42 42 ALA H H 42 7.573 7.573 7.417 0.156 25124 15570 1 23 . 1 1 43 43 LEU N N 43 119.321 119.321 120.949 -1.628 25124 15571 1 23 . 1 1 43 43 LEU HA H 43 5.260 5.260 4.644 0.616 25124 15572 1 23 . 1 1 43 43 LEU C C 43 177.389 177.389 179.736 -2.347 25124 15573 1 23 . 1 1 43 43 LEU CA C 43 55.446 55.446 57.710 -2.264 25124 15574 1 23 . 1 1 43 43 LEU CB C 43 42.879 42.879 42.179 0.700 25124 15575 1 23 . 1 1 43 43 LEU H H 43 8.289 8.289 8.362 -0.073 25124 15576 1 23 . 1 1 44 44 ALA N N 44 118.995 118.995 119.555 -0.560 25124 15577 1 23 . 1 1 44 44 ALA HA H 44 4.232 4.232 4.139 0.093 25124 15578 1 23 . 1 1 44 44 ALA C C 44 178.738 178.738 178.730 0.008 25124 15579 1 23 . 1 1 44 44 ALA CA C 44 54.353 54.353 54.635 -0.282 25124 15580 1 23 . 1 1 44 44 ALA CB C 44 18.674 18.674 18.698 -0.024 25124 15581 1 23 . 1 1 44 44 ALA H H 44 7.307 7.307 8.128 -0.821 25124 15582 1 23 . 1 1 45 45 SER N N 45 108.530 108.530 111.796 -3.266 25124 15583 1 23 . 1 1 45 45 SER HA H 45 4.761 4.761 4.526 0.235 25124 15584 1 23 . 1 1 45 45 SER C C 45 173.344 173.344 174.968 -1.624 25124 15585 1 23 . 1 1 45 45 SER CA C 45 58.682 58.682 60.632 -1.950 25124 15586 1 23 . 1 1 45 45 SER CB C 45 65.446 65.446 64.160 1.286 25124 15587 1 23 . 1 1 45 45 SER H H 45 7.772 7.772 7.533 0.239 25124 15588 1 23 . 1 1 46 46 LYS N N 46 122.965 122.965 119.206 3.759 25124 15589 1 23 . 1 1 46 46 LYS HA H 46 4.608 4.608 4.640 -0.032 25124 15590 1 23 . 1 1 46 46 LYS C C 46 172.815 172.815 174.344 -1.529 25124 15591 1 23 . 1 1 46 46 LYS CA C 46 55.601 55.601 55.760 -0.159 25124 15592 1 23 . 1 1 46 46 LYS CB C 46 36.399 36.399 36.849 -0.450 25124 15593 1 23 . 1 1 46 46 LYS H H 46 8.096 8.096 8.427 -0.331 25124 15594 1 23 . 1 1 47 47 THR N N 47 111.524 111.524 113.988 -2.464 25124 15595 1 23 . 1 1 47 47 THR HA H 47 4.307 4.307 4.527 -0.220 25124 15596 1 23 . 1 1 47 47 THR CA C 47 57.896 57.896 58.073 -0.177 25124 15597 1 23 . 1 1 47 47 THR CB C 47 70.570 70.570 69.496 1.073 25124 15598 1 23 . 1 1 47 47 THR H H 47 7.708 7.708 8.203 -0.495 25124 15599 1 23 . 1 1 48 48 PRO HA H 48 3.944 3.944 3.856 0.088 25124 15600 1 23 . 1 1 48 48 PRO C C 48 173.079 173.079 175.986 -2.907 25124 15601 1 23 . 1 1 48 48 PRO CA C 48 60.922 60.922 61.858 -0.937 25124 15602 1 23 . 1 1 48 48 PRO CB C 48 30.353 30.353 32.072 -1.719 25124 15603 1 23 . 1 1 49 49 ASP N N 49 115.001 115.001 119.317 -4.316 25124 15604 1 23 . 1 1 49 49 ASP HA H 49 4.460 4.460 4.503 -0.043 25124 15605 1 23 . 1 1 49 49 ASP C C 49 175.591 175.591 176.073 -0.482 25124 15606 1 23 . 1 1 49 49 ASP CA C 49 56.504 56.504 56.175 0.329 25124 15607 1 23 . 1 1 49 49 ASP CB C 49 42.625 42.625 42.208 0.417 25124 15608 1 23 . 1 1 49 49 ASP H H 49 8.535 8.535 8.104 0.431 25124 15609 1 23 . 1 1 50 50 VAL N N 50 111.832 111.832 117.423 -5.591 25124 15610 1 23 . 1 1 50 50 VAL HA H 50 4.316 4.316 4.147 0.169 25124 15611 1 23 . 1 1 50 50 VAL C C 50 171.572 171.572 174.478 -2.906 25124 15612 1 23 . 1 1 50 50 VAL CA C 50 60.398 60.398 60.591 -0.193 25124 15613 1 23 . 1 1 50 50 VAL CB C 50 34.650 34.650 32.133 2.517 25124 15614 1 23 . 1 1 50 50 VAL H H 50 7.194 7.194 7.410 -0.216 25124 15615 1 23 . 1 1 51 51 LEU N N 51 127.785 127.785 126.385 1.400 25124 15616 1 23 . 1 1 51 51 LEU HA H 51 5.376 5.376 5.005 0.371 25124 15617 1 23 . 1 1 51 51 LEU C C 51 173.264 173.264 175.467 -2.203 25124 15618 1 23 . 1 1 51 51 LEU CA C 51 53.137 53.137 53.724 -0.587 25124 15619 1 23 . 1 1 51 51 LEU CB C 51 46.680 46.680 44.481 2.199 25124 15620 1 23 . 1 1 51 51 LEU H H 51 8.049 8.049 8.287 -0.238 25124 15621 1 23 . 1 1 52 52 LEU N N 52 128.943 128.943 125.234 3.709 25124 15622 1 23 . 1 1 52 52 LEU HA H 52 5.312 5.312 5.096 0.216 25124 15623 1 23 . 1 1 52 52 LEU C C 52 174.692 174.692 176.081 -1.389 25124 15624 1 23 . 1 1 52 52 LEU CA C 52 54.313 54.313 53.719 0.594 25124 15625 1 23 . 1 1 52 52 LEU CB C 52 43.961 43.961 43.009 0.952 25124 15626 1 23 . 1 1 52 52 LEU H H 52 9.278 9.278 7.961 1.317 25124 15627 1 23 . 1 1 53 53 SER N N 53 116.717 116.717 117.095 -0.378 25124 15628 1 23 . 1 1 53 53 SER HA H 53 5.395 5.395 4.608 0.787 25124 15629 1 23 . 1 1 53 53 SER C C 53 173.608 173.608 173.144 0.464 25124 15630 1 23 . 1 1 53 53 SER CA C 53 56.226 56.226 57.584 -1.358 25124 15631 1 23 . 1 1 53 53 SER CB C 53 65.753 65.753 65.104 0.649 25124 15632 1 23 . 1 1 53 53 SER H H 53 9.256 9.256 8.148 1.108 25124 15633 1 23 . 1 1 54 54 ASP N N 54 127.909 127.909 121.053 6.856 25124 15634 1 23 . 1 1 54 54 ASP HA H 54 5.622 5.622 5.144 0.478 25124 15635 1 23 . 1 1 54 54 ASP C C 54 175.723 175.723 175.461 0.262 25124 15636 1 23 . 1 1 54 54 ASP CA C 54 53.268 53.268 52.154 1.114 25124 15637 1 23 . 1 1 54 54 ASP CB C 54 44.386 44.386 44.170 0.216 25124 15638 1 23 . 1 1 54 54 ASP H H 54 8.219 8.219 8.351 -0.132 25124 15639 1 23 . 1 1 55 55 ILE N N 55 117.015 117.015 117.327 -0.312 25124 15640 1 23 . 1 1 55 55 ILE HA H 55 4.116 4.116 4.488 -0.372 25124 15641 1 23 . 1 1 55 55 ILE C C 55 176.913 176.913 174.526 2.387 25124 15642 1 23 . 1 1 55 55 ILE CA C 55 65.290 65.290 59.448 5.842 25124 15643 1 23 . 1 1 55 55 ILE CB C 55 38.487 38.487 36.210 2.277 25124 15644 1 23 . 1 1 55 55 ILE H H 55 7.812 7.812 8.302 -0.490 25124 15645 1 23 . 1 1 56 56 ARG N N 56 117.365 117.365 123.009 -5.644 25124 15646 1 23 . 1 1 56 56 ARG HA H 56 4.379 4.379 4.438 -0.059 25124 15647 1 23 . 1 1 56 56 ARG C C 56 172.788 172.788 174.273 -1.485 25124 15648 1 23 . 1 1 56 56 ARG CA C 56 57.034 57.034 56.346 0.688 25124 15649 1 23 . 1 1 56 56 ARG CB C 56 27.600 27.600 30.746 -3.146 25124 15650 1 23 . 1 1 56 56 ARG H H 56 8.991 8.991 7.818 1.173 25124 15651 1 23 . 1 1 57 57 MET N N 57 129.539 129.539 117.404 12.135 25124 15652 1 23 . 1 1 57 57 MET HA H 57 4.767 4.767 5.077 -0.310 25124 15653 1 23 . 1 1 57 57 MET CA C 57 53.641 53.641 52.740 0.901 25124 15654 1 23 . 1 1 57 57 MET CB C 57 36.484 36.484 33.375 3.109 25124 15655 1 23 . 1 1 57 57 MET H H 57 7.501 7.501 7.718 -0.217 25124 15656 1 23 . 1 1 58 58 PRO HA H 58 4.379 4.379 4.434 -0.055 25124 15657 1 23 . 1 1 58 58 PRO C C 58 177.495 177.495 177.529 -0.034 25124 15658 1 23 . 1 1 58 58 PRO CA C 58 63.104 63.104 63.845 -0.741 25124 15659 1 23 . 1 1 58 58 PRO CB C 58 31.922 31.922 32.246 -0.324 25124 15660 1 23 . 1 1 59 59 GLY N N 59 112.312 112.312 108.205 4.107 25124 15661 1 23 . 1 1 59 59 GLY C C 59 173.793 173.793 174.776 -0.983 25124 15662 1 23 . 1 1 59 59 GLY CA C 59 46.430 46.430 46.640 -0.210 25124 15663 1 23 . 1 1 59 59 GLY H H 59 8.656 8.656 8.555 0.101 25124 15664 1 23 . 1 1 60 60 MET N N 60 124.343 124.343 117.200 7.143 25124 15665 1 23 . 1 1 60 60 MET HA H 60 4.344 4.344 4.576 -0.232 25124 15666 1 23 . 1 1 60 60 MET C C 60 174.190 174.190 174.440 -0.250 25124 15667 1 23 . 1 1 60 60 MET CA C 60 55.871 55.871 55.887 -0.016 25124 15668 1 23 . 1 1 60 60 MET CB C 60 34.955 34.955 35.095 -0.140 25124 15669 1 23 . 1 1 60 60 MET H H 60 7.778 7.778 8.200 -0.422 25124 15670 1 23 . 1 1 61 61 ASP N N 61 124.993 124.993 116.323 8.670 25124 15671 1 23 . 1 1 61 61 ASP HA H 61 4.870 4.870 4.682 0.188 25124 15672 1 23 . 1 1 61 61 ASP C C 61 176.966 176.966 176.494 0.472 25124 15673 1 23 . 1 1 61 61 ASP CA C 61 53.490 53.490 53.645 -0.155 25124 15674 1 23 . 1 1 61 61 ASP CB C 61 42.347 42.347 42.232 0.115 25124 15675 1 23 . 1 1 61 61 ASP H H 61 8.378 8.378 7.706 0.672 25124 15676 1 23 . 1 1 62 62 GLY N N 62 105.163 105.163 107.778 -2.615 25124 15677 1 23 . 1 1 62 62 GLY C C 62 175.935 175.935 176.016 -0.081 25124 15678 1 23 . 1 1 62 62 GLY CA C 62 46.755 46.755 46.851 -0.096 25124 15679 1 23 . 1 1 62 62 GLY H H 62 10.153 10.153 8.643 1.510 25124 15680 1 23 . 1 1 63 63 LEU N N 63 120.509 120.509 120.394 0.115 25124 15681 1 23 . 1 1 63 63 LEU HA H 63 4.293 4.293 4.182 0.111 25124 15682 1 23 . 1 1 63 63 LEU C C 63 179.293 179.293 178.551 0.742 25124 15683 1 23 . 1 1 63 63 LEU CA C 63 57.148 57.148 55.927 1.221 25124 15684 1 23 . 1 1 63 63 LEU CB C 63 40.053 40.053 41.684 -1.631 25124 15685 1 23 . 1 1 63 63 LEU H H 63 8.119 8.119 7.997 0.122 25124 15686 1 23 . 1 1 64 64 ALA N N 64 126.234 126.234 123.011 3.223 25124 15687 1 23 . 1 1 64 64 ALA HA H 64 4.112 4.112 4.151 -0.039 25124 15688 1 23 . 1 1 64 64 ALA C C 64 181.223 181.223 178.385 2.838 25124 15689 1 23 . 1 1 64 64 ALA CA C 64 54.802 54.802 54.689 0.113 25124 15690 1 23 . 1 1 64 64 ALA CB C 64 18.133 18.133 18.796 -0.663 25124 15691 1 23 . 1 1 64 64 ALA H H 64 8.303 8.303 7.842 0.461 25124 15692 1 23 . 1 1 65 65 LEU N N 65 120.067 120.067 118.319 1.748 25124 15693 1 23 . 1 1 65 65 LEU HA H 65 4.044 4.044 4.251 -0.207 25124 15694 1 23 . 1 1 65 65 LEU C C 65 177.548 177.548 178.867 -1.319 25124 15695 1 23 . 1 1 65 65 LEU CA C 65 58.197 58.197 56.893 1.304 25124 15696 1 23 . 1 1 65 65 LEU CB C 65 41.727 41.727 42.700 -0.973 25124 15697 1 23 . 1 1 65 65 LEU H H 65 8.398 8.398 7.551 0.847 25124 15698 1 23 . 1 1 66 66 LEU N N 66 120.890 120.890 120.672 0.218 25124 15699 1 23 . 1 1 66 66 LEU HA H 66 3.848 3.848 4.014 -0.166 25124 15700 1 23 . 1 1 66 66 LEU C C 66 177.230 177.230 177.764 -0.534 25124 15701 1 23 . 1 1 66 66 LEU CA C 66 58.736 58.736 57.506 1.230 25124 15702 1 23 . 1 1 66 66 LEU CB C 66 41.803 41.803 41.743 0.060 25124 15703 1 23 . 1 1 66 66 LEU H H 66 8.203 8.203 7.829 0.374 25124 15704 1 23 . 1 1 67 67 LYS N N 67 116.919 116.919 118.270 -1.351 25124 15705 1 23 . 1 1 67 67 LYS HA H 67 4.004 4.004 3.907 0.097 25124 15706 1 23 . 1 1 67 67 LYS C C 67 179.452 179.452 178.880 0.572 25124 15707 1 23 . 1 1 67 67 LYS CA C 67 59.733 59.733 58.970 0.763 25124 15708 1 23 . 1 1 67 67 LYS CB C 67 32.415 32.415 32.013 0.402 25124 15709 1 23 . 1 1 67 67 LYS H H 67 7.667 7.667 7.664 0.003 25124 15710 1 23 . 1 1 68 68 GLN N N 68 116.851 116.851 118.373 -1.522 25124 15711 1 23 . 1 1 68 68 GLN HA H 68 4.046 4.046 4.070 -0.024 25124 15712 1 23 . 1 1 68 68 GLN C C 68 179.319 179.319 178.222 1.097 25124 15713 1 23 . 1 1 68 68 GLN CA C 68 58.820 58.820 58.818 0.002 25124 15714 1 23 . 1 1 68 68 GLN CB C 68 28.660 28.660 29.399 -0.739 25124 15715 1 23 . 1 1 68 68 GLN H H 68 7.677 7.677 7.568 0.109 25124 15716 1 23 . 1 1 69 69 ILE N N 69 120.670 120.670 115.516 5.154 25124 15717 1 23 . 1 1 69 69 ILE HA H 69 3.564 3.564 3.814 -0.250 25124 15718 1 23 . 1 1 69 69 ILE C C 69 177.786 177.786 177.585 0.201 25124 15719 1 23 . 1 1 69 69 ILE CA C 69 65.381 65.381 64.135 1.246 25124 15720 1 23 . 1 1 69 69 ILE CB C 69 37.186 37.186 37.389 -0.203 25124 15721 1 23 . 1 1 69 69 ILE H H 69 8.918 8.918 7.381 1.537 25124 15722 1 23 . 1 1 70 70 LYS N N 70 118.002 118.002 117.491 0.511 25124 15723 1 23 . 1 1 70 70 LYS HA H 70 3.936 3.936 4.175 -0.239 25124 15724 1 23 . 1 1 70 70 LYS C C 70 177.944 177.944 178.233 -0.289 25124 15725 1 23 . 1 1 70 70 LYS CA C 70 57.351 57.351 57.687 -0.335 25124 15726 1 23 . 1 1 70 70 LYS CB C 70 31.440 31.440 32.345 -0.905 25124 15727 1 23 . 1 1 70 70 LYS H H 70 8.592 8.592 8.088 0.504 25124 15728 1 23 . 1 1 71 71 GLN N N 71 114.891 114.891 117.862 -2.971 25124 15729 1 23 . 1 1 71 71 GLN HA H 71 4.063 4.063 4.222 -0.159 25124 15730 1 23 . 1 1 71 71 GLN C C 71 177.019 177.019 178.168 -1.149 25124 15731 1 23 . 1 1 71 71 GLN CA C 71 58.007 58.007 57.073 0.934 25124 15732 1 23 . 1 1 71 71 GLN CB C 71 29.168 29.168 29.455 -0.287 25124 15733 1 23 . 1 1 71 71 GLN H H 71 7.266 7.266 7.485 -0.219 25124 15734 1 23 . 1 1 72 72 ARG N N 72 116.364 116.364 119.370 -3.006 25124 15735 1 23 . 1 1 72 72 ARG HA H 72 4.130 4.130 3.956 0.174 25124 15736 1 23 . 1 1 72 72 ARG C C 72 175.803 175.803 175.627 0.176 25124 15737 1 23 . 1 1 72 72 ARG CA C 72 57.174 57.174 58.203 -1.029 25124 15738 1 23 . 1 1 72 72 ARG CB C 72 32.638 32.638 30.440 2.198 25124 15739 1 23 . 1 1 72 72 ARG H H 72 7.254 7.254 8.188 -0.934 25124 15740 1 23 . 1 1 73 73 HIS N N 73 116.981 116.981 109.915 7.066 25124 15741 1 23 . 1 1 73 73 HIS HA H 73 4.994 4.994 4.888 0.106 25124 15742 1 23 . 1 1 73 73 HIS CA C 73 53.252 53.252 53.299 -0.047 25124 15743 1 23 . 1 1 73 73 HIS CB C 73 31.026 31.026 29.543 1.483 25124 15744 1 23 . 1 1 73 73 HIS H H 73 8.828 8.828 7.177 1.651 25124 15745 1 23 . 1 1 74 74 PRO HA H 74 4.435 4.435 4.546 -0.111 25124 15746 1 23 . 1 1 74 74 PRO C C 74 178.156 178.156 177.037 1.119 25124 15747 1 23 . 1 1 74 74 PRO CA C 74 65.284 65.284 63.789 1.495 25124 15748 1 23 . 1 1 74 74 PRO CB C 74 32.130 32.130 31.885 0.245 25124 15749 1 23 . 1 1 75 75 MET N N 75 114.676 114.676 116.185 -1.509 25124 15750 1 23 . 1 1 75 75 MET HA H 75 4.587 4.587 4.340 0.247 25124 15751 1 23 . 1 1 75 75 MET C C 75 176.067 176.067 175.901 0.166 25124 15752 1 23 . 1 1 75 75 MET CA C 75 54.304 54.304 56.428 -2.124 25124 15753 1 23 . 1 1 75 75 MET CB C 75 31.623 31.623 32.417 -0.794 25124 15754 1 23 . 1 1 75 75 MET H H 75 8.648 8.648 8.029 0.619 25124 15755 1 23 . 1 1 76 76 LEU N N 76 125.720 125.720 117.339 8.381 25124 15756 1 23 . 1 1 76 76 LEU HA H 76 4.293 4.293 4.471 -0.178 25124 15757 1 23 . 1 1 76 76 LEU CA C 76 53.472 53.472 52.026 1.446 25124 15758 1 23 . 1 1 76 76 LEU CB C 76 43.540 43.540 41.666 1.873 25124 15759 1 23 . 1 1 76 76 LEU H H 76 7.342 7.342 7.240 0.102 25124 15760 1 23 . 1 1 77 77 PRO HA H 77 4.440 4.440 4.545 -0.105 25124 15761 1 23 . 1 1 77 77 PRO C C 77 175.062 175.062 175.453 -0.391 25124 15762 1 23 . 1 1 77 77 PRO CA C 77 62.841 62.841 62.642 0.199 25124 15763 1 23 . 1 1 77 77 PRO CB C 77 31.903 31.903 32.646 -0.743 25124 15764 1 23 . 1 1 78 78 VAL N N 78 123.116 123.116 118.241 4.875 25124 15765 1 23 . 1 1 78 78 VAL HA H 78 5.093 5.093 4.722 0.371 25124 15766 1 23 . 1 1 78 78 VAL C C 78 175.776 175.776 174.810 0.966 25124 15767 1 23 . 1 1 78 78 VAL CA C 78 60.083 60.083 61.417 -1.334 25124 15768 1 23 . 1 1 78 78 VAL CB C 78 34.245 34.245 35.724 -1.478 25124 15769 1 23 . 1 1 78 78 VAL H H 78 8.369 8.369 8.289 0.080 25124 15770 1 23 . 1 1 79 79 ILE N N 79 129.166 129.166 124.892 4.274 25124 15771 1 23 . 1 1 79 79 ILE HA H 79 4.499 4.499 4.599 -0.100 25124 15772 1 23 . 1 1 79 79 ILE C C 79 174.295 174.295 174.808 -0.513 25124 15773 1 23 . 1 1 79 79 ILE CA C 79 60.030 60.030 59.937 0.093 25124 15774 1 23 . 1 1 79 79 ILE CB C 79 40.222 40.222 41.335 -1.113 25124 15775 1 23 . 1 1 79 79 ILE H H 79 9.436 9.436 7.845 1.591 25124 15776 1 23 . 1 1 80 80 ILE N N 80 128.234 128.234 125.795 2.439 25124 15777 1 23 . 1 1 80 80 ILE HA H 80 5.253 5.253 4.609 0.644 25124 15778 1 23 . 1 1 80 80 ILE C C 80 173.449 173.449 175.242 -1.793 25124 15779 1 23 . 1 1 80 80 ILE CA C 80 56.265 56.265 59.241 -2.976 25124 15780 1 23 . 1 1 80 80 ILE CB C 80 38.176 38.176 38.055 0.121 25124 15781 1 23 . 1 1 80 80 ILE H H 80 7.920 7.920 8.144 -0.224 25124 15782 1 23 . 1 1 81 81 MET N N 81 124.079 124.079 125.145 -1.066 25124 15783 1 23 . 1 1 81 81 MET HA H 81 5.489 5.489 4.755 0.734 25124 15784 1 23 . 1 1 81 81 MET C C 81 173.820 173.820 174.048 -0.228 25124 15785 1 23 . 1 1 81 81 MET CA C 81 52.889 52.889 54.894 -2.005 25124 15786 1 23 . 1 1 81 81 MET CB C 81 36.663 36.663 35.687 0.976 25124 15787 1 23 . 1 1 81 81 MET H H 81 9.028 9.028 8.592 0.436 25124 15788 1 23 . 1 1 82 82 THR N N 82 108.434 108.434 115.624 -7.190 25124 15789 1 23 . 1 1 82 82 THR HA H 82 5.134 5.134 4.520 0.614 25124 15790 1 23 . 1 1 82 82 THR C C 82 172.550 172.550 172.272 0.278 25124 15791 1 23 . 1 1 82 82 THR CA C 82 60.642 60.642 61.015 -0.373 25124 15792 1 23 . 1 1 82 82 THR CB C 82 68.843 68.843 70.352 -1.509 25124 15793 1 23 . 1 1 82 82 THR H H 82 7.098 7.098 7.995 -0.897 25124 15794 1 23 . 1 1 83 83 ALA N N 83 128.991 128.991 123.458 5.533 25124 15795 1 23 . 1 1 83 83 ALA HA H 83 4.678 4.678 4.851 -0.173 25124 15796 1 23 . 1 1 83 83 ALA C C 83 177.812 177.812 177.229 0.583 25124 15797 1 23 . 1 1 83 83 ALA CA C 83 52.457 52.457 50.653 1.804 25124 15798 1 23 . 1 1 83 83 ALA CB C 83 19.396 19.396 21.265 -1.869 25124 15799 1 23 . 1 1 83 83 ALA H H 83 8.590 8.590 8.459 0.131 25124 15800 1 23 . 1 1 84 84 HIS N N 84 121.904 121.904 116.407 5.497 25124 15801 1 23 . 1 1 84 84 HIS HA H 84 4.576 4.576 4.221 0.355 25124 15802 1 23 . 1 1 84 84 HIS C C 84 175.512 175.512 175.923 -0.411 25124 15803 1 23 . 1 1 84 84 HIS CA C 84 56.674 56.674 58.077 -1.403 25124 15804 1 23 . 1 1 84 84 HIS CB C 84 29.589 29.589 29.478 0.111 25124 15805 1 23 . 1 1 84 84 HIS H H 84 8.865 8.865 9.012 -0.147 25124 15806 1 23 . 1 1 85 85 SER N N 85 114.679 114.679 115.040 -0.361 25124 15807 1 23 . 1 1 85 85 SER HA H 85 4.303 4.303 4.018 0.285 25124 15808 1 23 . 1 1 85 85 SER C C 85 174.560 174.560 174.126 0.434 25124 15809 1 23 . 1 1 85 85 SER CA C 85 58.970 58.970 58.710 0.260 25124 15810 1 23 . 1 1 85 85 SER CB C 85 62.829 62.829 63.140 -0.311 25124 15811 1 23 . 1 1 85 85 SER H H 85 8.016 8.016 7.559 0.457 25124 15812 1 23 . 1 1 86 86 ASP N N 86 122.325 122.325 124.205 -1.880 25124 15813 1 23 . 1 1 86 86 ASP HA H 86 4.761 4.761 4.322 0.439 25124 15814 1 23 . 1 1 86 86 ASP C C 86 176.094 176.094 177.025 -0.931 25124 15815 1 23 . 1 1 86 86 ASP CA C 86 53.627 53.627 55.483 -1.856 25124 15816 1 23 . 1 1 86 86 ASP CB C 86 40.942 40.942 40.659 0.283 25124 15817 1 23 . 1 1 86 86 ASP H H 86 8.054 8.054 8.648 -0.594 25124 15818 1 23 . 1 1 87 87 LEU N N 87 122.041 122.041 120.362 1.679 25124 15819 1 23 . 1 1 87 87 LEU HA H 87 4.069 4.069 4.106 -0.037 25124 15820 1 23 . 1 1 87 87 LEU C C 87 177.892 177.892 177.559 0.333 25124 15821 1 23 . 1 1 87 87 LEU CA C 87 57.182 57.182 57.085 0.097 25124 15822 1 23 . 1 1 87 87 LEU CB C 87 42.015 42.015 41.822 0.194 25124 15823 1 23 . 1 1 87 87 LEU H H 87 8.005 8.005 7.498 0.507 25124 15824 1 23 . 1 1 88 88 ASP N N 88 118.050 118.050 120.366 -2.316 25124 15825 1 23 . 1 1 88 88 ASP HA H 88 4.370 4.370 4.208 0.162 25124 15826 1 23 . 1 1 88 88 ASP C C 88 178.103 178.103 177.784 0.319 25124 15827 1 23 . 1 1 88 88 ASP CA C 88 56.342 56.342 57.316 -0.975 25124 15828 1 23 . 1 1 88 88 ASP CB C 88 40.280 40.280 40.354 -0.074 25124 15829 1 23 . 1 1 88 88 ASP H H 88 8.243 8.243 8.521 -0.278 25124 15830 1 23 . 1 1 89 89 ALA N N 89 122.780 122.780 121.534 1.246 25124 15831 1 23 . 1 1 89 89 ALA HA H 89 4.038 4.038 3.835 0.203 25124 15832 1 23 . 1 1 89 89 ALA C C 89 178.526 178.526 178.633 -0.107 25124 15833 1 23 . 1 1 89 89 ALA CA C 89 54.655 54.655 54.684 -0.030 25124 15834 1 23 . 1 1 89 89 ALA CB C 89 18.809 18.809 18.355 0.454 25124 15835 1 23 . 1 1 89 89 ALA H H 89 7.890 7.890 7.550 0.340 25124 15836 1 23 . 1 1 90 90 ALA N N 90 120.040 120.040 120.623 -0.583 25124 15837 1 23 . 1 1 90 90 ALA HA H 90 3.254 3.254 3.696 -0.442 25124 15838 1 23 . 1 1 90 90 ALA C C 90 178.976 178.976 178.926 0.050 25124 15839 1 23 . 1 1 90 90 ALA CA C 90 55.050 55.050 54.564 0.486 25124 15840 1 23 . 1 1 90 90 ALA CB C 90 17.725 17.725 18.119 -0.394 25124 15841 1 23 . 1 1 90 90 ALA H H 90 7.513 7.513 7.778 -0.265 25124 15842 1 23 . 1 1 91 91 VAL N N 91 116.635 116.635 117.984 -1.349 25124 15843 1 23 . 1 1 91 91 VAL HA H 91 3.637 3.637 3.818 -0.181 25124 15844 1 23 . 1 1 91 91 VAL C C 91 178.632 178.632 177.910 0.722 25124 15845 1 23 . 1 1 91 91 VAL CA C 91 65.971 65.971 64.840 1.131 25124 15846 1 23 . 1 1 91 91 VAL CB C 91 31.623 31.623 31.280 0.343 25124 15847 1 23 . 1 1 91 91 VAL H H 91 7.877 7.877 7.639 0.238 25124 15848 1 23 . 1 1 92 92 SER N N 92 115.439 115.439 115.412 0.027 25124 15849 1 23 . 1 1 92 92 SER HA H 92 4.215 4.215 4.032 0.183 25124 15850 1 23 . 1 1 92 92 SER C C 92 175.961 175.961 176.452 -0.491 25124 15851 1 23 . 1 1 92 92 SER CA C 92 61.401 61.401 61.854 -0.453 25124 15852 1 23 . 1 1 92 92 SER CB C 92 62.966 62.966 62.935 0.030 25124 15853 1 23 . 1 1 92 92 SER H H 92 7.912 7.912 7.556 0.356 25124 15854 1 23 . 1 1 93 93 ALA N N 93 122.647 122.647 123.076 -0.429 25124 15855 1 23 . 1 1 93 93 ALA HA H 93 3.786 3.786 3.985 -0.199 25124 15856 1 23 . 1 1 93 93 ALA C C 93 179.293 179.293 179.724 -0.431 25124 15857 1 23 . 1 1 93 93 ALA CA C 93 55.172 55.172 54.702 0.470 25124 15858 1 23 . 1 1 93 93 ALA CB C 93 17.161 17.161 18.113 -0.952 25124 15859 1 23 . 1 1 93 93 ALA H H 93 8.199 8.199 7.831 0.368 25124 15860 1 23 . 1 1 94 94 TYR N N 94 117.796 117.796 118.527 -0.731 25124 15861 1 23 . 1 1 94 94 TYR HA H 94 4.283 4.283 4.172 0.111 25124 15862 1 23 . 1 1 94 94 TYR C C 94 179.954 179.954 178.436 1.518 25124 15863 1 23 . 1 1 94 94 TYR CA C 94 61.216 61.216 59.855 1.361 25124 15864 1 23 . 1 1 94 94 TYR CB C 94 37.716 37.716 37.503 0.213 25124 15865 1 23 . 1 1 94 94 TYR H H 94 8.065 8.065 7.373 0.692 25124 15866 1 23 . 1 1 95 95 GLN N N 95 120.057 120.057 116.252 3.805 25124 15867 1 23 . 1 1 95 95 GLN HA H 95 4.005 4.005 4.053 -0.048 25124 15868 1 23 . 1 1 95 95 GLN C C 95 177.680 177.680 177.997 -0.317 25124 15869 1 23 . 1 1 95 95 GLN CA C 95 58.471 58.471 58.100 0.371 25124 15870 1 23 . 1 1 95 95 GLN CB C 95 28.334 28.334 28.387 -0.052 25124 15871 1 23 . 1 1 95 95 GLN H H 95 8.513 8.513 7.848 0.665 25124 15872 1 23 . 1 1 96 96 GLN N N 96 115.323 115.323 116.526 -1.203 25124 15873 1 23 . 1 1 96 96 GLN HA H 96 4.321 4.321 4.365 -0.044 25124 15874 1 23 . 1 1 96 96 GLN C C 96 175.538 175.538 176.001 -0.463 25124 15875 1 23 . 1 1 96 96 GLN CA C 96 55.379 55.379 55.904 -0.525 25124 15876 1 23 . 1 1 96 96 GLN CB C 96 28.915 28.915 29.808 -0.893 25124 15877 1 23 . 1 1 96 96 GLN H H 96 7.774 7.774 7.677 0.097 25124 15878 1 23 . 1 1 97 97 GLY N N 97 104.173 104.173 106.463 -2.290 25124 15879 1 23 . 1 1 97 97 GLY C C 97 175.168 175.168 173.629 1.539 25124 15880 1 23 . 1 1 97 97 GLY CA C 97 45.491 45.491 44.580 0.911 25124 15881 1 23 . 1 1 97 97 GLY H H 97 7.576 7.576 7.578 -0.002 25124 15882 1 23 . 1 1 98 98 ALA N N 98 123.484 123.484 121.589 1.895 25124 15883 1 23 . 1 1 98 98 ALA HA H 98 4.266 4.266 4.413 -0.147 25124 15884 1 23 . 1 1 98 98 ALA C C 98 176.067 176.067 176.570 -0.503 25124 15885 1 23 . 1 1 98 98 ALA CA C 98 53.008 53.008 52.181 0.827 25124 15886 1 23 . 1 1 98 98 ALA CB C 98 18.556 18.556 20.056 -1.500 25124 15887 1 23 . 1 1 98 98 ALA H H 98 8.358 8.358 7.614 0.744 25124 15888 1 23 . 1 1 99 99 PHE N N 99 123.551 123.551 121.201 2.350 25124 15889 1 23 . 1 1 99 99 PHE HA H 99 4.259 4.259 4.623 -0.364 25124 15890 1 23 . 1 1 99 99 PHE C C 99 175.432 175.432 175.690 -0.258 25124 15891 1 23 . 1 1 99 99 PHE CA C 99 60.274 60.274 60.176 0.098 25124 15892 1 23 . 1 1 99 99 PHE CB C 99 40.375 40.375 40.915 -0.540 25124 15893 1 23 . 1 1 99 99 PHE H H 99 9.477 9.477 8.413 1.064 25124 15894 1 23 . 1 1 100 100 ASP N N 100 110.678 110.678 114.528 -3.850 25124 15895 1 23 . 1 1 100 100 ASP HA H 100 4.547 4.547 5.035 -0.488 25124 15896 1 23 . 1 1 100 100 ASP C C 100 173.053 173.053 173.804 -0.751 25124 15897 1 23 . 1 1 100 100 ASP CA C 100 52.527 52.527 54.317 -1.790 25124 15898 1 23 . 1 1 100 100 ASP CB C 100 44.789 44.789 43.719 1.070 25124 15899 1 23 . 1 1 100 100 ASP H H 100 7.683 7.683 8.151 -0.468 25124 15900 1 23 . 1 1 101 101 TYR N N 101 122.174 122.174 121.880 0.294 25124 15901 1 23 . 1 1 101 101 TYR HA H 101 5.425 5.425 5.467 -0.042 25124 15902 1 23 . 1 1 101 101 TYR C C 101 172.550 172.550 174.591 -2.041 25124 15903 1 23 . 1 1 101 101 TYR CA C 101 55.865 55.865 56.133 -0.268 25124 15904 1 23 . 1 1 101 101 TYR CB C 101 41.760 41.760 39.720 2.040 25124 15905 1 23 . 1 1 101 101 TYR H H 101 9.874 9.874 8.668 1.206 25124 15906 1 23 . 1 1 102 102 LEU N N 102 129.337 129.337 129.571 -0.234 25124 15907 1 23 . 1 1 102 102 LEU HA H 102 4.677 4.677 4.656 0.021 25124 15908 1 23 . 1 1 102 102 LEU CA C 102 50.418 50.418 50.703 -0.285 25124 15909 1 23 . 1 1 102 102 LEU CB C 102 45.066 45.066 43.531 1.535 25124 15910 1 23 . 1 1 102 102 LEU H H 102 8.974 8.974 8.338 0.636 25124 15911 1 23 . 1 1 103 103 PRO HA H 103 4.552 4.552 4.393 0.159 25124 15912 1 23 . 1 1 103 103 PRO C C 103 176.067 176.067 175.719 0.348 25124 15913 1 23 . 1 1 103 103 PRO CA C 103 61.951 61.951 62.336 -0.385 25124 15914 1 23 . 1 1 103 103 PRO CB C 103 31.829 31.829 32.489 -0.660 25124 15915 1 23 . 1 1 104 104 LYS N N 104 118.403 118.403 121.928 -3.525 25124 15916 1 23 . 1 1 104 104 LYS HA H 104 4.459 4.459 5.036 -0.577 25124 15917 1 23 . 1 1 104 104 LYS CA C 104 53.204 53.204 53.643 -0.439 25124 15918 1 23 . 1 1 104 104 LYS CB C 104 34.500 34.500 31.691 2.809 25124 15919 1 23 . 1 1 104 104 LYS H H 104 8.013 8.013 8.169 -0.156 25124 15920 1 23 . 1 1 105 105 PRO HA H 105 4.258 4.258 4.525 -0.267 25124 15921 1 23 . 1 1 105 105 PRO C C 105 174.930 174.930 175.906 -0.976 25124 15922 1 23 . 1 1 105 105 PRO CA C 105 62.213 62.213 63.197 -0.984 25124 15923 1 23 . 1 1 105 105 PRO CB C 105 34.151 34.151 32.054 2.097 25124 15924 1 23 . 1 1 106 106 PHE N N 106 116.796 116.796 118.640 -1.844 25124 15925 1 23 . 1 1 106 106 PHE HA H 106 5.169 5.169 4.794 0.375 25124 15926 1 23 . 1 1 106 106 PHE C C 106 175.194 175.194 174.688 0.506 25124 15927 1 23 . 1 1 106 106 PHE CA C 106 53.244 53.244 55.970 -2.726 25124 15928 1 23 . 1 1 106 106 PHE CB C 106 40.477 40.477 41.099 -0.622 25124 15929 1 23 . 1 1 106 106 PHE H H 106 7.399 7.399 7.688 -0.289 25124 15930 1 23 . 1 1 107 107 ASP N N 107 122.212 122.212 123.802 -1.590 25124 15931 1 23 . 1 1 107 107 ASP HA H 107 4.823 4.823 4.775 0.048 25124 15932 1 23 . 1 1 107 107 ASP C C 107 177.812 177.812 177.635 0.177 25124 15933 1 23 . 1 1 107 107 ASP CA C 107 53.392 53.392 53.535 -0.143 25124 15934 1 23 . 1 1 107 107 ASP CB C 107 42.455 42.455 41.685 0.770 25124 15935 1 23 . 1 1 107 107 ASP H H 107 9.047 9.047 8.598 0.449 25124 15936 1 23 . 1 1 108 108 ILE N N 108 127.963 127.963 122.722 5.241 25124 15937 1 23 . 1 1 108 108 ILE HA H 108 3.949 3.949 3.957 -0.008 25124 15938 1 23 . 1 1 108 108 ILE C C 108 176.226 176.226 176.793 -0.567 25124 15939 1 23 . 1 1 108 108 ILE CA C 108 63.105 63.105 64.322 -1.217 25124 15940 1 23 . 1 1 108 108 ILE CB C 108 37.665 37.665 37.518 0.147 25124 15941 1 23 . 1 1 108 108 ILE H H 108 8.898 8.898 8.386 0.512 25124 15942 1 23 . 1 1 109 109 ASP N N 109 119.804 119.804 120.686 -0.882 25124 15943 1 23 . 1 1 109 109 ASP HA H 109 4.393 4.393 4.281 0.112 25124 15944 1 23 . 1 1 109 109 ASP C C 109 179.848 179.848 178.353 1.495 25124 15945 1 23 . 1 1 109 109 ASP CA C 109 57.483 57.483 57.812 -0.329 25124 15946 1 23 . 1 1 109 109 ASP CB C 109 39.986 39.986 40.750 -0.764 25124 15947 1 23 . 1 1 109 109 ASP H H 109 8.098 8.098 8.501 -0.403 25124 15948 1 23 . 1 1 110 110 GLU N N 110 121.667 121.667 118.620 3.047 25124 15949 1 23 . 1 1 110 110 GLU HA H 110 4.085 4.085 4.302 -0.217 25124 15950 1 23 . 1 1 110 110 GLU C C 110 178.976 178.976 178.174 0.802 25124 15951 1 23 . 1 1 110 110 GLU CA C 110 58.790 58.790 58.258 0.532 25124 15952 1 23 . 1 1 110 110 GLU CB C 110 29.330 29.330 29.960 -0.631 25124 15953 1 23 . 1 1 110 110 GLU H H 110 8.059 8.059 8.116 -0.057 25124 15954 1 23 . 1 1 111 111 ALA N N 111 122.208 122.208 123.062 -0.854 25124 15955 1 23 . 1 1 111 111 ALA HA H 111 3.758 3.758 4.181 -0.423 25124 15956 1 23 . 1 1 111 111 ALA C C 111 178.605 178.605 179.390 -0.785 25124 15957 1 23 . 1 1 111 111 ALA CA C 111 55.320 55.320 54.955 0.365 25124 15958 1 23 . 1 1 111 111 ALA CB C 111 18.174 18.174 18.625 -0.451 25124 15959 1 23 . 1 1 111 111 ALA H H 111 7.903 7.903 7.489 0.414 25124 15960 1 23 . 1 1 112 112 VAL N N 112 116.429 116.429 118.602 -2.173 25124 15961 1 23 . 1 1 112 112 VAL HA H 112 3.194 3.194 3.565 -0.371 25124 15962 1 23 . 1 1 112 112 VAL C C 112 177.230 177.230 177.705 -0.475 25124 15963 1 23 . 1 1 112 112 VAL CA C 112 67.154 67.154 67.040 0.114 25124 15964 1 23 . 1 1 112 112 VAL CB C 112 31.538 31.538 31.566 -0.028 25124 15965 1 23 . 1 1 112 112 VAL H H 112 8.032 8.032 8.641 -0.609 25124 15966 1 23 . 1 1 113 113 ALA N N 113 120.198 120.198 119.594 0.604 25124 15967 1 23 . 1 1 113 113 ALA HA H 113 4.159 4.159 4.167 -0.008 25124 15968 1 23 . 1 1 113 113 ALA C C 113 180.589 180.589 178.905 1.684 25124 15969 1 23 . 1 1 113 113 ALA CA C 113 54.902 54.902 54.067 0.835 25124 15970 1 23 . 1 1 113 113 ALA CB C 113 17.980 17.980 18.930 -0.950 25124 15971 1 23 . 1 1 113 113 ALA H H 113 7.723 7.723 7.929 -0.206 25124 15972 1 23 . 1 1 114 114 LEU N N 114 120.742 120.742 120.024 0.718 25124 15973 1 23 . 1 1 114 114 LEU HA H 114 4.102 4.102 4.216 -0.114 25124 15974 1 23 . 1 1 114 114 LEU C C 114 178.605 178.605 178.219 0.386 25124 15975 1 23 . 1 1 114 114 LEU CA C 114 58.181 58.181 57.210 0.971 25124 15976 1 23 . 1 1 114 114 LEU CB C 114 42.032 42.032 42.153 -0.120 25124 15977 1 23 . 1 1 114 114 LEU H H 114 7.928 7.928 7.380 0.548 25124 15978 1 23 . 1 1 115 115 VAL N N 115 119.478 119.478 118.341 1.137 25124 15979 1 23 . 1 1 115 115 VAL HA H 115 3.250 3.250 3.556 -0.306 25124 15980 1 23 . 1 1 115 115 VAL C C 115 177.548 177.548 178.210 -0.662 25124 15981 1 23 . 1 1 115 115 VAL CA C 115 67.168 67.168 66.481 0.687 25124 15982 1 23 . 1 1 115 115 VAL CB C 115 30.760 30.760 31.034 -0.274 25124 15983 1 23 . 1 1 115 115 VAL H H 115 7.846 7.846 8.341 -0.495 25124 15984 1 23 . 1 1 116 116 GLU N N 116 117.570 117.570 117.428 0.142 25124 15985 1 23 . 1 1 116 116 GLU HA H 116 3.809 3.809 4.162 -0.353 25124 15986 1 23 . 1 1 116 116 GLU C C 116 179.557 179.557 178.838 0.719 25124 15987 1 23 . 1 1 116 116 GLU CA C 116 59.974 59.974 58.285 1.689 25124 15988 1 23 . 1 1 116 116 GLU CB C 116 29.084 29.084 29.154 -0.070 25124 15989 1 23 . 1 1 116 116 GLU H H 116 8.462 8.462 7.929 0.533 25124 15990 1 23 . 1 1 117 117 ARG N N 117 120.263 120.263 119.958 0.305 25124 15991 1 23 . 1 1 117 117 ARG HA H 117 4.109 4.109 4.061 0.048 25124 15992 1 23 . 1 1 117 117 ARG C C 117 178.500 178.500 178.313 0.187 25124 15993 1 23 . 1 1 117 117 ARG CA C 117 59.411 59.411 59.487 -0.076 25124 15994 1 23 . 1 1 117 117 ARG CB C 117 30.414 30.414 30.035 0.379 25124 15995 1 23 . 1 1 117 117 ARG H H 117 8.090 8.090 7.599 0.491 25124 15996 1 23 . 1 1 118 118 ALA N N 118 122.157 122.157 119.417 2.740 25124 15997 1 23 . 1 1 118 118 ALA HA H 118 3.467 3.467 4.228 -0.761 25124 15998 1 23 . 1 1 118 118 ALA C C 118 178.632 178.632 179.076 -0.444 25124 15999 1 23 . 1 1 118 118 ALA CA C 118 54.739 54.739 54.074 0.665 25124 16000 1 23 . 1 1 118 118 ALA CB C 118 18.280 18.280 18.690 -0.410 25124 16001 1 23 . 1 1 118 118 ALA H H 118 8.005 8.005 7.252 0.753 25124 16002 1 23 . 1 1 119 119 ILE N N 119 115.429 115.429 119.168 -3.739 25124 16003 1 23 . 1 1 119 119 ILE HA H 119 3.706 3.706 3.786 -0.080 25124 16004 1 23 . 1 1 119 119 ILE C C 119 177.442 177.442 178.766 -1.324 25124 16005 1 23 . 1 1 119 119 ILE CA C 119 63.910 63.910 65.029 -1.119 25124 16006 1 23 . 1 1 119 119 ILE CB C 119 37.939 37.939 37.687 0.252 25124 16007 1 23 . 1 1 119 119 ILE H H 119 7.788 7.788 7.382 0.406 25124 16008 1 23 . 1 1 120 120 SER N N 120 114.902 114.902 115.228 -0.326 25124 16009 1 23 . 1 1 120 120 SER HA H 120 4.285 4.285 4.166 0.119 25124 16010 1 23 . 1 1 120 120 SER C C 120 175.142 175.142 176.633 -1.491 25124 16011 1 23 . 1 1 120 120 SER CA C 120 59.871 59.871 61.599 -1.728 25124 16012 1 23 . 1 1 120 120 SER CB C 120 63.522 63.522 62.666 0.856 25124 16013 1 23 . 1 1 120 120 SER H H 120 7.881 7.881 8.678 -0.797 25124 16014 1 23 . 1 1 121 121 HIS N N 121 119.927 119.927 120.575 -0.648 25124 16015 1 23 . 1 1 121 121 HIS HA H 121 4.439 4.439 4.209 0.230 25124 16016 1 23 . 1 1 121 121 HIS C C 121 174.957 174.957 175.718 -0.761 25124 16017 1 23 . 1 1 121 121 HIS CA C 121 57.362 57.362 58.429 -1.067 25124 16018 1 23 . 1 1 121 121 HIS CB C 121 29.496 29.496 29.772 -0.276 25124 16019 1 23 . 1 1 121 121 HIS H H 121 7.960 7.960 7.768 0.192 25124 16020 1 23 . 1 1 122 122 TYR N N 122 118.745 118.745 117.367 1.378 25124 16021 1 23 . 1 1 122 122 TYR HA H 122 4.455 4.455 4.774 -0.319 25124 16022 1 23 . 1 1 122 122 TYR C C 122 175.353 175.353 174.916 0.437 25124 16023 1 23 . 1 1 122 122 TYR CA C 122 58.528 58.528 56.743 1.785 25124 16024 1 23 . 1 1 122 122 TYR CB C 122 38.726 38.726 38.008 0.718 25124 16025 1 23 . 1 1 122 122 TYR H H 122 7.776 7.776 7.897 -0.121 25124 16026 1 23 . 1 1 123 123 GLN N N 123 121.424 121.424 121.787 -0.363 25124 16027 1 23 . 1 1 123 123 GLN HA H 123 4.294 4.294 4.200 0.094 25124 16028 1 23 . 1 1 123 123 GLN C C 123 174.560 174.560 175.375 -0.815 25124 16029 1 23 . 1 1 123 123 GLN CA C 123 55.658 55.658 57.062 -1.405 25124 16030 1 23 . 1 1 123 123 GLN CB C 123 29.877 29.877 29.516 0.361 25124 16031 1 23 . 1 1 123 123 GLN H H 123 7.904 7.904 8.101 -0.197 25124 16032 1 24 . 1 1 2 2 GLN HA H 2 4.453 4.453 4.636 -0.183 25124 16033 1 24 . 1 1 2 2 GLN C C 2 174.930 174.930 174.212 0.718 25124 16034 1 24 . 1 1 2 2 GLN CA C 2 55.627 55.627 55.812 -0.185 25124 16035 1 24 . 1 1 2 2 GLN CB C 2 29.312 29.312 29.335 -0.023 25124 16036 1 24 . 1 1 3 3 ARG N N 3 121.349 121.349 123.010 -1.661 25124 16037 1 24 . 1 1 3 3 ARG HA H 3 4.390 4.390 4.558 -0.168 25124 16038 1 24 . 1 1 3 3 ARG C C 3 175.723 175.723 174.025 1.698 25124 16039 1 24 . 1 1 3 3 ARG CA C 3 56.041 56.041 56.228 -0.187 25124 16040 1 24 . 1 1 3 3 ARG CB C 3 31.395 31.395 31.667 -0.272 25124 16041 1 24 . 1 1 3 3 ARG H H 3 8.451 8.451 8.424 0.027 25124 16042 1 24 . 1 1 4 4 GLY N N 4 107.889 107.889 108.414 -0.525 25124 16043 1 24 . 1 1 4 4 GLY C C 4 171.122 171.122 172.983 -1.861 25124 16044 1 24 . 1 1 4 4 GLY CA C 4 45.333 45.333 44.407 0.926 25124 16045 1 24 . 1 1 4 4 GLY H H 4 8.037 8.037 8.349 -0.312 25124 16046 1 24 . 1 1 5 5 ILE N N 5 122.674 122.674 120.832 1.842 25124 16047 1 24 . 1 1 5 5 ILE HA H 5 4.731 4.731 4.012 0.719 25124 16048 1 24 . 1 1 5 5 ILE C C 5 175.459 175.459 175.091 0.368 25124 16049 1 24 . 1 1 5 5 ILE CA C 5 60.614 60.614 62.362 -1.748 25124 16050 1 24 . 1 1 5 5 ILE CB C 5 39.535 39.535 38.323 1.212 25124 16051 1 24 . 1 1 5 5 ILE H H 5 9.605 9.605 8.369 1.236 25124 16052 1 24 . 1 1 6 6 VAL N N 6 127.532 127.532 124.998 2.534 25124 16053 1 24 . 1 1 6 6 VAL HA H 6 4.892 4.892 4.379 0.513 25124 16054 1 24 . 1 1 6 6 VAL C C 6 174.110 174.110 174.473 -0.363 25124 16055 1 24 . 1 1 6 6 VAL CA C 6 59.255 59.255 61.496 -2.241 25124 16056 1 24 . 1 1 6 6 VAL CB C 6 34.530 34.530 32.783 1.747 25124 16057 1 24 . 1 1 6 6 VAL H H 6 9.135 9.135 8.063 1.072 25124 16058 1 24 . 1 1 7 7 TRP N N 7 127.409 127.409 128.252 -0.843 25124 16059 1 24 . 1 1 7 7 TRP HA H 7 6.447 6.447 4.976 1.471 25124 16060 1 24 . 1 1 7 7 TRP C C 7 175.089 175.089 174.707 0.382 25124 16061 1 24 . 1 1 7 7 TRP CA C 7 52.797 52.797 54.740 -1.943 25124 16062 1 24 . 1 1 7 7 TRP CB C 7 33.255 33.255 30.498 2.757 25124 16063 1 24 . 1 1 7 7 TRP H H 7 8.544 8.544 8.181 0.363 25124 16064 1 24 . 1 1 8 8 VAL N N 8 122.270 122.270 125.194 -2.924 25124 16065 1 24 . 1 1 8 8 VAL HA H 8 5.135 5.135 4.447 0.688 25124 16066 1 24 . 1 1 8 8 VAL C C 8 173.820 173.820 174.292 -0.472 25124 16067 1 24 . 1 1 8 8 VAL CA C 8 60.457 60.457 60.956 -0.499 25124 16068 1 24 . 1 1 8 8 VAL CB C 8 35.893 35.893 33.413 2.479 25124 16069 1 24 . 1 1 8 8 VAL H H 8 8.643 8.643 8.354 0.289 25124 16070 1 24 . 1 1 9 9 VAL N N 9 126.806 126.806 128.860 -2.054 25124 16071 1 24 . 1 1 9 9 VAL HA H 9 5.192 5.192 4.479 0.713 25124 16072 1 24 . 1 1 9 9 VAL C C 9 172.550 172.550 173.811 -1.261 25124 16073 1 24 . 1 1 9 9 VAL CA C 9 58.384 58.384 60.241 -1.857 25124 16074 1 24 . 1 1 9 9 VAL CB C 9 34.135 34.135 32.394 1.741 25124 16075 1 24 . 1 1 9 9 VAL H H 9 9.113 9.113 7.927 1.186 25124 16076 1 24 . 1 1 10 10 ASP N N 10 125.011 125.011 126.986 -1.975 25124 16077 1 24 . 1 1 10 10 ASP HA H 10 4.554 4.554 4.857 -0.303 25124 16078 1 24 . 1 1 10 10 ASP C C 10 174.877 174.877 174.106 0.771 25124 16079 1 24 . 1 1 10 10 ASP CA C 10 55.066 55.066 53.422 1.644 25124 16080 1 24 . 1 1 10 10 ASP CB C 10 44.131 44.131 44.573 -0.442 25124 16081 1 24 . 1 1 10 10 ASP H H 10 7.881 7.881 8.257 -0.376 25124 16082 1 24 . 1 1 11 11 ASP N N 11 124.048 124.048 122.497 1.551 25124 16083 1 24 . 1 1 11 11 ASP HA H 11 4.613 4.613 4.814 -0.201 25124 16084 1 24 . 1 1 11 11 ASP C C 11 175.089 175.089 174.575 0.514 25124 16085 1 24 . 1 1 11 11 ASP CA C 11 55.346 55.346 53.969 1.377 25124 16086 1 24 . 1 1 11 11 ASP CB C 11 39.583 39.583 41.069 -1.486 25124 16087 1 24 . 1 1 11 11 ASP H H 11 9.166 9.166 8.546 0.620 25124 16088 1 24 . 1 1 12 12 ASP N N 12 125.165 125.165 120.730 4.435 25124 16089 1 24 . 1 1 12 12 ASP HA H 12 4.757 4.757 4.648 0.109 25124 16090 1 24 . 1 1 12 12 ASP C C 12 176.993 176.993 176.640 0.353 25124 16091 1 24 . 1 1 12 12 ASP CA C 12 53.112 53.112 54.073 -0.961 25124 16092 1 24 . 1 1 12 12 ASP CB C 12 41.072 41.072 42.019 -0.947 25124 16093 1 24 . 1 1 12 12 ASP H H 12 10.290 10.290 7.719 2.571 25124 16094 1 24 . 1 1 13 13 SER N N 13 123.818 123.818 119.990 3.828 25124 16095 1 24 . 1 1 13 13 SER HA H 13 3.719 3.719 4.142 -0.423 25124 16096 1 24 . 1 1 13 13 SER C C 13 176.146 176.146 175.825 0.321 25124 16097 1 24 . 1 1 13 13 SER CA C 13 61.341 61.341 61.376 -0.035 25124 16098 1 24 . 1 1 13 13 SER CB C 13 62.638 62.638 63.153 -0.515 25124 16099 1 24 . 1 1 13 13 SER H H 13 8.993 8.993 8.569 0.424 25124 16100 1 24 . 1 1 14 14 SER N N 14 118.714 118.714 117.274 1.440 25124 16101 1 24 . 1 1 14 14 SER HA H 14 4.322 4.322 4.361 -0.039 25124 16102 1 24 . 1 1 14 14 SER C C 14 176.411 176.411 176.841 -0.430 25124 16103 1 24 . 1 1 14 14 SER CA C 14 61.717 61.717 61.037 0.680 25124 16104 1 24 . 1 1 14 14 SER CB C 14 62.554 62.554 62.810 -0.256 25124 16105 1 24 . 1 1 14 14 SER H H 14 8.499 8.499 8.417 0.082 25124 16106 1 24 . 1 1 15 15 ILE N N 15 122.822 122.822 119.815 3.007 25124 16107 1 24 . 1 1 15 15 ILE HA H 15 3.972 3.972 4.148 -0.176 25124 16108 1 24 . 1 1 15 15 ILE C C 15 177.786 177.786 177.354 0.432 25124 16109 1 24 . 1 1 15 15 ILE CA C 15 60.784 60.784 60.852 -0.068 25124 16110 1 24 . 1 1 15 15 ILE CB C 15 36.016 36.016 37.054 -1.038 25124 16111 1 24 . 1 1 15 15 ILE H H 15 7.011 7.011 8.283 -1.272 25124 16112 1 24 . 1 1 16 16 ARG N N 16 116.580 116.580 120.517 -3.937 25124 16113 1 24 . 1 1 16 16 ARG HA H 16 3.711 3.711 4.213 -0.502 25124 16114 1 24 . 1 1 16 16 ARG C C 16 177.336 177.336 178.465 -1.129 25124 16115 1 24 . 1 1 16 16 ARG CA C 16 61.632 61.632 58.398 3.234 25124 16116 1 24 . 1 1 16 16 ARG CB C 16 30.520 30.520 29.819 0.701 25124 16117 1 24 . 1 1 16 16 ARG H H 16 7.370 7.370 7.404 -0.034 25124 16118 1 24 . 1 1 17 17 TRP N N 17 116.893 116.893 122.619 -5.726 25124 16119 1 24 . 1 1 17 17 TRP HA H 17 4.481 4.481 4.449 0.032 25124 16120 1 24 . 1 1 17 17 TRP C C 17 178.394 178.394 178.054 0.340 25124 16121 1 24 . 1 1 17 17 TRP CA C 17 60.482 60.482 61.424 -0.942 25124 16122 1 24 . 1 1 17 17 TRP CB C 17 29.372 29.372 29.393 -0.021 25124 16123 1 24 . 1 1 17 17 TRP H H 17 8.020 8.020 8.513 -0.493 25124 16124 1 24 . 1 1 18 18 VAL N N 18 116.799 116.799 115.581 1.218 25124 16125 1 24 . 1 1 18 18 VAL HA H 18 3.662 3.662 2.673 0.989 25124 16126 1 24 . 1 1 18 18 VAL C C 18 179.161 179.161 177.474 1.687 25124 16127 1 24 . 1 1 18 18 VAL CA C 18 65.858 65.858 65.189 0.669 25124 16128 1 24 . 1 1 18 18 VAL CB C 18 31.792 31.792 30.984 0.808 25124 16129 1 24 . 1 1 18 18 VAL H H 18 8.085 8.085 7.459 0.626 25124 16130 1 24 . 1 1 19 19 LEU N N 19 119.595 119.595 119.827 -0.232 25124 16131 1 24 . 1 1 19 19 LEU HA H 19 4.083 4.083 3.999 0.084 25124 16132 1 24 . 1 1 19 19 LEU C C 19 177.759 177.759 178.677 -0.918 25124 16133 1 24 . 1 1 19 19 LEU CA C 19 57.971 57.971 57.246 0.725 25124 16134 1 24 . 1 1 19 19 LEU CB C 19 41.863 41.863 42.001 -0.138 25124 16135 1 24 . 1 1 19 19 LEU H H 19 8.035 8.035 7.316 0.719 25124 16136 1 24 . 1 1 20 20 GLU N N 20 120.318 120.318 120.889 -0.571 25124 16137 1 24 . 1 1 20 20 GLU HA H 20 4.007 4.007 3.895 0.112 25124 16138 1 24 . 1 1 20 20 GLU C C 20 178.500 178.500 178.860 -0.360 25124 16139 1 24 . 1 1 20 20 GLU CA C 20 60.567 60.567 59.758 0.809 25124 16140 1 24 . 1 1 20 20 GLU CB C 20 29.073 29.073 29.649 -0.576 25124 16141 1 24 . 1 1 20 20 GLU H H 20 8.417 8.417 8.561 -0.144 25124 16142 1 24 . 1 1 21 21 ARG N N 21 115.981 115.981 117.431 -1.450 25124 16143 1 24 . 1 1 21 21 ARG HA H 21 3.898 3.898 3.957 -0.059 25124 16144 1 24 . 1 1 21 21 ARG C C 21 179.769 179.769 177.818 1.951 25124 16145 1 24 . 1 1 21 21 ARG CA C 21 58.491 58.491 58.321 0.170 25124 16146 1 24 . 1 1 21 21 ARG CB C 21 29.966 29.966 28.944 1.022 25124 16147 1 24 . 1 1 21 21 ARG H H 21 7.579 7.579 8.244 -0.665 25124 16148 1 24 . 1 1 22 22 ALA N N 22 122.267 122.267 121.477 0.790 25124 16149 1 24 . 1 1 22 22 ALA HA H 22 4.110 4.110 4.177 -0.067 25124 16150 1 24 . 1 1 22 22 ALA C C 22 180.456 180.456 179.640 0.816 25124 16151 1 24 . 1 1 22 22 ALA CA C 22 54.643 54.643 54.180 0.463 25124 16152 1 24 . 1 1 22 22 ALA CB C 22 19.225 19.225 18.753 0.472 25124 16153 1 24 . 1 1 22 22 ALA H H 22 7.933 7.933 7.503 0.430 25124 16154 1 24 . 1 1 23 23 LEU N N 23 118.139 118.139 119.708 -1.569 25124 16155 1 24 . 1 1 23 23 LEU HA H 23 4.005 4.005 3.899 0.106 25124 16156 1 24 . 1 1 23 23 LEU C C 23 178.843 178.843 179.047 -0.204 25124 16157 1 24 . 1 1 23 23 LEU CA C 23 57.765 57.765 58.016 -0.251 25124 16158 1 24 . 1 1 23 23 LEU CB C 23 39.919 39.919 41.646 -1.727 25124 16159 1 24 . 1 1 23 23 LEU H H 23 8.855 8.855 8.631 0.224 25124 16160 1 24 . 1 1 24 24 ALA N N 24 122.164 122.164 120.540 1.624 25124 16161 1 24 . 1 1 24 24 ALA HA H 24 4.665 4.665 4.026 0.639 25124 16162 1 24 . 1 1 24 24 ALA C C 24 183.206 183.206 179.749 3.457 25124 16163 1 24 . 1 1 24 24 ALA CA C 24 54.812 54.812 54.768 0.044 25124 16164 1 24 . 1 1 24 24 ALA CB C 24 17.820 17.820 18.284 -0.464 25124 16165 1 24 . 1 1 24 24 ALA H H 24 8.238 8.238 8.281 -0.043 25124 16166 1 24 . 1 1 25 25 GLY N N 25 106.903 106.903 105.500 1.403 25124 16167 1 24 . 1 1 25 25 GLY C C 25 174.375 174.375 175.322 -0.947 25124 16168 1 24 . 1 1 25 25 GLY CA C 25 46.550 46.550 45.325 1.225 25124 16169 1 24 . 1 1 25 25 GLY H H 25 7.907 7.907 7.733 0.174 25124 16170 1 24 . 1 1 26 26 ALA N N 26 121.832 121.832 122.312 -0.480 25124 16171 1 24 . 1 1 26 26 ALA HA H 26 4.505 4.505 4.232 0.273 25124 16172 1 24 . 1 1 26 26 ALA CA C 26 51.585 51.585 52.533 -0.948 25124 16173 1 24 . 1 1 26 26 ALA CB C 26 18.799 18.799 19.385 -0.586 25124 16174 1 24 . 1 1 26 26 ALA H H 26 7.316 7.316 7.818 -0.502 25124 16175 1 24 . 1 1 27 27 GLY N N 27 106.146 106.146 105.684 0.462 25124 16176 1 24 . 1 1 27 27 GLY C C 27 174.057 174.057 174.545 -0.488 25124 16177 1 24 . 1 1 27 27 GLY CA C 27 45.333 45.333 44.900 0.433 25124 16178 1 24 . 1 1 27 27 GLY H H 27 7.868 7.868 8.159 -0.291 25124 16179 1 24 . 1 1 28 28 LEU N N 28 120.273 120.273 121.382 -1.109 25124 16180 1 24 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.302 0.273 25124 16181 1 24 . 1 1 28 28 LEU C C 28 175.988 175.988 177.336 -1.348 25124 16182 1 24 . 1 1 28 28 LEU CA C 28 53.881 53.881 54.453 -0.572 25124 16183 1 24 . 1 1 28 28 LEU CB C 28 42.540 42.540 42.097 0.443 25124 16184 1 24 . 1 1 28 28 LEU H H 28 7.659 7.659 7.575 0.084 25124 16185 1 24 . 1 1 29 29 THR N N 29 118.173 118.173 118.302 -0.129 25124 16186 1 24 . 1 1 29 29 THR HA H 29 4.346 4.346 4.191 0.155 25124 16187 1 24 . 1 1 29 29 THR C C 29 173.344 173.344 173.706 -0.362 25124 16188 1 24 . 1 1 29 29 THR CA C 29 62.598 62.598 63.914 -1.316 25124 16189 1 24 . 1 1 29 29 THR CB C 29 69.423 69.423 69.378 0.045 25124 16190 1 24 . 1 1 29 29 THR H H 29 8.562 8.562 8.355 0.207 25124 16191 1 24 . 1 1 30 30 CYS N N 30 128.450 128.450 126.931 1.519 25124 16192 1 24 . 1 1 30 30 CYS HA H 30 6.012 6.012 4.654 1.358 25124 16193 1 24 . 1 1 30 30 CYS C C 30 173.978 173.978 173.733 0.245 25124 16194 1 24 . 1 1 30 30 CYS CA C 30 56.424 56.424 57.807 -1.383 25124 16195 1 24 . 1 1 30 30 CYS CB C 30 29.615 29.615 28.795 0.820 25124 16196 1 24 . 1 1 30 30 CYS H H 30 9.035 9.035 8.658 0.377 25124 16197 1 24 . 1 1 31 31 THR N N 31 126.377 126.377 124.420 1.957 25124 16198 1 24 . 1 1 31 31 THR HA H 31 4.442 4.442 4.572 -0.130 25124 16199 1 24 . 1 1 31 31 THR C C 31 172.683 172.683 172.845 -0.162 25124 16200 1 24 . 1 1 31 31 THR CA C 31 61.956 61.956 61.672 0.284 25124 16201 1 24 . 1 1 31 31 THR CB C 31 70.624 70.624 71.367 -0.743 25124 16202 1 24 . 1 1 31 31 THR H H 31 8.510 8.510 8.482 0.028 25124 16203 1 24 . 1 1 32 32 THR N N 32 115.988 115.988 114.212 1.776 25124 16204 1 24 . 1 1 32 32 THR HA H 32 5.454 5.454 4.957 0.497 25124 16205 1 24 . 1 1 32 32 THR C C 32 172.259 172.259 172.727 -0.468 25124 16206 1 24 . 1 1 32 32 THR CA C 32 59.101 59.101 61.125 -2.024 25124 16207 1 24 . 1 1 32 32 THR CB C 32 71.173 71.173 71.016 0.157 25124 16208 1 24 . 1 1 32 32 THR H H 32 8.301 8.301 7.833 0.468 25124 16209 1 24 . 1 1 33 33 PHE N N 33 117.690 117.690 121.966 -4.276 25124 16210 1 24 . 1 1 33 33 PHE HA H 33 4.723 4.723 4.766 -0.043 25124 16211 1 24 . 1 1 33 33 PHE C C 33 174.507 174.507 176.390 -1.883 25124 16212 1 24 . 1 1 33 33 PHE CA C 33 56.504 56.504 57.697 -1.193 25124 16213 1 24 . 1 1 33 33 PHE CB C 33 43.589 43.589 41.061 2.528 25124 16214 1 24 . 1 1 33 33 PHE H H 33 8.834 8.834 8.840 -0.006 25124 16215 1 24 . 1 1 34 34 GLU N N 34 118.296 118.296 117.826 0.470 25124 16216 1 24 . 1 1 34 34 GLU HA H 34 4.451 4.451 4.160 0.291 25124 16217 1 24 . 1 1 34 34 GLU C C 34 174.957 174.957 175.089 -0.132 25124 16218 1 24 . 1 1 34 34 GLU CA C 34 56.661 56.661 58.565 -1.904 25124 16219 1 24 . 1 1 34 34 GLU CB C 34 31.792 31.792 28.945 2.847 25124 16220 1 24 . 1 1 34 34 GLU H H 34 9.096 9.096 8.903 0.193 25124 16221 1 24 . 1 1 35 35 ASN N N 35 108.486 108.486 116.296 -7.810 25124 16222 1 24 . 1 1 35 35 ASN HA H 35 4.960 4.960 4.956 0.004 25124 16223 1 24 . 1 1 35 35 ASN C C 35 175.353 175.353 176.508 -1.155 25124 16224 1 24 . 1 1 35 35 ASN CA C 35 52.364 52.364 51.818 0.546 25124 16225 1 24 . 1 1 35 35 ASN CB C 35 40.932 40.932 40.197 0.735 25124 16226 1 24 . 1 1 35 35 ASN H H 35 7.286 7.286 8.098 -0.812 25124 16227 1 24 . 1 1 36 36 GLY N N 36 105.329 105.329 110.774 -5.445 25124 16228 1 24 . 1 1 36 36 GLY C C 36 174.586 174.586 175.770 -1.184 25124 16229 1 24 . 1 1 36 36 GLY CA C 36 47.533 47.533 47.433 0.100 25124 16230 1 24 . 1 1 36 36 GLY H H 36 9.369 9.369 9.115 0.254 25124 16231 1 24 . 1 1 37 37 ASN N N 37 120.396 120.396 118.872 1.524 25124 16232 1 24 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.377 -0.015 25124 16233 1 24 . 1 1 37 37 ASN C C 37 178.791 178.791 177.681 1.110 25124 16234 1 24 . 1 1 37 37 ASN CA C 37 56.843 56.843 56.255 0.588 25124 16235 1 24 . 1 1 37 37 ASN CB C 37 37.716 37.716 38.337 -0.621 25124 16236 1 24 . 1 1 37 37 ASN H H 37 8.440 8.440 8.514 -0.074 25124 16237 1 24 . 1 1 38 38 GLU N N 38 119.334 119.334 119.310 0.024 25124 16238 1 24 . 1 1 38 38 GLU HA H 38 4.058 4.058 4.128 -0.070 25124 16239 1 24 . 1 1 38 38 GLU C C 38 179.372 179.372 178.816 0.556 25124 16240 1 24 . 1 1 38 38 GLU CA C 38 58.790 58.790 59.047 -0.257 25124 16241 1 24 . 1 1 38 38 GLU CB C 38 30.692 30.692 30.047 0.645 25124 16242 1 24 . 1 1 38 38 GLU H H 38 8.063 8.063 7.885 0.178 25124 16243 1 24 . 1 1 39 39 VAL N N 39 119.047 119.047 119.953 -0.906 25124 16244 1 24 . 1 1 39 39 VAL HA H 39 2.599 2.599 2.236 0.363 25124 16245 1 24 . 1 1 39 39 VAL C C 39 176.807 176.807 177.883 -1.076 25124 16246 1 24 . 1 1 39 39 VAL CA C 39 65.222 65.222 65.716 -0.494 25124 16247 1 24 . 1 1 39 39 VAL CB C 39 31.078 31.078 30.748 0.330 25124 16248 1 24 . 1 1 39 39 VAL H H 39 6.844 6.844 7.155 -0.311 25124 16249 1 24 . 1 1 40 40 LEU N N 40 118.385 118.385 119.154 -0.769 25124 16250 1 24 . 1 1 40 40 LEU HA H 40 3.929 3.929 3.847 0.082 25124 16251 1 24 . 1 1 40 40 LEU C C 40 179.584 179.584 178.732 0.852 25124 16252 1 24 . 1 1 40 40 LEU CA C 40 57.943 57.943 58.251 -0.307 25124 16253 1 24 . 1 1 40 40 LEU CB C 40 40.932 40.932 40.456 0.476 25124 16254 1 24 . 1 1 40 40 LEU H H 40 7.715 7.715 7.707 0.008 25124 16255 1 24 . 1 1 41 41 ALA N N 41 120.091 120.091 121.400 -1.309 25124 16256 1 24 . 1 1 41 41 ALA HA H 41 4.158 4.158 3.980 0.178 25124 16257 1 24 . 1 1 41 41 ALA C C 41 180.562 180.562 178.716 1.846 25124 16258 1 24 . 1 1 41 41 ALA CA C 41 54.717 54.717 55.086 -0.369 25124 16259 1 24 . 1 1 41 41 ALA CB C 41 17.853 17.853 17.939 -0.086 25124 16260 1 24 . 1 1 41 41 ALA H H 41 7.671 7.671 7.755 -0.084 25124 16261 1 24 . 1 1 42 42 ALA N N 42 122.650 122.650 119.439 3.211 25124 16262 1 24 . 1 1 42 42 ALA HA H 42 4.221 4.221 4.393 -0.172 25124 16263 1 24 . 1 1 42 42 ALA C C 42 180.166 180.166 179.570 0.596 25124 16264 1 24 . 1 1 42 42 ALA CA C 42 54.974 54.974 53.848 1.126 25124 16265 1 24 . 1 1 42 42 ALA CB C 42 19.488 19.488 18.588 0.900 25124 16266 1 24 . 1 1 42 42 ALA H H 42 7.573 7.573 7.247 0.326 25124 16267 1 24 . 1 1 43 43 LEU N N 43 119.321 119.321 120.499 -1.178 25124 16268 1 24 . 1 1 43 43 LEU HA H 43 5.260 5.260 4.396 0.864 25124 16269 1 24 . 1 1 43 43 LEU C C 43 177.389 177.389 178.573 -1.184 25124 16270 1 24 . 1 1 43 43 LEU CA C 43 55.446 55.446 57.843 -2.397 25124 16271 1 24 . 1 1 43 43 LEU CB C 43 42.879 42.879 42.118 0.761 25124 16272 1 24 . 1 1 43 43 LEU H H 43 8.289 8.289 8.219 0.070 25124 16273 1 24 . 1 1 44 44 ALA N N 44 118.995 118.995 118.148 0.847 25124 16274 1 24 . 1 1 44 44 ALA HA H 44 4.232 4.232 4.158 0.074 25124 16275 1 24 . 1 1 44 44 ALA C C 44 178.738 178.738 179.020 -0.282 25124 16276 1 24 . 1 1 44 44 ALA CA C 44 54.353 54.353 54.395 -0.042 25124 16277 1 24 . 1 1 44 44 ALA CB C 44 18.674 18.674 18.812 -0.138 25124 16278 1 24 . 1 1 44 44 ALA H H 44 7.307 7.307 7.743 -0.436 25124 16279 1 24 . 1 1 45 45 SER N N 45 108.530 108.530 112.774 -4.244 25124 16280 1 24 . 1 1 45 45 SER HA H 45 4.761 4.761 4.414 0.347 25124 16281 1 24 . 1 1 45 45 SER C C 45 173.344 173.344 174.912 -1.568 25124 16282 1 24 . 1 1 45 45 SER CA C 45 58.682 58.682 59.437 -0.755 25124 16283 1 24 . 1 1 45 45 SER CB C 45 65.446 65.446 63.790 1.656 25124 16284 1 24 . 1 1 45 45 SER H H 45 7.772 7.772 7.931 -0.159 25124 16285 1 24 . 1 1 46 46 LYS N N 46 122.965 122.965 118.690 4.275 25124 16286 1 24 . 1 1 46 46 LYS HA H 46 4.608 4.608 4.501 0.107 25124 16287 1 24 . 1 1 46 46 LYS C C 46 172.815 172.815 174.280 -1.465 25124 16288 1 24 . 1 1 46 46 LYS CA C 46 55.601 55.601 55.891 -0.290 25124 16289 1 24 . 1 1 46 46 LYS CB C 46 36.399 36.399 35.948 0.451 25124 16290 1 24 . 1 1 46 46 LYS H H 46 8.096 8.096 8.402 -0.306 25124 16291 1 24 . 1 1 47 47 THR N N 47 111.524 111.524 114.985 -3.461 25124 16292 1 24 . 1 1 47 47 THR HA H 47 4.307 4.307 4.373 -0.066 25124 16293 1 24 . 1 1 47 47 THR CA C 47 57.896 57.896 58.519 -0.623 25124 16294 1 24 . 1 1 47 47 THR CB C 47 70.570 70.570 69.032 1.538 25124 16295 1 24 . 1 1 47 47 THR H H 47 7.708 7.708 8.211 -0.503 25124 16296 1 24 . 1 1 48 48 PRO HA H 48 3.944 3.944 4.014 -0.070 25124 16297 1 24 . 1 1 48 48 PRO C C 48 173.079 173.079 175.862 -2.783 25124 16298 1 24 . 1 1 48 48 PRO CA C 48 60.922 60.922 62.243 -1.321 25124 16299 1 24 . 1 1 48 48 PRO CB C 48 30.353 30.353 32.092 -1.739 25124 16300 1 24 . 1 1 49 49 ASP N N 49 115.001 115.001 117.442 -2.441 25124 16301 1 24 . 1 1 49 49 ASP HA H 49 4.460 4.460 4.691 -0.231 25124 16302 1 24 . 1 1 49 49 ASP C C 49 175.591 175.591 174.995 0.596 25124 16303 1 24 . 1 1 49 49 ASP CA C 49 56.504 56.504 54.646 1.858 25124 16304 1 24 . 1 1 49 49 ASP CB C 49 42.625 42.625 42.409 0.216 25124 16305 1 24 . 1 1 49 49 ASP H H 49 8.535 8.535 8.313 0.222 25124 16306 1 24 . 1 1 50 50 VAL N N 50 111.832 111.832 114.998 -3.166 25124 16307 1 24 . 1 1 50 50 VAL HA H 50 4.316 4.316 4.179 0.137 25124 16308 1 24 . 1 1 50 50 VAL C C 50 171.572 171.572 173.123 -1.551 25124 16309 1 24 . 1 1 50 50 VAL CA C 50 60.398 60.398 61.171 -0.773 25124 16310 1 24 . 1 1 50 50 VAL CB C 50 34.650 34.650 33.859 0.791 25124 16311 1 24 . 1 1 50 50 VAL H H 50 7.194 7.194 7.402 -0.208 25124 16312 1 24 . 1 1 51 51 LEU N N 51 127.785 127.785 126.380 1.405 25124 16313 1 24 . 1 1 51 51 LEU HA H 51 5.376 5.376 5.483 -0.107 25124 16314 1 24 . 1 1 51 51 LEU C C 51 173.264 173.264 174.510 -1.246 25124 16315 1 24 . 1 1 51 51 LEU CA C 51 53.137 53.137 53.576 -0.439 25124 16316 1 24 . 1 1 51 51 LEU CB C 51 46.680 46.680 46.369 0.311 25124 16317 1 24 . 1 1 51 51 LEU H H 51 8.049 8.049 8.406 -0.357 25124 16318 1 24 . 1 1 52 52 LEU N N 52 128.943 128.943 124.804 4.139 25124 16319 1 24 . 1 1 52 52 LEU HA H 52 5.312 5.312 5.254 0.058 25124 16320 1 24 . 1 1 52 52 LEU C C 52 174.692 174.692 176.673 -1.981 25124 16321 1 24 . 1 1 52 52 LEU CA C 52 54.313 54.313 53.702 0.611 25124 16322 1 24 . 1 1 52 52 LEU CB C 52 43.961 43.961 41.941 2.020 25124 16323 1 24 . 1 1 52 52 LEU H H 52 9.278 9.278 8.061 1.217 25124 16324 1 24 . 1 1 53 53 SER N N 53 116.717 116.717 119.192 -2.475 25124 16325 1 24 . 1 1 53 53 SER HA H 53 5.395 5.395 4.386 1.009 25124 16326 1 24 . 1 1 53 53 SER C C 53 173.608 173.608 172.863 0.745 25124 16327 1 24 . 1 1 53 53 SER CA C 53 56.226 56.226 59.921 -3.695 25124 16328 1 24 . 1 1 53 53 SER CB C 53 65.753 65.753 64.445 1.308 25124 16329 1 24 . 1 1 53 53 SER H H 53 9.256 9.256 7.792 1.464 25124 16330 1 24 . 1 1 54 54 ASP N N 54 127.909 127.909 120.478 7.431 25124 16331 1 24 . 1 1 54 54 ASP HA H 54 5.622 5.622 5.373 0.249 25124 16332 1 24 . 1 1 54 54 ASP C C 54 175.723 175.723 175.449 0.274 25124 16333 1 24 . 1 1 54 54 ASP CA C 54 53.268 53.268 52.298 0.970 25124 16334 1 24 . 1 1 54 54 ASP CB C 54 44.386 44.386 43.164 1.222 25124 16335 1 24 . 1 1 54 54 ASP H H 54 8.219 8.219 8.524 -0.305 25124 16336 1 24 . 1 1 55 55 ILE N N 55 117.015 117.015 119.038 -2.023 25124 16337 1 24 . 1 1 55 55 ILE HA H 55 4.116 4.116 4.507 -0.391 25124 16338 1 24 . 1 1 55 55 ILE C C 55 176.913 176.913 174.859 2.054 25124 16339 1 24 . 1 1 55 55 ILE CA C 55 65.290 65.290 59.739 5.551 25124 16340 1 24 . 1 1 55 55 ILE CB C 55 38.487 38.487 37.142 1.345 25124 16341 1 24 . 1 1 55 55 ILE H H 55 7.812 7.812 8.121 -0.309 25124 16342 1 24 . 1 1 56 56 ARG N N 56 117.365 117.365 121.926 -4.561 25124 16343 1 24 . 1 1 56 56 ARG HA H 56 4.379 4.379 4.408 -0.029 25124 16344 1 24 . 1 1 56 56 ARG C C 56 172.788 172.788 173.756 -0.968 25124 16345 1 24 . 1 1 56 56 ARG CA C 56 57.034 57.034 56.038 0.996 25124 16346 1 24 . 1 1 56 56 ARG CB C 56 27.600 27.600 29.823 -2.223 25124 16347 1 24 . 1 1 56 56 ARG H H 56 8.991 8.991 7.951 1.040 25124 16348 1 24 . 1 1 57 57 MET N N 57 129.539 129.539 117.809 11.730 25124 16349 1 24 . 1 1 57 57 MET HA H 57 4.767 4.767 5.041 -0.274 25124 16350 1 24 . 1 1 57 57 MET CA C 57 53.641 53.641 52.887 0.754 25124 16351 1 24 . 1 1 57 57 MET CB C 57 36.484 36.484 33.629 2.855 25124 16352 1 24 . 1 1 57 57 MET H H 57 7.501 7.501 7.723 -0.222 25124 16353 1 24 . 1 1 58 58 PRO HA H 58 4.379 4.379 4.397 -0.018 25124 16354 1 24 . 1 1 58 58 PRO C C 58 177.495 177.495 177.969 -0.474 25124 16355 1 24 . 1 1 58 58 PRO CA C 58 63.104 63.104 63.858 -0.754 25124 16356 1 24 . 1 1 58 58 PRO CB C 58 31.922 31.922 32.160 -0.238 25124 16357 1 24 . 1 1 59 59 GLY N N 59 112.312 112.312 107.956 4.356 25124 16358 1 24 . 1 1 59 59 GLY C C 59 173.793 173.793 174.695 -0.902 25124 16359 1 24 . 1 1 59 59 GLY CA C 59 46.430 46.430 46.725 -0.295 25124 16360 1 24 . 1 1 59 59 GLY H H 59 8.656 8.656 8.419 0.237 25124 16361 1 24 . 1 1 60 60 MET N N 60 124.343 124.343 117.956 6.387 25124 16362 1 24 . 1 1 60 60 MET HA H 60 4.344 4.344 4.584 -0.240 25124 16363 1 24 . 1 1 60 60 MET C C 60 174.190 174.190 174.807 -0.617 25124 16364 1 24 . 1 1 60 60 MET CA C 60 55.871 55.871 55.651 0.220 25124 16365 1 24 . 1 1 60 60 MET CB C 60 34.955 34.955 34.209 0.746 25124 16366 1 24 . 1 1 60 60 MET H H 60 7.778 7.778 8.252 -0.474 25124 16367 1 24 . 1 1 61 61 ASP N N 61 124.993 124.993 115.817 9.176 25124 16368 1 24 . 1 1 61 61 ASP HA H 61 4.870 4.870 4.718 0.152 25124 16369 1 24 . 1 1 61 61 ASP C C 61 176.966 176.966 174.991 1.975 25124 16370 1 24 . 1 1 61 61 ASP CA C 61 53.490 53.490 53.529 -0.039 25124 16371 1 24 . 1 1 61 61 ASP CB C 61 42.347 42.347 41.660 0.687 25124 16372 1 24 . 1 1 61 61 ASP H H 61 8.378 8.378 7.648 0.730 25124 16373 1 24 . 1 1 62 62 GLY N N 62 105.163 105.163 105.788 -0.625 25124 16374 1 24 . 1 1 62 62 GLY C C 62 175.935 175.935 175.667 0.268 25124 16375 1 24 . 1 1 62 62 GLY CA C 62 46.755 46.755 45.110 1.645 25124 16376 1 24 . 1 1 62 62 GLY H H 62 10.153 10.153 8.609 1.544 25124 16377 1 24 . 1 1 63 63 LEU N N 63 120.509 120.509 121.424 -0.915 25124 16378 1 24 . 1 1 63 63 LEU HA H 63 4.293 4.293 3.987 0.306 25124 16379 1 24 . 1 1 63 63 LEU C C 63 179.293 179.293 178.217 1.076 25124 16380 1 24 . 1 1 63 63 LEU CA C 63 57.148 57.148 57.666 -0.519 25124 16381 1 24 . 1 1 63 63 LEU CB C 63 40.053 40.053 41.501 -1.448 25124 16382 1 24 . 1 1 63 63 LEU H H 63 8.119 8.119 8.130 -0.011 25124 16383 1 24 . 1 1 64 64 ALA N N 64 126.234 126.234 120.393 5.841 25124 16384 1 24 . 1 1 64 64 ALA HA H 64 4.112 4.112 4.045 0.067 25124 16385 1 24 . 1 1 64 64 ALA C C 64 181.223 181.223 178.557 2.666 25124 16386 1 24 . 1 1 64 64 ALA CA C 64 54.802 54.802 54.497 0.305 25124 16387 1 24 . 1 1 64 64 ALA CB C 64 18.133 18.133 18.069 0.064 25124 16388 1 24 . 1 1 64 64 ALA H H 64 8.303 8.303 8.216 0.087 25124 16389 1 24 . 1 1 65 65 LEU N N 65 120.067 120.067 118.226 1.841 25124 16390 1 24 . 1 1 65 65 LEU HA H 65 4.044 4.044 4.203 -0.159 25124 16391 1 24 . 1 1 65 65 LEU C C 65 177.548 177.548 178.327 -0.779 25124 16392 1 24 . 1 1 65 65 LEU CA C 65 58.197 58.197 57.145 1.052 25124 16393 1 24 . 1 1 65 65 LEU CB C 65 41.727 41.727 42.501 -0.774 25124 16394 1 24 . 1 1 65 65 LEU H H 65 8.398 8.398 7.154 1.244 25124 16395 1 24 . 1 1 66 66 LEU N N 66 120.890 120.890 119.885 1.005 25124 16396 1 24 . 1 1 66 66 LEU HA H 66 3.848 3.848 4.030 -0.182 25124 16397 1 24 . 1 1 66 66 LEU C C 66 177.230 177.230 178.729 -1.499 25124 16398 1 24 . 1 1 66 66 LEU CA C 66 58.736 58.736 57.696 1.040 25124 16399 1 24 . 1 1 66 66 LEU CB C 66 41.803 41.803 41.800 0.003 25124 16400 1 24 . 1 1 66 66 LEU H H 66 8.203 8.203 8.026 0.177 25124 16401 1 24 . 1 1 67 67 LYS N N 67 116.919 116.919 117.597 -0.678 25124 16402 1 24 . 1 1 67 67 LYS HA H 67 4.004 4.004 4.030 -0.026 25124 16403 1 24 . 1 1 67 67 LYS C C 67 179.452 179.452 179.236 0.216 25124 16404 1 24 . 1 1 67 67 LYS CA C 67 59.733 59.733 58.456 1.277 25124 16405 1 24 . 1 1 67 67 LYS CB C 67 32.415 32.415 31.748 0.667 25124 16406 1 24 . 1 1 67 67 LYS H H 67 7.667 7.667 8.288 -0.621 25124 16407 1 24 . 1 1 68 68 GLN N N 68 116.851 116.851 119.198 -2.347 25124 16408 1 24 . 1 1 68 68 GLN HA H 68 4.046 4.046 4.130 -0.084 25124 16409 1 24 . 1 1 68 68 GLN C C 68 179.319 179.319 178.182 1.137 25124 16410 1 24 . 1 1 68 68 GLN CA C 68 58.820 58.820 58.849 -0.029 25124 16411 1 24 . 1 1 68 68 GLN CB C 68 28.660 28.660 29.351 -0.691 25124 16412 1 24 . 1 1 68 68 GLN H H 68 7.677 7.677 7.500 0.177 25124 16413 1 24 . 1 1 69 69 ILE N N 69 120.670 120.670 116.301 4.369 25124 16414 1 24 . 1 1 69 69 ILE HA H 69 3.564 3.564 3.786 -0.222 25124 16415 1 24 . 1 1 69 69 ILE C C 69 177.786 177.786 178.362 -0.576 25124 16416 1 24 . 1 1 69 69 ILE CA C 69 65.381 65.381 64.246 1.135 25124 16417 1 24 . 1 1 69 69 ILE CB C 69 37.186 37.186 37.333 -0.147 25124 16418 1 24 . 1 1 69 69 ILE H H 69 8.918 8.918 7.505 1.413 25124 16419 1 24 . 1 1 70 70 LYS N N 70 118.002 118.002 119.329 -1.327 25124 16420 1 24 . 1 1 70 70 LYS HA H 70 3.936 3.936 4.062 -0.126 25124 16421 1 24 . 1 1 70 70 LYS C C 70 177.944 177.944 178.136 -0.192 25124 16422 1 24 . 1 1 70 70 LYS CA C 70 57.351 57.351 58.532 -1.181 25124 16423 1 24 . 1 1 70 70 LYS CB C 70 31.440 31.440 31.928 -0.488 25124 16424 1 24 . 1 1 70 70 LYS H H 70 8.592 8.592 7.639 0.953 25124 16425 1 24 . 1 1 71 71 GLN N N 71 114.891 114.891 115.330 -0.439 25124 16426 1 24 . 1 1 71 71 GLN HA H 71 4.063 4.063 4.215 -0.152 25124 16427 1 24 . 1 1 71 71 GLN C C 71 177.019 177.019 177.673 -0.654 25124 16428 1 24 . 1 1 71 71 GLN CA C 71 58.007 58.007 56.952 1.055 25124 16429 1 24 . 1 1 71 71 GLN CB C 71 29.168 29.168 29.496 -0.328 25124 16430 1 24 . 1 1 71 71 GLN H H 71 7.266 7.266 7.662 -0.396 25124 16431 1 24 . 1 1 72 72 ARG N N 72 116.364 116.364 118.382 -2.018 25124 16432 1 24 . 1 1 72 72 ARG HA H 72 4.130 4.130 4.078 0.052 25124 16433 1 24 . 1 1 72 72 ARG C C 72 175.803 175.803 176.278 -0.475 25124 16434 1 24 . 1 1 72 72 ARG CA C 72 57.174 57.174 57.283 -0.109 25124 16435 1 24 . 1 1 72 72 ARG CB C 72 32.638 32.638 31.335 1.302 25124 16436 1 24 . 1 1 72 72 ARG H H 72 7.254 7.254 8.013 -0.759 25124 16437 1 24 . 1 1 73 73 HIS N N 73 116.981 116.981 113.201 3.780 25124 16438 1 24 . 1 1 73 73 HIS HA H 73 4.994 4.994 5.035 -0.041 25124 16439 1 24 . 1 1 73 73 HIS CA C 73 53.252 53.252 53.393 -0.141 25124 16440 1 24 . 1 1 73 73 HIS CB C 73 31.026 31.026 30.036 0.990 25124 16441 1 24 . 1 1 73 73 HIS H H 73 8.828 8.828 7.511 1.317 25124 16442 1 24 . 1 1 74 74 PRO HA H 74 4.435 4.435 4.393 0.042 25124 16443 1 24 . 1 1 74 74 PRO C C 74 178.156 178.156 177.129 1.027 25124 16444 1 24 . 1 1 74 74 PRO CA C 74 65.284 65.284 64.127 1.157 25124 16445 1 24 . 1 1 74 74 PRO CB C 74 32.130 32.130 31.864 0.266 25124 16446 1 24 . 1 1 75 75 MET N N 75 114.676 114.676 116.810 -2.134 25124 16447 1 24 . 1 1 75 75 MET HA H 75 4.587 4.587 4.334 0.253 25124 16448 1 24 . 1 1 75 75 MET C C 75 176.067 176.067 175.930 0.137 25124 16449 1 24 . 1 1 75 75 MET CA C 75 54.304 54.304 56.010 -1.706 25124 16450 1 24 . 1 1 75 75 MET CB C 75 31.623 31.623 32.605 -0.982 25124 16451 1 24 . 1 1 75 75 MET H H 75 8.648 8.648 7.858 0.790 25124 16452 1 24 . 1 1 76 76 LEU N N 76 125.720 125.720 117.385 8.335 25124 16453 1 24 . 1 1 76 76 LEU HA H 76 4.293 4.293 4.602 -0.309 25124 16454 1 24 . 1 1 76 76 LEU CA C 76 53.472 53.472 52.073 1.399 25124 16455 1 24 . 1 1 76 76 LEU CB C 76 43.540 43.540 41.625 1.915 25124 16456 1 24 . 1 1 76 76 LEU H H 76 7.342 7.342 7.325 0.017 25124 16457 1 24 . 1 1 77 77 PRO HA H 77 4.440 4.440 4.528 -0.088 25124 16458 1 24 . 1 1 77 77 PRO C C 77 175.062 175.062 175.785 -0.723 25124 16459 1 24 . 1 1 77 77 PRO CA C 77 62.841 62.841 62.751 0.090 25124 16460 1 24 . 1 1 77 77 PRO CB C 77 31.903 31.903 32.516 -0.613 25124 16461 1 24 . 1 1 78 78 VAL N N 78 123.116 123.116 119.202 3.914 25124 16462 1 24 . 1 1 78 78 VAL HA H 78 5.093 5.093 4.300 0.793 25124 16463 1 24 . 1 1 78 78 VAL C C 78 175.776 175.776 174.433 1.343 25124 16464 1 24 . 1 1 78 78 VAL CA C 78 60.083 60.083 61.558 -1.475 25124 16465 1 24 . 1 1 78 78 VAL CB C 78 34.245 34.245 35.908 -1.663 25124 16466 1 24 . 1 1 78 78 VAL H H 78 8.369 8.369 8.341 0.028 25124 16467 1 24 . 1 1 79 79 ILE N N 79 129.166 129.166 122.150 7.016 25124 16468 1 24 . 1 1 79 79 ILE HA H 79 4.499 4.499 4.584 -0.085 25124 16469 1 24 . 1 1 79 79 ILE C C 79 174.295 174.295 175.050 -0.755 25124 16470 1 24 . 1 1 79 79 ILE CA C 79 60.030 60.030 59.870 0.160 25124 16471 1 24 . 1 1 79 79 ILE CB C 79 40.222 40.222 41.533 -1.311 25124 16472 1 24 . 1 1 79 79 ILE H H 79 9.436 9.436 8.112 1.324 25124 16473 1 24 . 1 1 80 80 ILE N N 80 128.234 128.234 125.489 2.745 25124 16474 1 24 . 1 1 80 80 ILE HA H 80 5.253 5.253 4.766 0.487 25124 16475 1 24 . 1 1 80 80 ILE C C 80 173.449 173.449 174.335 -0.886 25124 16476 1 24 . 1 1 80 80 ILE CA C 80 56.265 56.265 59.830 -3.565 25124 16477 1 24 . 1 1 80 80 ILE CB C 80 38.176 38.176 38.590 -0.414 25124 16478 1 24 . 1 1 80 80 ILE H H 80 7.920 7.920 8.156 -0.236 25124 16479 1 24 . 1 1 81 81 MET N N 81 124.079 124.079 127.235 -3.156 25124 16480 1 24 . 1 1 81 81 MET HA H 81 5.489 5.489 4.830 0.659 25124 16481 1 24 . 1 1 81 81 MET C C 81 173.820 173.820 173.839 -0.019 25124 16482 1 24 . 1 1 81 81 MET CA C 81 52.889 52.889 55.311 -2.422 25124 16483 1 24 . 1 1 81 81 MET CB C 81 36.663 36.663 35.046 1.617 25124 16484 1 24 . 1 1 81 81 MET H H 81 9.028 9.028 8.268 0.760 25124 16485 1 24 . 1 1 82 82 THR N N 82 108.434 108.434 119.057 -10.623 25124 16486 1 24 . 1 1 82 82 THR HA H 82 5.134 5.134 4.624 0.510 25124 16487 1 24 . 1 1 82 82 THR C C 82 172.550 172.550 172.224 0.326 25124 16488 1 24 . 1 1 82 82 THR CA C 82 60.642 60.642 61.112 -0.470 25124 16489 1 24 . 1 1 82 82 THR CB C 82 68.843 68.843 70.815 -1.972 25124 16490 1 24 . 1 1 82 82 THR H H 82 7.098 7.098 8.184 -1.086 25124 16491 1 24 . 1 1 83 83 ALA N N 83 128.991 128.991 123.498 5.493 25124 16492 1 24 . 1 1 83 83 ALA HA H 83 4.678 4.678 4.856 -0.178 25124 16493 1 24 . 1 1 83 83 ALA C C 83 177.812 177.812 176.987 0.825 25124 16494 1 24 . 1 1 83 83 ALA CA C 83 52.457 52.457 50.265 2.192 25124 16495 1 24 . 1 1 83 83 ALA CB C 83 19.396 19.396 21.047 -1.651 25124 16496 1 24 . 1 1 83 83 ALA H H 83 8.590 8.590 8.321 0.269 25124 16497 1 24 . 1 1 84 84 HIS N N 84 121.904 121.904 115.511 6.393 25124 16498 1 24 . 1 1 84 84 HIS HA H 84 4.576 4.576 4.247 0.329 25124 16499 1 24 . 1 1 84 84 HIS C C 84 175.512 175.512 176.185 -0.673 25124 16500 1 24 . 1 1 84 84 HIS CA C 84 56.674 56.674 58.209 -1.534 25124 16501 1 24 . 1 1 84 84 HIS CB C 84 29.589 29.589 29.550 0.039 25124 16502 1 24 . 1 1 84 84 HIS H H 84 8.865 8.865 8.912 -0.047 25124 16503 1 24 . 1 1 85 85 SER N N 85 114.679 114.679 114.759 -0.080 25124 16504 1 24 . 1 1 85 85 SER HA H 85 4.303 4.303 4.046 0.257 25124 16505 1 24 . 1 1 85 85 SER C C 85 174.560 174.560 174.069 0.491 25124 16506 1 24 . 1 1 85 85 SER CA C 85 58.970 58.970 58.894 0.076 25124 16507 1 24 . 1 1 85 85 SER CB C 85 62.829 62.829 62.993 -0.164 25124 16508 1 24 . 1 1 85 85 SER H H 85 8.016 8.016 7.404 0.612 25124 16509 1 24 . 1 1 86 86 ASP N N 86 122.325 122.325 122.929 -0.604 25124 16510 1 24 . 1 1 86 86 ASP HA H 86 4.761 4.761 4.309 0.452 25124 16511 1 24 . 1 1 86 86 ASP C C 86 176.094 176.094 177.167 -1.073 25124 16512 1 24 . 1 1 86 86 ASP CA C 86 53.627 53.627 55.933 -2.306 25124 16513 1 24 . 1 1 86 86 ASP CB C 86 40.942 40.942 40.175 0.767 25124 16514 1 24 . 1 1 86 86 ASP H H 86 8.054 8.054 8.658 -0.604 25124 16515 1 24 . 1 1 87 87 LEU N N 87 122.041 122.041 120.074 1.967 25124 16516 1 24 . 1 1 87 87 LEU HA H 87 4.069 4.069 3.990 0.079 25124 16517 1 24 . 1 1 87 87 LEU C C 87 177.892 177.892 177.598 0.294 25124 16518 1 24 . 1 1 87 87 LEU CA C 87 57.182 57.182 57.250 -0.068 25124 16519 1 24 . 1 1 87 87 LEU CB C 87 42.015 42.015 41.924 0.091 25124 16520 1 24 . 1 1 87 87 LEU H H 87 8.005 8.005 7.450 0.555 25124 16521 1 24 . 1 1 88 88 ASP N N 88 118.050 118.050 120.143 -2.093 25124 16522 1 24 . 1 1 88 88 ASP HA H 88 4.370 4.370 4.238 0.132 25124 16523 1 24 . 1 1 88 88 ASP C C 88 178.103 178.103 177.361 0.742 25124 16524 1 24 . 1 1 88 88 ASP CA C 88 56.342 56.342 57.210 -0.868 25124 16525 1 24 . 1 1 88 88 ASP CB C 88 40.280 40.280 40.401 -0.121 25124 16526 1 24 . 1 1 88 88 ASP H H 88 8.243 8.243 8.515 -0.272 25124 16527 1 24 . 1 1 89 89 ALA N N 89 122.780 122.780 121.094 1.686 25124 16528 1 24 . 1 1 89 89 ALA HA H 89 4.038 4.038 3.906 0.132 25124 16529 1 24 . 1 1 89 89 ALA C C 89 178.526 178.526 178.913 -0.387 25124 16530 1 24 . 1 1 89 89 ALA CA C 89 54.655 54.655 54.549 0.106 25124 16531 1 24 . 1 1 89 89 ALA CB C 89 18.809 18.809 18.494 0.315 25124 16532 1 24 . 1 1 89 89 ALA H H 89 7.890 7.890 7.613 0.277 25124 16533 1 24 . 1 1 90 90 ALA N N 90 120.040 120.040 121.308 -1.268 25124 16534 1 24 . 1 1 90 90 ALA HA H 90 3.254 3.254 3.737 -0.483 25124 16535 1 24 . 1 1 90 90 ALA C C 90 178.976 178.976 179.056 -0.080 25124 16536 1 24 . 1 1 90 90 ALA CA C 90 55.050 55.050 54.916 0.134 25124 16537 1 24 . 1 1 90 90 ALA CB C 90 17.725 17.725 18.150 -0.425 25124 16538 1 24 . 1 1 90 90 ALA H H 90 7.513 7.513 7.899 -0.386 25124 16539 1 24 . 1 1 91 91 VAL N N 91 116.635 116.635 118.289 -1.654 25124 16540 1 24 . 1 1 91 91 VAL HA H 91 3.637 3.637 3.787 -0.150 25124 16541 1 24 . 1 1 91 91 VAL C C 91 178.632 178.632 178.330 0.302 25124 16542 1 24 . 1 1 91 91 VAL CA C 91 65.971 65.971 65.496 0.475 25124 16543 1 24 . 1 1 91 91 VAL CB C 91 31.623 31.623 30.725 0.898 25124 16544 1 24 . 1 1 91 91 VAL H H 91 7.877 7.877 7.569 0.308 25124 16545 1 24 . 1 1 92 92 SER N N 92 115.439 115.439 115.046 0.393 25124 16546 1 24 . 1 1 92 92 SER HA H 92 4.215 4.215 4.106 0.109 25124 16547 1 24 . 1 1 92 92 SER C C 92 175.961 175.961 176.459 -0.498 25124 16548 1 24 . 1 1 92 92 SER CA C 92 61.401 61.401 61.424 -0.023 25124 16549 1 24 . 1 1 92 92 SER CB C 92 62.966 62.966 62.844 0.121 25124 16550 1 24 . 1 1 92 92 SER H H 92 7.912 7.912 7.694 0.218 25124 16551 1 24 . 1 1 93 93 ALA N N 93 122.647 122.647 124.048 -1.401 25124 16552 1 24 . 1 1 93 93 ALA HA H 93 3.786 3.786 3.976 -0.190 25124 16553 1 24 . 1 1 93 93 ALA C C 93 179.293 179.293 179.802 -0.509 25124 16554 1 24 . 1 1 93 93 ALA CA C 93 55.172 55.172 54.922 0.250 25124 16555 1 24 . 1 1 93 93 ALA CB C 93 17.161 17.161 17.992 -0.831 25124 16556 1 24 . 1 1 93 93 ALA H H 93 8.199 8.199 7.973 0.226 25124 16557 1 24 . 1 1 94 94 TYR N N 94 117.796 117.796 118.545 -0.749 25124 16558 1 24 . 1 1 94 94 TYR HA H 94 4.283 4.283 4.162 0.121 25124 16559 1 24 . 1 1 94 94 TYR C C 94 179.954 179.954 178.551 1.403 25124 16560 1 24 . 1 1 94 94 TYR CA C 94 61.216 61.216 61.616 -0.400 25124 16561 1 24 . 1 1 94 94 TYR CB C 94 37.716 37.716 37.963 -0.247 25124 16562 1 24 . 1 1 94 94 TYR H H 94 8.065 8.065 7.640 0.425 25124 16563 1 24 . 1 1 95 95 GLN N N 95 120.057 120.057 116.837 3.220 25124 16564 1 24 . 1 1 95 95 GLN HA H 95 4.005 4.005 4.064 -0.059 25124 16565 1 24 . 1 1 95 95 GLN C C 95 177.680 177.680 178.138 -0.458 25124 16566 1 24 . 1 1 95 95 GLN CA C 95 58.471 58.471 58.391 0.080 25124 16567 1 24 . 1 1 95 95 GLN CB C 95 28.334 28.334 28.589 -0.255 25124 16568 1 24 . 1 1 95 95 GLN H H 95 8.513 8.513 7.605 0.908 25124 16569 1 24 . 1 1 96 96 GLN N N 96 115.323 115.323 117.003 -1.680 25124 16570 1 24 . 1 1 96 96 GLN HA H 96 4.321 4.321 4.327 -0.006 25124 16571 1 24 . 1 1 96 96 GLN C C 96 175.538 175.538 176.788 -1.250 25124 16572 1 24 . 1 1 96 96 GLN CA C 96 55.379 55.379 56.389 -1.010 25124 16573 1 24 . 1 1 96 96 GLN CB C 96 28.915 28.915 30.201 -1.286 25124 16574 1 24 . 1 1 96 96 GLN H H 96 7.774 7.774 7.910 -0.136 25124 16575 1 24 . 1 1 97 97 GLY N N 97 104.173 104.173 106.366 -2.193 25124 16576 1 24 . 1 1 97 97 GLY C C 97 175.168 175.168 173.294 1.874 25124 16577 1 24 . 1 1 97 97 GLY CA C 97 45.491 45.491 44.700 0.791 25124 16578 1 24 . 1 1 97 97 GLY H H 97 7.576 7.576 7.731 -0.155 25124 16579 1 24 . 1 1 98 98 ALA N N 98 123.484 123.484 121.298 2.186 25124 16580 1 24 . 1 1 98 98 ALA HA H 98 4.266 4.266 4.443 -0.177 25124 16581 1 24 . 1 1 98 98 ALA C C 98 176.067 176.067 176.337 -0.270 25124 16582 1 24 . 1 1 98 98 ALA CA C 98 53.008 53.008 51.754 1.254 25124 16583 1 24 . 1 1 98 98 ALA CB C 98 18.556 18.556 19.787 -1.231 25124 16584 1 24 . 1 1 98 98 ALA H H 98 8.358 8.358 7.549 0.809 25124 16585 1 24 . 1 1 99 99 PHE N N 99 123.551 123.551 119.944 3.607 25124 16586 1 24 . 1 1 99 99 PHE HA H 99 4.259 4.259 4.668 -0.409 25124 16587 1 24 . 1 1 99 99 PHE C C 99 175.432 175.432 175.486 -0.054 25124 16588 1 24 . 1 1 99 99 PHE CA C 99 60.274 60.274 59.436 0.838 25124 16589 1 24 . 1 1 99 99 PHE CB C 99 40.375 40.375 41.307 -0.932 25124 16590 1 24 . 1 1 99 99 PHE H H 99 9.477 9.477 8.265 1.212 25124 16591 1 24 . 1 1 100 100 ASP N N 100 110.678 110.678 115.167 -4.489 25124 16592 1 24 . 1 1 100 100 ASP HA H 100 4.547 4.547 4.750 -0.203 25124 16593 1 24 . 1 1 100 100 ASP C C 100 173.053 173.053 173.643 -0.590 25124 16594 1 24 . 1 1 100 100 ASP CA C 100 52.527 52.527 54.123 -1.596 25124 16595 1 24 . 1 1 100 100 ASP CB C 100 44.789 44.789 42.890 1.899 25124 16596 1 24 . 1 1 100 100 ASP H H 100 7.683 7.683 7.946 -0.263 25124 16597 1 24 . 1 1 101 101 TYR N N 101 122.174 122.174 121.543 0.631 25124 16598 1 24 . 1 1 101 101 TYR HA H 101 5.425 5.425 5.171 0.254 25124 16599 1 24 . 1 1 101 101 TYR C C 101 172.550 172.550 174.280 -1.730 25124 16600 1 24 . 1 1 101 101 TYR CA C 101 55.865 55.865 56.082 -0.217 25124 16601 1 24 . 1 1 101 101 TYR CB C 101 41.760 41.760 39.477 2.283 25124 16602 1 24 . 1 1 101 101 TYR H H 101 9.874 9.874 8.696 1.178 25124 16603 1 24 . 1 1 102 102 LEU N N 102 129.337 129.337 129.876 -0.539 25124 16604 1 24 . 1 1 102 102 LEU HA H 102 4.677 4.677 4.647 0.030 25124 16605 1 24 . 1 1 102 102 LEU CA C 102 50.418 50.418 50.671 -0.253 25124 16606 1 24 . 1 1 102 102 LEU CB C 102 45.066 45.066 43.583 1.483 25124 16607 1 24 . 1 1 102 102 LEU H H 102 8.974 8.974 8.225 0.749 25124 16608 1 24 . 1 1 103 103 PRO HA H 103 4.552 4.552 4.492 0.060 25124 16609 1 24 . 1 1 103 103 PRO C C 103 176.067 176.067 175.400 0.667 25124 16610 1 24 . 1 1 103 103 PRO CA C 103 61.951 61.951 62.199 -0.248 25124 16611 1 24 . 1 1 103 103 PRO CB C 103 31.829 31.829 32.106 -0.277 25124 16612 1 24 . 1 1 104 104 LYS N N 104 118.403 118.403 120.764 -2.361 25124 16613 1 24 . 1 1 104 104 LYS HA H 104 4.459 4.459 4.941 -0.482 25124 16614 1 24 . 1 1 104 104 LYS CA C 104 53.204 53.204 53.555 -0.351 25124 16615 1 24 . 1 1 104 104 LYS CB C 104 34.500 34.500 32.236 2.264 25124 16616 1 24 . 1 1 104 104 LYS H H 104 8.013 8.013 8.255 -0.242 25124 16617 1 24 . 1 1 105 105 PRO HA H 105 4.258 4.258 4.560 -0.302 25124 16618 1 24 . 1 1 105 105 PRO C C 105 174.930 174.930 176.090 -1.160 25124 16619 1 24 . 1 1 105 105 PRO CA C 105 62.213 62.213 63.078 -0.864 25124 16620 1 24 . 1 1 105 105 PRO CB C 105 34.151 34.151 31.822 2.329 25124 16621 1 24 . 1 1 106 106 PHE N N 106 116.796 116.796 121.236 -4.440 25124 16622 1 24 . 1 1 106 106 PHE HA H 106 5.169 5.169 4.773 0.396 25124 16623 1 24 . 1 1 106 106 PHE C C 106 175.194 175.194 174.891 0.303 25124 16624 1 24 . 1 1 106 106 PHE CA C 106 53.244 53.244 55.546 -2.302 25124 16625 1 24 . 1 1 106 106 PHE CB C 106 40.477 40.477 40.889 -0.412 25124 16626 1 24 . 1 1 106 106 PHE H H 106 7.399 7.399 7.603 -0.204 25124 16627 1 24 . 1 1 107 107 ASP N N 107 122.212 122.212 122.264 -0.052 25124 16628 1 24 . 1 1 107 107 ASP HA H 107 4.823 4.823 4.790 0.033 25124 16629 1 24 . 1 1 107 107 ASP C C 107 177.812 177.812 177.851 -0.039 25124 16630 1 24 . 1 1 107 107 ASP CA C 107 53.392 53.392 53.117 0.275 25124 16631 1 24 . 1 1 107 107 ASP CB C 107 42.455 42.455 41.545 0.910 25124 16632 1 24 . 1 1 107 107 ASP H H 107 9.047 9.047 8.576 0.471 25124 16633 1 24 . 1 1 108 108 ILE N N 108 127.963 127.963 124.162 3.801 25124 16634 1 24 . 1 1 108 108 ILE HA H 108 3.949 3.949 3.993 -0.044 25124 16635 1 24 . 1 1 108 108 ILE C C 108 176.226 176.226 176.899 -0.673 25124 16636 1 24 . 1 1 108 108 ILE CA C 108 63.105 63.105 64.270 -1.165 25124 16637 1 24 . 1 1 108 108 ILE CB C 108 37.665 37.665 37.329 0.336 25124 16638 1 24 . 1 1 108 108 ILE H H 108 8.898 8.898 8.420 0.478 25124 16639 1 24 . 1 1 109 109 ASP N N 109 119.804 119.804 121.112 -1.308 25124 16640 1 24 . 1 1 109 109 ASP HA H 109 4.393 4.393 4.343 0.050 25124 16641 1 24 . 1 1 109 109 ASP C C 109 179.848 179.848 178.806 1.042 25124 16642 1 24 . 1 1 109 109 ASP CA C 109 57.483 57.483 57.894 -0.410 25124 16643 1 24 . 1 1 109 109 ASP CB C 109 39.986 39.986 40.421 -0.435 25124 16644 1 24 . 1 1 109 109 ASP H H 109 8.098 8.098 8.533 -0.435 25124 16645 1 24 . 1 1 110 110 GLU N N 110 121.667 121.667 118.994 2.673 25124 16646 1 24 . 1 1 110 110 GLU HA H 110 4.085 4.085 4.335 -0.250 25124 16647 1 24 . 1 1 110 110 GLU C C 110 178.976 178.976 178.299 0.677 25124 16648 1 24 . 1 1 110 110 GLU CA C 110 58.790 58.790 58.335 0.455 25124 16649 1 24 . 1 1 110 110 GLU CB C 110 29.330 29.330 29.822 -0.492 25124 16650 1 24 . 1 1 110 110 GLU H H 110 8.059 8.059 8.181 -0.122 25124 16651 1 24 . 1 1 111 111 ALA N N 111 122.208 122.208 123.224 -1.016 25124 16652 1 24 . 1 1 111 111 ALA HA H 111 3.758 3.758 4.197 -0.439 25124 16653 1 24 . 1 1 111 111 ALA C C 111 178.605 178.605 179.376 -0.771 25124 16654 1 24 . 1 1 111 111 ALA CA C 111 55.320 55.320 55.205 0.115 25124 16655 1 24 . 1 1 111 111 ALA CB C 111 18.174 18.174 18.537 -0.363 25124 16656 1 24 . 1 1 111 111 ALA H H 111 7.903 7.903 7.652 0.251 25124 16657 1 24 . 1 1 112 112 VAL N N 112 116.429 116.429 118.118 -1.689 25124 16658 1 24 . 1 1 112 112 VAL HA H 112 3.194 3.194 3.636 -0.442 25124 16659 1 24 . 1 1 112 112 VAL C C 112 177.230 177.230 177.979 -0.749 25124 16660 1 24 . 1 1 112 112 VAL CA C 112 67.154 67.154 67.215 -0.061 25124 16661 1 24 . 1 1 112 112 VAL CB C 112 31.538 31.538 31.217 0.321 25124 16662 1 24 . 1 1 112 112 VAL H H 112 8.032 8.032 8.595 -0.563 25124 16663 1 24 . 1 1 113 113 ALA N N 113 120.198 120.198 119.666 0.532 25124 16664 1 24 . 1 1 113 113 ALA HA H 113 4.159 4.159 4.238 -0.079 25124 16665 1 24 . 1 1 113 113 ALA C C 113 180.589 180.589 179.160 1.429 25124 16666 1 24 . 1 1 113 113 ALA CA C 113 54.902 54.902 53.934 0.968 25124 16667 1 24 . 1 1 113 113 ALA CB C 113 17.980 17.980 18.796 -0.816 25124 16668 1 24 . 1 1 113 113 ALA H H 113 7.723 7.723 7.804 -0.081 25124 16669 1 24 . 1 1 114 114 LEU N N 114 120.742 120.742 120.271 0.471 25124 16670 1 24 . 1 1 114 114 LEU HA H 114 4.102 4.102 4.209 -0.107 25124 16671 1 24 . 1 1 114 114 LEU C C 114 178.605 178.605 178.278 0.327 25124 16672 1 24 . 1 1 114 114 LEU CA C 114 58.181 58.181 57.333 0.848 25124 16673 1 24 . 1 1 114 114 LEU CB C 114 42.032 42.032 42.115 -0.083 25124 16674 1 24 . 1 1 114 114 LEU H H 114 7.928 7.928 7.418 0.510 25124 16675 1 24 . 1 1 115 115 VAL N N 115 119.478 119.478 118.232 1.246 25124 16676 1 24 . 1 1 115 115 VAL HA H 115 3.250 3.250 3.445 -0.195 25124 16677 1 24 . 1 1 115 115 VAL C C 115 177.548 177.548 177.643 -0.095 25124 16678 1 24 . 1 1 115 115 VAL CA C 115 67.168 67.168 67.315 -0.147 25124 16679 1 24 . 1 1 115 115 VAL CB C 115 30.760 30.760 31.736 -0.976 25124 16680 1 24 . 1 1 115 115 VAL H H 115 7.846 7.846 8.391 -0.545 25124 16681 1 24 . 1 1 116 116 GLU N N 116 117.570 117.570 117.086 0.484 25124 16682 1 24 . 1 1 116 116 GLU HA H 116 3.809 3.809 4.114 -0.305 25124 16683 1 24 . 1 1 116 116 GLU C C 116 179.557 179.557 178.124 1.433 25124 16684 1 24 . 1 1 116 116 GLU CA C 116 59.974 59.974 58.232 1.742 25124 16685 1 24 . 1 1 116 116 GLU CB C 116 29.084 29.084 28.885 0.199 25124 16686 1 24 . 1 1 116 116 GLU H H 116 8.462 8.462 7.849 0.613 25124 16687 1 24 . 1 1 117 117 ARG N N 117 120.263 120.263 120.405 -0.142 25124 16688 1 24 . 1 1 117 117 ARG HA H 117 4.109 4.109 4.028 0.081 25124 16689 1 24 . 1 1 117 117 ARG C C 117 178.500 178.500 178.490 0.010 25124 16690 1 24 . 1 1 117 117 ARG CA C 117 59.411 59.411 59.548 -0.137 25124 16691 1 24 . 1 1 117 117 ARG CB C 117 30.414 30.414 30.206 0.208 25124 16692 1 24 . 1 1 117 117 ARG H H 117 8.090 8.090 7.710 0.380 25124 16693 1 24 . 1 1 118 118 ALA N N 118 122.157 122.157 119.859 2.298 25124 16694 1 24 . 1 1 118 118 ALA HA H 118 3.467 3.467 4.178 -0.711 25124 16695 1 24 . 1 1 118 118 ALA C C 118 178.632 178.632 178.988 -0.356 25124 16696 1 24 . 1 1 118 118 ALA CA C 118 54.739 54.739 54.191 0.548 25124 16697 1 24 . 1 1 118 118 ALA CB C 118 18.280 18.280 18.287 -0.007 25124 16698 1 24 . 1 1 118 118 ALA H H 118 8.005 8.005 7.209 0.796 25124 16699 1 24 . 1 1 119 119 ILE N N 119 115.429 115.429 119.022 -3.593 25124 16700 1 24 . 1 1 119 119 ILE HA H 119 3.706 3.706 3.752 -0.046 25124 16701 1 24 . 1 1 119 119 ILE C C 119 177.442 177.442 178.170 -0.728 25124 16702 1 24 . 1 1 119 119 ILE CA C 119 63.910 63.910 64.855 -0.945 25124 16703 1 24 . 1 1 119 119 ILE CB C 119 37.939 37.939 37.544 0.395 25124 16704 1 24 . 1 1 119 119 ILE H H 119 7.788 7.788 7.411 0.377 25124 16705 1 24 . 1 1 120 120 SER N N 120 114.902 114.902 113.889 1.013 25124 16706 1 24 . 1 1 120 120 SER HA H 120 4.285 4.285 4.253 0.032 25124 16707 1 24 . 1 1 120 120 SER C C 120 175.142 175.142 175.761 -0.619 25124 16708 1 24 . 1 1 120 120 SER CA C 120 59.871 59.871 60.830 -0.959 25124 16709 1 24 . 1 1 120 120 SER CB C 120 63.522 63.522 63.057 0.465 25124 16710 1 24 . 1 1 120 120 SER H H 120 7.881 7.881 8.422 -0.541 25124 16711 1 24 . 1 1 121 121 HIS N N 121 119.927 119.927 119.838 0.089 25124 16712 1 24 . 1 1 121 121 HIS HA H 121 4.439 4.439 4.243 0.196 25124 16713 1 24 . 1 1 121 121 HIS C C 121 174.957 174.957 176.300 -1.343 25124 16714 1 24 . 1 1 121 121 HIS CA C 121 57.362 57.362 58.783 -1.421 25124 16715 1 24 . 1 1 121 121 HIS CB C 121 29.496 29.496 29.683 -0.187 25124 16716 1 24 . 1 1 121 121 HIS H H 121 7.960 7.960 7.428 0.532 25124 16717 1 24 . 1 1 122 122 TYR N N 122 118.745 118.745 116.030 2.715 25124 16718 1 24 . 1 1 122 122 TYR HA H 122 4.455 4.455 4.623 -0.168 25124 16719 1 24 . 1 1 122 122 TYR C C 122 175.353 175.353 176.688 -1.335 25124 16720 1 24 . 1 1 122 122 TYR CA C 122 58.528 58.528 59.059 -0.532 25124 16721 1 24 . 1 1 122 122 TYR CB C 122 38.726 38.726 38.969 -0.243 25124 16722 1 24 . 1 1 122 122 TYR H H 122 7.776 7.776 7.461 0.315 25124 16723 1 24 . 1 1 123 123 GLN N N 123 121.424 121.424 119.159 2.265 25124 16724 1 24 . 1 1 123 123 GLN HA H 123 4.294 4.294 4.397 -0.103 25124 16725 1 24 . 1 1 123 123 GLN C C 123 174.560 174.560 176.044 -1.484 25124 16726 1 24 . 1 1 123 123 GLN CA C 123 55.658 55.658 55.731 -0.073 25124 16727 1 24 . 1 1 123 123 GLN CB C 123 29.877 29.877 30.306 -0.429 25124 16728 1 24 . 1 1 123 123 GLN H H 123 7.904 7.904 8.094 -0.190 25124 16729 1 25 . 1 1 2 2 GLN HA H 2 4.453 4.453 4.443 0.010 25124 16730 1 25 . 1 1 2 2 GLN C C 2 174.930 174.930 173.925 1.005 25124 16731 1 25 . 1 1 2 2 GLN CA C 2 55.627 55.627 56.535 -0.908 25124 16732 1 25 . 1 1 2 2 GLN CB C 2 29.312 29.312 29.912 -0.600 25124 16733 1 25 . 1 1 3 3 ARG N N 3 121.349 121.349 121.852 -0.503 25124 16734 1 25 . 1 1 3 3 ARG HA H 3 4.390 4.390 4.573 -0.183 25124 16735 1 25 . 1 1 3 3 ARG C C 3 175.723 175.723 173.669 2.054 25124 16736 1 25 . 1 1 3 3 ARG CA C 3 56.041 56.041 56.050 -0.009 25124 16737 1 25 . 1 1 3 3 ARG CB C 3 31.395 31.395 32.099 -0.704 25124 16738 1 25 . 1 1 3 3 ARG H H 3 8.451 8.451 8.037 0.414 25124 16739 1 25 . 1 1 4 4 GLY N N 4 107.889 107.889 108.389 -0.500 25124 16740 1 25 . 1 1 4 4 GLY C C 4 171.122 171.122 172.806 -1.684 25124 16741 1 25 . 1 1 4 4 GLY CA C 4 45.333 45.333 44.294 1.039 25124 16742 1 25 . 1 1 4 4 GLY H H 4 8.037 8.037 8.379 -0.342 25124 16743 1 25 . 1 1 5 5 ILE N N 5 122.674 122.674 121.288 1.386 25124 16744 1 25 . 1 1 5 5 ILE HA H 5 4.731 4.731 3.963 0.768 25124 16745 1 25 . 1 1 5 5 ILE C C 5 175.459 175.459 174.689 0.770 25124 16746 1 25 . 1 1 5 5 ILE CA C 5 60.614 60.614 62.049 -1.435 25124 16747 1 25 . 1 1 5 5 ILE CB C 5 39.535 39.535 37.658 1.877 25124 16748 1 25 . 1 1 5 5 ILE H H 5 9.605 9.605 8.333 1.272 25124 16749 1 25 . 1 1 6 6 VAL N N 6 127.532 127.532 127.337 0.195 25124 16750 1 25 . 1 1 6 6 VAL HA H 6 4.892 4.892 4.551 0.341 25124 16751 1 25 . 1 1 6 6 VAL C C 6 174.110 174.110 175.081 -0.971 25124 16752 1 25 . 1 1 6 6 VAL CA C 6 59.255 59.255 61.303 -2.048 25124 16753 1 25 . 1 1 6 6 VAL CB C 6 34.530 34.530 32.306 2.224 25124 16754 1 25 . 1 1 6 6 VAL H H 6 9.135 9.135 7.989 1.146 25124 16755 1 25 . 1 1 7 7 TRP N N 7 127.409 127.409 128.829 -1.420 25124 16756 1 25 . 1 1 7 7 TRP HA H 7 6.447 6.447 5.409 1.038 25124 16757 1 25 . 1 1 7 7 TRP C C 7 175.089 175.089 175.444 -0.355 25124 16758 1 25 . 1 1 7 7 TRP CA C 7 52.797 52.797 54.224 -1.427 25124 16759 1 25 . 1 1 7 7 TRP CB C 7 33.255 33.255 30.850 2.405 25124 16760 1 25 . 1 1 7 7 TRP H H 7 8.544 8.544 8.099 0.445 25124 16761 1 25 . 1 1 8 8 VAL N N 8 122.270 122.270 125.260 -2.990 25124 16762 1 25 . 1 1 8 8 VAL HA H 8 5.135 5.135 4.884 0.251 25124 16763 1 25 . 1 1 8 8 VAL C C 8 173.820 173.820 174.440 -0.620 25124 16764 1 25 . 1 1 8 8 VAL CA C 8 60.457 60.457 60.895 -0.438 25124 16765 1 25 . 1 1 8 8 VAL CB C 8 35.893 35.893 33.301 2.592 25124 16766 1 25 . 1 1 8 8 VAL H H 8 8.643 8.643 8.839 -0.196 25124 16767 1 25 . 1 1 9 9 VAL N N 9 126.806 126.806 129.369 -2.563 25124 16768 1 25 . 1 1 9 9 VAL HA H 9 5.192 5.192 4.542 0.650 25124 16769 1 25 . 1 1 9 9 VAL C C 9 172.550 172.550 173.699 -1.149 25124 16770 1 25 . 1 1 9 9 VAL CA C 9 58.384 58.384 59.929 -1.546 25124 16771 1 25 . 1 1 9 9 VAL CB C 9 34.135 34.135 32.949 1.186 25124 16772 1 25 . 1 1 9 9 VAL H H 9 9.113 9.113 8.607 0.506 25124 16773 1 25 . 1 1 10 10 ASP N N 10 125.011 125.011 127.101 -2.090 25124 16774 1 25 . 1 1 10 10 ASP HA H 10 4.554 4.554 4.831 -0.277 25124 16775 1 25 . 1 1 10 10 ASP C C 10 174.877 174.877 174.459 0.418 25124 16776 1 25 . 1 1 10 10 ASP CA C 10 55.066 55.066 53.147 1.919 25124 16777 1 25 . 1 1 10 10 ASP CB C 10 44.131 44.131 43.167 0.964 25124 16778 1 25 . 1 1 10 10 ASP H H 10 7.881 7.881 8.260 -0.379 25124 16779 1 25 . 1 1 11 11 ASP N N 11 124.048 124.048 119.940 4.108 25124 16780 1 25 . 1 1 11 11 ASP HA H 11 4.613 4.613 4.767 -0.154 25124 16781 1 25 . 1 1 11 11 ASP C C 11 175.089 175.089 174.675 0.414 25124 16782 1 25 . 1 1 11 11 ASP CA C 11 55.346 55.346 53.427 1.919 25124 16783 1 25 . 1 1 11 11 ASP CB C 11 39.583 39.583 40.429 -0.846 25124 16784 1 25 . 1 1 11 11 ASP H H 11 9.166 9.166 8.538 0.628 25124 16785 1 25 . 1 1 12 12 ASP N N 12 125.165 125.165 119.921 5.244 25124 16786 1 25 . 1 1 12 12 ASP HA H 12 4.757 4.757 4.800 -0.043 25124 16787 1 25 . 1 1 12 12 ASP C C 12 176.993 176.993 175.977 1.016 25124 16788 1 25 . 1 1 12 12 ASP CA C 12 53.112 53.112 53.759 -0.647 25124 16789 1 25 . 1 1 12 12 ASP CB C 12 41.072 41.072 42.912 -1.840 25124 16790 1 25 . 1 1 12 12 ASP H H 12 10.290 10.290 7.724 2.566 25124 16791 1 25 . 1 1 13 13 SER N N 13 123.818 123.818 117.361 6.457 25124 16792 1 25 . 1 1 13 13 SER HA H 13 3.719 3.719 4.216 -0.497 25124 16793 1 25 . 1 1 13 13 SER C C 13 176.146 176.146 176.076 0.070 25124 16794 1 25 . 1 1 13 13 SER CA C 13 61.341 61.341 61.321 0.020 25124 16795 1 25 . 1 1 13 13 SER CB C 13 62.638 62.638 63.394 -0.756 25124 16796 1 25 . 1 1 13 13 SER H H 13 8.993 8.993 8.711 0.282 25124 16797 1 25 . 1 1 14 14 SER N N 14 118.714 118.714 118.721 -0.007 25124 16798 1 25 . 1 1 14 14 SER HA H 14 4.322 4.322 4.411 -0.089 25124 16799 1 25 . 1 1 14 14 SER C C 14 176.411 176.411 176.264 0.147 25124 16800 1 25 . 1 1 14 14 SER CA C 14 61.717 61.717 61.004 0.713 25124 16801 1 25 . 1 1 14 14 SER CB C 14 62.554 62.554 62.716 -0.162 25124 16802 1 25 . 1 1 14 14 SER H H 14 8.499 8.499 8.214 0.285 25124 16803 1 25 . 1 1 15 15 ILE N N 15 122.822 122.822 120.643 2.179 25124 16804 1 25 . 1 1 15 15 ILE HA H 15 3.972 3.972 3.683 0.289 25124 16805 1 25 . 1 1 15 15 ILE C C 15 177.786 177.786 178.107 -0.321 25124 16806 1 25 . 1 1 15 15 ILE CA C 15 60.784 60.784 63.463 -2.679 25124 16807 1 25 . 1 1 15 15 ILE CB C 15 36.016 36.016 36.510 -0.494 25124 16808 1 25 . 1 1 15 15 ILE H H 15 7.011 7.011 8.184 -1.173 25124 16809 1 25 . 1 1 16 16 ARG N N 16 116.580 116.580 118.992 -2.412 25124 16810 1 25 . 1 1 16 16 ARG HA H 16 3.711 3.711 4.142 -0.431 25124 16811 1 25 . 1 1 16 16 ARG C C 16 177.336 177.336 178.554 -1.218 25124 16812 1 25 . 1 1 16 16 ARG CA C 16 61.632 61.632 59.568 2.064 25124 16813 1 25 . 1 1 16 16 ARG CB C 16 30.520 30.520 30.396 0.124 25124 16814 1 25 . 1 1 16 16 ARG H H 16 7.370 7.370 7.598 -0.228 25124 16815 1 25 . 1 1 17 17 TRP N N 17 116.893 116.893 122.643 -5.750 25124 16816 1 25 . 1 1 17 17 TRP HA H 17 4.481 4.481 4.398 0.083 25124 16817 1 25 . 1 1 17 17 TRP C C 17 178.394 178.394 178.252 0.142 25124 16818 1 25 . 1 1 17 17 TRP CA C 17 60.482 60.482 61.175 -0.693 25124 16819 1 25 . 1 1 17 17 TRP CB C 17 29.372 29.372 29.461 -0.089 25124 16820 1 25 . 1 1 17 17 TRP H H 17 8.020 8.020 8.232 -0.212 25124 16821 1 25 . 1 1 18 18 VAL N N 18 116.799 116.799 116.505 0.294 25124 16822 1 25 . 1 1 18 18 VAL HA H 18 3.662 3.662 2.634 1.028 25124 16823 1 25 . 1 1 18 18 VAL C C 18 179.161 179.161 177.783 1.378 25124 16824 1 25 . 1 1 18 18 VAL CA C 18 65.858 65.858 65.356 0.503 25124 16825 1 25 . 1 1 18 18 VAL CB C 18 31.792 31.792 30.947 0.845 25124 16826 1 25 . 1 1 18 18 VAL H H 18 8.085 8.085 8.316 -0.231 25124 16827 1 25 . 1 1 19 19 LEU N N 19 119.595 119.595 120.455 -0.860 25124 16828 1 25 . 1 1 19 19 LEU HA H 19 4.083 4.083 3.858 0.225 25124 16829 1 25 . 1 1 19 19 LEU C C 19 177.759 177.759 178.672 -0.913 25124 16830 1 25 . 1 1 19 19 LEU CA C 19 57.971 57.971 57.762 0.209 25124 16831 1 25 . 1 1 19 19 LEU CB C 19 41.863 41.863 41.495 0.367 25124 16832 1 25 . 1 1 19 19 LEU H H 19 8.035 8.035 7.364 0.671 25124 16833 1 25 . 1 1 20 20 GLU N N 20 120.318 120.318 119.331 0.987 25124 16834 1 25 . 1 1 20 20 GLU HA H 20 4.007 4.007 3.801 0.206 25124 16835 1 25 . 1 1 20 20 GLU C C 20 178.500 178.500 179.061 -0.561 25124 16836 1 25 . 1 1 20 20 GLU CA C 20 60.567 60.567 59.810 0.757 25124 16837 1 25 . 1 1 20 20 GLU CB C 20 29.073 29.073 29.430 -0.357 25124 16838 1 25 . 1 1 20 20 GLU H H 20 8.417 8.417 7.668 0.749 25124 16839 1 25 . 1 1 21 21 ARG N N 21 115.981 115.981 118.063 -2.082 25124 16840 1 25 . 1 1 21 21 ARG HA H 21 3.898 3.898 3.902 -0.004 25124 16841 1 25 . 1 1 21 21 ARG C C 21 179.769 179.769 177.958 1.811 25124 16842 1 25 . 1 1 21 21 ARG CA C 21 58.491 58.491 58.737 -0.246 25124 16843 1 25 . 1 1 21 21 ARG CB C 21 29.966 29.966 29.875 0.091 25124 16844 1 25 . 1 1 21 21 ARG H H 21 7.579 7.579 7.584 -0.005 25124 16845 1 25 . 1 1 22 22 ALA N N 22 122.267 122.267 121.456 0.811 25124 16846 1 25 . 1 1 22 22 ALA HA H 22 4.110 4.110 4.204 -0.094 25124 16847 1 25 . 1 1 22 22 ALA C C 22 180.456 180.456 179.498 0.958 25124 16848 1 25 . 1 1 22 22 ALA CA C 22 54.643 54.643 54.381 0.262 25124 16849 1 25 . 1 1 22 22 ALA CB C 22 19.225 19.225 18.661 0.564 25124 16850 1 25 . 1 1 22 22 ALA H H 22 7.933 7.933 7.597 0.336 25124 16851 1 25 . 1 1 23 23 LEU N N 23 118.139 118.139 119.869 -1.730 25124 16852 1 25 . 1 1 23 23 LEU HA H 23 4.005 4.005 3.847 0.158 25124 16853 1 25 . 1 1 23 23 LEU C C 23 178.843 178.843 179.433 -0.590 25124 16854 1 25 . 1 1 23 23 LEU CA C 23 57.765 57.765 57.901 -0.136 25124 16855 1 25 . 1 1 23 23 LEU CB C 23 39.919 39.919 41.342 -1.423 25124 16856 1 25 . 1 1 23 23 LEU H H 23 8.855 8.855 8.410 0.445 25124 16857 1 25 . 1 1 24 24 ALA N N 24 122.164 122.164 120.248 1.916 25124 16858 1 25 . 1 1 24 24 ALA HA H 24 4.665 4.665 4.054 0.611 25124 16859 1 25 . 1 1 24 24 ALA C C 24 183.206 183.206 179.418 3.788 25124 16860 1 25 . 1 1 24 24 ALA CA C 24 54.812 54.812 54.429 0.383 25124 16861 1 25 . 1 1 24 24 ALA CB C 24 17.820 17.820 18.465 -0.645 25124 16862 1 25 . 1 1 24 24 ALA H H 24 8.238 8.238 8.034 0.204 25124 16863 1 25 . 1 1 25 25 GLY N N 25 106.903 106.903 105.677 1.226 25124 16864 1 25 . 1 1 25 25 GLY C C 25 174.375 174.375 175.058 -0.683 25124 16865 1 25 . 1 1 25 25 GLY CA C 25 46.550 46.550 45.509 1.041 25124 16866 1 25 . 1 1 25 25 GLY H H 25 7.907 7.907 7.283 0.624 25124 16867 1 25 . 1 1 26 26 ALA N N 26 121.832 121.832 122.809 -0.977 25124 16868 1 25 . 1 1 26 26 ALA HA H 26 4.505 4.505 4.655 -0.150 25124 16869 1 25 . 1 1 26 26 ALA CA C 26 51.585 51.585 51.203 0.382 25124 16870 1 25 . 1 1 26 26 ALA CB C 26 18.799 18.799 19.032 -0.233 25124 16871 1 25 . 1 1 26 26 ALA H H 26 7.316 7.316 7.830 -0.514 25124 16872 1 25 . 1 1 27 27 GLY N N 27 106.146 106.146 106.543 -0.397 25124 16873 1 25 . 1 1 27 27 GLY C C 27 174.057 174.057 174.079 -0.022 25124 16874 1 25 . 1 1 27 27 GLY CA C 27 45.333 45.333 45.188 0.145 25124 16875 1 25 . 1 1 27 27 GLY H H 27 7.868 7.868 7.883 -0.015 25124 16876 1 25 . 1 1 28 28 LEU N N 28 120.273 120.273 120.680 -0.407 25124 16877 1 25 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.187 0.388 25124 16878 1 25 . 1 1 28 28 LEU C C 28 175.988 175.988 177.229 -1.241 25124 16879 1 25 . 1 1 28 28 LEU CA C 28 53.881 53.881 54.483 -0.602 25124 16880 1 25 . 1 1 28 28 LEU CB C 28 42.540 42.540 41.956 0.584 25124 16881 1 25 . 1 1 28 28 LEU H H 28 7.659 7.659 7.565 0.094 25124 16882 1 25 . 1 1 29 29 THR N N 29 118.173 118.173 119.339 -1.166 25124 16883 1 25 . 1 1 29 29 THR HA H 29 4.346 4.346 4.187 0.159 25124 16884 1 25 . 1 1 29 29 THR C C 29 173.344 173.344 173.790 -0.446 25124 16885 1 25 . 1 1 29 29 THR CA C 29 62.598 62.598 64.152 -1.554 25124 16886 1 25 . 1 1 29 29 THR CB C 29 69.423 69.423 69.354 0.069 25124 16887 1 25 . 1 1 29 29 THR H H 29 8.562 8.562 8.248 0.314 25124 16888 1 25 . 1 1 30 30 CYS N N 30 128.450 128.450 128.203 0.247 25124 16889 1 25 . 1 1 30 30 CYS HA H 30 6.012 6.012 4.842 1.170 25124 16890 1 25 . 1 1 30 30 CYS C C 30 173.978 173.978 173.929 0.049 25124 16891 1 25 . 1 1 30 30 CYS CA C 30 56.424 56.424 57.393 -0.969 25124 16892 1 25 . 1 1 30 30 CYS CB C 30 29.615 29.615 28.220 1.395 25124 16893 1 25 . 1 1 30 30 CYS H H 30 9.035 9.035 8.669 0.366 25124 16894 1 25 . 1 1 31 31 THR N N 31 126.377 126.377 125.633 0.744 25124 16895 1 25 . 1 1 31 31 THR HA H 31 4.442 4.442 4.584 -0.142 25124 16896 1 25 . 1 1 31 31 THR C C 31 172.683 172.683 172.761 -0.078 25124 16897 1 25 . 1 1 31 31 THR CA C 31 61.956 61.956 61.877 0.079 25124 16898 1 25 . 1 1 31 31 THR CB C 31 70.624 70.624 71.509 -0.885 25124 16899 1 25 . 1 1 31 31 THR H H 31 8.510 8.510 8.548 -0.038 25124 16900 1 25 . 1 1 32 32 THR N N 32 115.988 115.988 114.383 1.605 25124 16901 1 25 . 1 1 32 32 THR HA H 32 5.454 5.454 4.681 0.773 25124 16902 1 25 . 1 1 32 32 THR C C 32 172.259 172.259 171.790 0.469 25124 16903 1 25 . 1 1 32 32 THR CA C 32 59.101 59.101 59.940 -0.839 25124 16904 1 25 . 1 1 32 32 THR CB C 32 71.173 71.173 71.237 -0.064 25124 16905 1 25 . 1 1 32 32 THR H H 32 8.301 8.301 8.005 0.296 25124 16906 1 25 . 1 1 33 33 PHE N N 33 117.690 117.690 118.907 -1.217 25124 16907 1 25 . 1 1 33 33 PHE HA H 33 4.723 4.723 4.643 0.080 25124 16908 1 25 . 1 1 33 33 PHE C C 33 174.507 174.507 174.877 -0.370 25124 16909 1 25 . 1 1 33 33 PHE CA C 33 56.504 56.504 58.166 -1.662 25124 16910 1 25 . 1 1 33 33 PHE CB C 33 43.589 43.589 40.163 3.426 25124 16911 1 25 . 1 1 33 33 PHE H H 33 8.834 8.834 8.306 0.528 25124 16912 1 25 . 1 1 34 34 GLU N N 34 118.296 118.296 116.053 2.243 25124 16913 1 25 . 1 1 34 34 GLU HA H 34 4.451 4.451 4.505 -0.054 25124 16914 1 25 . 1 1 34 34 GLU C C 34 174.957 174.957 173.982 0.975 25124 16915 1 25 . 1 1 34 34 GLU CA C 34 56.661 56.661 56.591 0.070 25124 16916 1 25 . 1 1 34 34 GLU CB C 34 31.792 31.792 31.682 0.110 25124 16917 1 25 . 1 1 34 34 GLU H H 34 9.096 9.096 8.474 0.622 25124 16918 1 25 . 1 1 35 35 ASN N N 35 108.486 108.486 113.522 -5.036 25124 16919 1 25 . 1 1 35 35 ASN HA H 35 4.960 4.960 5.065 -0.105 25124 16920 1 25 . 1 1 35 35 ASN C C 35 175.353 175.353 176.546 -1.193 25124 16921 1 25 . 1 1 35 35 ASN CA C 35 52.364 52.364 51.641 0.723 25124 16922 1 25 . 1 1 35 35 ASN CB C 35 40.932 40.932 40.303 0.629 25124 16923 1 25 . 1 1 35 35 ASN H H 35 7.286 7.286 7.743 -0.457 25124 16924 1 25 . 1 1 36 36 GLY N N 36 105.329 105.329 107.200 -1.871 25124 16925 1 25 . 1 1 36 36 GLY C C 36 174.586 174.586 175.624 -1.038 25124 16926 1 25 . 1 1 36 36 GLY CA C 36 47.533 47.533 47.105 0.428 25124 16927 1 25 . 1 1 36 36 GLY H H 36 9.369 9.369 8.691 0.678 25124 16928 1 25 . 1 1 37 37 ASN N N 37 120.396 120.396 118.706 1.690 25124 16929 1 25 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.253 0.109 25124 16930 1 25 . 1 1 37 37 ASN C C 37 178.791 178.791 177.325 1.466 25124 16931 1 25 . 1 1 37 37 ASN CA C 37 56.843 56.843 56.563 0.280 25124 16932 1 25 . 1 1 37 37 ASN CB C 37 37.716 37.716 38.341 -0.625 25124 16933 1 25 . 1 1 37 37 ASN H H 37 8.440 8.440 8.269 0.171 25124 16934 1 25 . 1 1 38 38 GLU N N 38 119.334 119.334 119.084 0.250 25124 16935 1 25 . 1 1 38 38 GLU HA H 38 4.058 4.058 3.829 0.229 25124 16936 1 25 . 1 1 38 38 GLU C C 38 179.372 179.372 178.745 0.627 25124 16937 1 25 . 1 1 38 38 GLU CA C 38 58.790 58.790 59.247 -0.457 25124 16938 1 25 . 1 1 38 38 GLU CB C 38 30.692 30.692 29.633 1.059 25124 16939 1 25 . 1 1 38 38 GLU H H 38 8.063 8.063 7.808 0.255 25124 16940 1 25 . 1 1 39 39 VAL N N 39 119.047 119.047 119.965 -0.918 25124 16941 1 25 . 1 1 39 39 VAL HA H 39 2.599 2.599 2.706 -0.107 25124 16942 1 25 . 1 1 39 39 VAL C C 39 176.807 176.807 177.920 -1.113 25124 16943 1 25 . 1 1 39 39 VAL CA C 39 65.222 65.222 65.417 -0.195 25124 16944 1 25 . 1 1 39 39 VAL CB C 39 31.078 31.078 31.324 -0.246 25124 16945 1 25 . 1 1 39 39 VAL H H 39 6.844 6.844 7.166 -0.322 25124 16946 1 25 . 1 1 40 40 LEU N N 40 118.385 118.385 120.835 -2.450 25124 16947 1 25 . 1 1 40 40 LEU HA H 40 3.929 3.929 3.890 0.039 25124 16948 1 25 . 1 1 40 40 LEU C C 40 179.584 179.584 178.072 1.512 25124 16949 1 25 . 1 1 40 40 LEU CA C 40 57.943 57.943 57.941 0.002 25124 16950 1 25 . 1 1 40 40 LEU CB C 40 40.932 40.932 40.278 0.654 25124 16951 1 25 . 1 1 40 40 LEU H H 40 7.715 7.715 7.919 -0.204 25124 16952 1 25 . 1 1 41 41 ALA N N 41 120.091 120.091 120.138 -0.047 25124 16953 1 25 . 1 1 41 41 ALA HA H 41 4.158 4.158 3.914 0.244 25124 16954 1 25 . 1 1 41 41 ALA C C 41 180.562 180.562 179.269 1.293 25124 16955 1 25 . 1 1 41 41 ALA CA C 41 54.717 54.717 54.955 -0.238 25124 16956 1 25 . 1 1 41 41 ALA CB C 41 17.853 17.853 17.880 -0.027 25124 16957 1 25 . 1 1 41 41 ALA H H 41 7.671 7.671 7.700 -0.029 25124 16958 1 25 . 1 1 42 42 ALA N N 42 122.650 122.650 120.543 2.107 25124 16959 1 25 . 1 1 42 42 ALA HA H 42 4.221 4.221 4.221 0.000 25124 16960 1 25 . 1 1 42 42 ALA C C 42 180.166 180.166 179.625 0.541 25124 16961 1 25 . 1 1 42 42 ALA CA C 42 54.974 54.974 54.091 0.883 25124 16962 1 25 . 1 1 42 42 ALA CB C 42 19.488 19.488 18.141 1.347 25124 16963 1 25 . 1 1 42 42 ALA H H 42 7.573 7.573 7.023 0.550 25124 16964 1 25 . 1 1 43 43 LEU N N 43 119.321 119.321 119.974 -0.653 25124 16965 1 25 . 1 1 43 43 LEU HA H 43 5.260 5.260 4.683 0.577 25124 16966 1 25 . 1 1 43 43 LEU C C 43 177.389 177.389 179.034 -1.645 25124 16967 1 25 . 1 1 43 43 LEU CA C 43 55.446 55.446 57.763 -2.317 25124 16968 1 25 . 1 1 43 43 LEU CB C 43 42.879 42.879 42.283 0.596 25124 16969 1 25 . 1 1 43 43 LEU H H 43 8.289 8.289 8.308 -0.019 25124 16970 1 25 . 1 1 44 44 ALA N N 44 118.995 118.995 118.679 0.316 25124 16971 1 25 . 1 1 44 44 ALA HA H 44 4.232 4.232 4.084 0.148 25124 16972 1 25 . 1 1 44 44 ALA C C 44 178.738 178.738 178.320 0.418 25124 16973 1 25 . 1 1 44 44 ALA CA C 44 54.353 54.353 54.233 0.120 25124 16974 1 25 . 1 1 44 44 ALA CB C 44 18.674 18.674 19.000 -0.326 25124 16975 1 25 . 1 1 44 44 ALA H H 44 7.307 7.307 7.958 -0.651 25124 16976 1 25 . 1 1 45 45 SER N N 45 108.530 108.530 112.264 -3.734 25124 16977 1 25 . 1 1 45 45 SER HA H 45 4.761 4.761 4.416 0.345 25124 16978 1 25 . 1 1 45 45 SER C C 45 173.344 173.344 175.116 -1.772 25124 16979 1 25 . 1 1 45 45 SER CA C 45 58.682 58.682 60.046 -1.364 25124 16980 1 25 . 1 1 45 45 SER CB C 45 65.446 65.446 63.976 1.470 25124 16981 1 25 . 1 1 45 45 SER H H 45 7.772 7.772 7.958 -0.186 25124 16982 1 25 . 1 1 46 46 LYS N N 46 122.965 122.965 118.866 4.099 25124 16983 1 25 . 1 1 46 46 LYS HA H 46 4.608 4.608 4.585 0.023 25124 16984 1 25 . 1 1 46 46 LYS C C 46 172.815 172.815 174.129 -1.314 25124 16985 1 25 . 1 1 46 46 LYS CA C 46 55.601 55.601 55.495 0.106 25124 16986 1 25 . 1 1 46 46 LYS CB C 46 36.399 36.399 36.507 -0.108 25124 16987 1 25 . 1 1 46 46 LYS H H 46 8.096 8.096 8.359 -0.263 25124 16988 1 25 . 1 1 47 47 THR N N 47 111.524 111.524 113.887 -2.363 25124 16989 1 25 . 1 1 47 47 THR HA H 47 4.307 4.307 4.588 -0.281 25124 16990 1 25 . 1 1 47 47 THR CA C 47 57.896 57.896 58.161 -0.265 25124 16991 1 25 . 1 1 47 47 THR CB C 47 70.570 70.570 69.251 1.319 25124 16992 1 25 . 1 1 47 47 THR H H 47 7.708 7.708 7.976 -0.268 25124 16993 1 25 . 1 1 48 48 PRO HA H 48 3.944 3.944 4.122 -0.178 25124 16994 1 25 . 1 1 48 48 PRO C C 48 173.079 173.079 175.537 -2.458 25124 16995 1 25 . 1 1 48 48 PRO CA C 48 60.922 60.922 62.255 -1.333 25124 16996 1 25 . 1 1 48 48 PRO CB C 48 30.353 30.353 32.165 -1.812 25124 16997 1 25 . 1 1 49 49 ASP N N 49 115.001 115.001 119.365 -4.364 25124 16998 1 25 . 1 1 49 49 ASP HA H 49 4.460 4.460 4.688 -0.228 25124 16999 1 25 . 1 1 49 49 ASP C C 49 175.591 175.591 176.260 -0.669 25124 17000 1 25 . 1 1 49 49 ASP CA C 49 56.504 56.504 55.754 0.750 25124 17001 1 25 . 1 1 49 49 ASP CB C 49 42.625 42.625 42.869 -0.244 25124 17002 1 25 . 1 1 49 49 ASP H H 49 8.535 8.535 7.992 0.543 25124 17003 1 25 . 1 1 50 50 VAL N N 50 111.832 111.832 118.813 -6.981 25124 17004 1 25 . 1 1 50 50 VAL HA H 50 4.316 4.316 4.468 -0.152 25124 17005 1 25 . 1 1 50 50 VAL C C 50 171.572 171.572 173.577 -2.005 25124 17006 1 25 . 1 1 50 50 VAL CA C 50 60.398 60.398 61.721 -1.323 25124 17007 1 25 . 1 1 50 50 VAL CB C 50 34.650 34.650 34.741 -0.091 25124 17008 1 25 . 1 1 50 50 VAL H H 50 7.194 7.194 7.200 -0.006 25124 17009 1 25 . 1 1 51 51 LEU N N 51 127.785 127.785 127.931 -0.146 25124 17010 1 25 . 1 1 51 51 LEU HA H 51 5.376 5.376 5.550 -0.174 25124 17011 1 25 . 1 1 51 51 LEU C C 51 173.264 173.264 174.657 -1.393 25124 17012 1 25 . 1 1 51 51 LEU CA C 51 53.137 53.137 52.886 0.251 25124 17013 1 25 . 1 1 51 51 LEU CB C 51 46.680 46.680 45.953 0.727 25124 17014 1 25 . 1 1 51 51 LEU H H 51 8.049 8.049 8.486 -0.437 25124 17015 1 25 . 1 1 52 52 LEU N N 52 128.943 128.943 125.191 3.752 25124 17016 1 25 . 1 1 52 52 LEU HA H 52 5.312 5.312 5.253 0.059 25124 17017 1 25 . 1 1 52 52 LEU C C 52 174.692 174.692 175.760 -1.068 25124 17018 1 25 . 1 1 52 52 LEU CA C 52 54.313 54.313 53.915 0.398 25124 17019 1 25 . 1 1 52 52 LEU CB C 52 43.961 43.961 43.567 0.394 25124 17020 1 25 . 1 1 52 52 LEU H H 52 9.278 9.278 9.175 0.103 25124 17021 1 25 . 1 1 53 53 SER N N 53 116.717 116.717 117.859 -1.142 25124 17022 1 25 . 1 1 53 53 SER HA H 53 5.395 5.395 5.323 0.072 25124 17023 1 25 . 1 1 53 53 SER C C 53 173.608 173.608 173.710 -0.102 25124 17024 1 25 . 1 1 53 53 SER CA C 53 56.226 56.226 56.185 0.041 25124 17025 1 25 . 1 1 53 53 SER CB C 53 65.753 65.753 66.414 -0.661 25124 17026 1 25 . 1 1 53 53 SER H H 53 9.256 9.256 8.281 0.975 25124 17027 1 25 . 1 1 54 54 ASP N N 54 127.909 127.909 122.894 5.015 25124 17028 1 25 . 1 1 54 54 ASP HA H 54 5.622 5.622 5.259 0.363 25124 17029 1 25 . 1 1 54 54 ASP C C 54 175.723 175.723 176.172 -0.449 25124 17030 1 25 . 1 1 54 54 ASP CA C 54 53.268 53.268 53.373 -0.105 25124 17031 1 25 . 1 1 54 54 ASP CB C 54 44.386 44.386 44.058 0.328 25124 17032 1 25 . 1 1 54 54 ASP H H 54 8.219 8.219 8.001 0.218 25124 17033 1 25 . 1 1 55 55 ILE N N 55 117.015 117.015 115.830 1.185 25124 17034 1 25 . 1 1 55 55 ILE HA H 55 4.116 4.116 4.588 -0.472 25124 17035 1 25 . 1 1 55 55 ILE C C 55 176.913 176.913 175.013 1.900 25124 17036 1 25 . 1 1 55 55 ILE CA C 55 65.290 65.290 59.890 5.400 25124 17037 1 25 . 1 1 55 55 ILE CB C 55 38.487 38.487 36.298 2.189 25124 17038 1 25 . 1 1 55 55 ILE H H 55 7.812 7.812 8.623 -0.811 25124 17039 1 25 . 1 1 56 56 ARG N N 56 117.365 117.365 117.967 -0.602 25124 17040 1 25 . 1 1 56 56 ARG HA H 56 4.379 4.379 4.484 -0.105 25124 17041 1 25 . 1 1 56 56 ARG C C 56 172.788 172.788 174.984 -2.196 25124 17042 1 25 . 1 1 56 56 ARG CA C 56 57.034 57.034 55.492 1.542 25124 17043 1 25 . 1 1 56 56 ARG CB C 56 27.600 27.600 30.240 -2.640 25124 17044 1 25 . 1 1 56 56 ARG H H 56 8.991 8.991 7.768 1.223 25124 17045 1 25 . 1 1 57 57 MET N N 57 129.539 129.539 121.084 8.455 25124 17046 1 25 . 1 1 57 57 MET HA H 57 4.767 4.767 4.734 0.033 25124 17047 1 25 . 1 1 57 57 MET CA C 57 53.641 53.641 53.704 -0.063 25124 17048 1 25 . 1 1 57 57 MET CB C 57 36.484 36.484 32.570 3.914 25124 17049 1 25 . 1 1 57 57 MET H H 57 7.501 7.501 8.108 -0.607 25124 17050 1 25 . 1 1 58 58 PRO HA H 58 4.379 4.379 4.381 -0.002 25124 17051 1 25 . 1 1 58 58 PRO C C 58 177.495 177.495 177.868 -0.373 25124 17052 1 25 . 1 1 58 58 PRO CA C 58 63.104 63.104 64.016 -0.912 25124 17053 1 25 . 1 1 58 58 PRO CB C 58 31.922 31.922 32.038 -0.116 25124 17054 1 25 . 1 1 59 59 GLY N N 59 112.312 112.312 107.843 4.469 25124 17055 1 25 . 1 1 59 59 GLY C C 59 173.793 173.793 174.817 -1.024 25124 17056 1 25 . 1 1 59 59 GLY CA C 59 46.430 46.430 46.427 0.003 25124 17057 1 25 . 1 1 59 59 GLY H H 59 8.656 8.656 8.590 0.066 25124 17058 1 25 . 1 1 60 60 MET N N 60 124.343 124.343 118.551 5.792 25124 17059 1 25 . 1 1 60 60 MET HA H 60 4.344 4.344 4.563 -0.219 25124 17060 1 25 . 1 1 60 60 MET C C 60 174.190 174.190 174.904 -0.714 25124 17061 1 25 . 1 1 60 60 MET CA C 60 55.871 55.871 55.895 -0.024 25124 17062 1 25 . 1 1 60 60 MET CB C 60 34.955 34.955 34.163 0.792 25124 17063 1 25 . 1 1 60 60 MET H H 60 7.778 7.778 8.095 -0.317 25124 17064 1 25 . 1 1 61 61 ASP N N 61 124.993 124.993 114.947 10.046 25124 17065 1 25 . 1 1 61 61 ASP HA H 61 4.870 4.870 4.798 0.072 25124 17066 1 25 . 1 1 61 61 ASP C C 61 176.966 176.966 175.397 1.569 25124 17067 1 25 . 1 1 61 61 ASP CA C 61 53.490 53.490 53.890 -0.400 25124 17068 1 25 . 1 1 61 61 ASP CB C 61 42.347 42.347 42.982 -0.635 25124 17069 1 25 . 1 1 61 61 ASP H H 61 8.378 8.378 7.647 0.731 25124 17070 1 25 . 1 1 62 62 GLY N N 62 105.163 105.163 107.370 -2.207 25124 17071 1 25 . 1 1 62 62 GLY C C 62 175.935 175.935 175.974 -0.039 25124 17072 1 25 . 1 1 62 62 GLY CA C 62 46.755 46.755 45.737 1.018 25124 17073 1 25 . 1 1 62 62 GLY H H 62 10.153 10.153 8.315 1.838 25124 17074 1 25 . 1 1 63 63 LEU N N 63 120.509 120.509 121.545 -1.036 25124 17075 1 25 . 1 1 63 63 LEU HA H 63 4.293 4.293 4.051 0.242 25124 17076 1 25 . 1 1 63 63 LEU C C 63 179.293 179.293 178.882 0.411 25124 17077 1 25 . 1 1 63 63 LEU CA C 63 57.148 57.148 57.462 -0.314 25124 17078 1 25 . 1 1 63 63 LEU CB C 63 40.053 40.053 41.652 -1.599 25124 17079 1 25 . 1 1 63 63 LEU H H 63 8.119 8.119 8.080 0.039 25124 17080 1 25 . 1 1 64 64 ALA N N 64 126.234 126.234 121.225 5.009 25124 17081 1 25 . 1 1 64 64 ALA HA H 64 4.112 4.112 4.110 0.002 25124 17082 1 25 . 1 1 64 64 ALA C C 64 181.223 181.223 178.834 2.389 25124 17083 1 25 . 1 1 64 64 ALA CA C 64 54.802 54.802 54.805 -0.003 25124 17084 1 25 . 1 1 64 64 ALA CB C 64 18.133 18.133 17.931 0.202 25124 17085 1 25 . 1 1 64 64 ALA H H 64 8.303 8.303 8.025 0.278 25124 17086 1 25 . 1 1 65 65 LEU N N 65 120.067 120.067 117.885 2.182 25124 17087 1 25 . 1 1 65 65 LEU HA H 65 4.044 4.044 4.214 -0.170 25124 17088 1 25 . 1 1 65 65 LEU C C 65 177.548 177.548 178.461 -0.913 25124 17089 1 25 . 1 1 65 65 LEU CA C 65 58.197 58.197 57.033 1.164 25124 17090 1 25 . 1 1 65 65 LEU CB C 65 41.727 41.727 42.390 -0.663 25124 17091 1 25 . 1 1 65 65 LEU H H 65 8.398 8.398 7.468 0.930 25124 17092 1 25 . 1 1 66 66 LEU N N 66 120.890 120.890 119.708 1.182 25124 17093 1 25 . 1 1 66 66 LEU HA H 66 3.848 3.848 3.967 -0.119 25124 17094 1 25 . 1 1 66 66 LEU C C 66 177.230 177.230 178.484 -1.254 25124 17095 1 25 . 1 1 66 66 LEU CA C 66 58.736 58.736 57.487 1.249 25124 17096 1 25 . 1 1 66 66 LEU CB C 66 41.803 41.803 41.846 -0.043 25124 17097 1 25 . 1 1 66 66 LEU H H 66 8.203 8.203 7.992 0.211 25124 17098 1 25 . 1 1 67 67 LYS N N 67 116.919 116.919 118.173 -1.254 25124 17099 1 25 . 1 1 67 67 LYS HA H 67 4.004 4.004 3.954 0.051 25124 17100 1 25 . 1 1 67 67 LYS C C 67 179.452 179.452 178.626 0.826 25124 17101 1 25 . 1 1 67 67 LYS CA C 67 59.733 59.733 58.756 0.977 25124 17102 1 25 . 1 1 67 67 LYS CB C 67 32.415 32.415 32.122 0.293 25124 17103 1 25 . 1 1 67 67 LYS H H 67 7.667 7.667 8.142 -0.475 25124 17104 1 25 . 1 1 68 68 GLN N N 68 116.851 116.851 118.856 -2.005 25124 17105 1 25 . 1 1 68 68 GLN HA H 68 4.046 4.046 4.063 -0.017 25124 17106 1 25 . 1 1 68 68 GLN C C 68 179.319 179.319 178.206 1.113 25124 17107 1 25 . 1 1 68 68 GLN CA C 68 58.820 58.820 58.941 -0.120 25124 17108 1 25 . 1 1 68 68 GLN CB C 68 28.660 28.660 29.112 -0.452 25124 17109 1 25 . 1 1 68 68 GLN H H 68 7.677 7.677 7.532 0.145 25124 17110 1 25 . 1 1 69 69 ILE N N 69 120.670 120.670 115.969 4.701 25124 17111 1 25 . 1 1 69 69 ILE HA H 69 3.564 3.564 3.262 0.302 25124 17112 1 25 . 1 1 69 69 ILE C C 69 177.786 177.786 178.101 -0.315 25124 17113 1 25 . 1 1 69 69 ILE CA C 69 65.381 65.381 63.937 1.444 25124 17114 1 25 . 1 1 69 69 ILE CB C 69 37.186 37.186 36.910 0.276 25124 17115 1 25 . 1 1 69 69 ILE H H 69 8.918 8.918 7.458 1.460 25124 17116 1 25 . 1 1 70 70 LYS N N 70 118.002 118.002 119.266 -1.264 25124 17117 1 25 . 1 1 70 70 LYS HA H 70 3.936 3.936 3.944 -0.008 25124 17118 1 25 . 1 1 70 70 LYS C C 70 177.944 177.944 178.064 -0.120 25124 17119 1 25 . 1 1 70 70 LYS CA C 70 57.351 57.351 58.745 -1.394 25124 17120 1 25 . 1 1 70 70 LYS CB C 70 31.440 31.440 32.053 -0.613 25124 17121 1 25 . 1 1 70 70 LYS H H 70 8.592 8.592 7.488 1.104 25124 17122 1 25 . 1 1 71 71 GLN N N 71 114.891 114.891 115.287 -0.396 25124 17123 1 25 . 1 1 71 71 GLN HA H 71 4.063 4.063 4.253 -0.190 25124 17124 1 25 . 1 1 71 71 GLN C C 71 177.019 177.019 177.548 -0.529 25124 17125 1 25 . 1 1 71 71 GLN CA C 71 58.007 58.007 56.498 1.509 25124 17126 1 25 . 1 1 71 71 GLN CB C 71 29.168 29.168 29.172 -0.004 25124 17127 1 25 . 1 1 71 71 GLN H H 71 7.266 7.266 7.614 -0.348 25124 17128 1 25 . 1 1 72 72 ARG N N 72 116.364 116.364 120.583 -4.219 25124 17129 1 25 . 1 1 72 72 ARG HA H 72 4.130 4.130 4.264 -0.134 25124 17130 1 25 . 1 1 72 72 ARG C C 72 175.803 175.803 176.649 -0.846 25124 17131 1 25 . 1 1 72 72 ARG CA C 72 57.174 57.174 57.394 -0.220 25124 17132 1 25 . 1 1 72 72 ARG CB C 72 32.638 32.638 31.268 1.370 25124 17133 1 25 . 1 1 72 72 ARG H H 72 7.254 7.254 8.267 -1.013 25124 17134 1 25 . 1 1 73 73 HIS N N 73 116.981 116.981 112.173 4.808 25124 17135 1 25 . 1 1 73 73 HIS HA H 73 4.994 4.994 4.935 0.059 25124 17136 1 25 . 1 1 73 73 HIS CA C 73 53.252 53.252 52.936 0.316 25124 17137 1 25 . 1 1 73 73 HIS CB C 73 31.026 31.026 29.523 1.502 25124 17138 1 25 . 1 1 73 73 HIS H H 73 8.828 8.828 7.540 1.288 25124 17139 1 25 . 1 1 74 74 PRO HA H 74 4.435 4.435 4.294 0.141 25124 17140 1 25 . 1 1 74 74 PRO C C 74 178.156 178.156 176.689 1.467 25124 17141 1 25 . 1 1 74 74 PRO CA C 74 65.284 65.284 63.765 1.519 25124 17142 1 25 . 1 1 74 74 PRO CB C 74 32.130 32.130 32.032 0.098 25124 17143 1 25 . 1 1 75 75 MET N N 75 114.676 114.676 118.092 -3.416 25124 17144 1 25 . 1 1 75 75 MET HA H 75 4.587 4.587 4.527 0.060 25124 17145 1 25 . 1 1 75 75 MET C C 75 176.067 176.067 175.020 1.047 25124 17146 1 25 . 1 1 75 75 MET CA C 75 54.304 54.304 55.279 -0.975 25124 17147 1 25 . 1 1 75 75 MET CB C 75 31.623 31.623 32.465 -0.842 25124 17148 1 25 . 1 1 75 75 MET H H 75 8.648 8.648 7.926 0.722 25124 17149 1 25 . 1 1 76 76 LEU N N 76 125.720 125.720 118.775 6.945 25124 17150 1 25 . 1 1 76 76 LEU HA H 76 4.293 4.293 4.886 -0.593 25124 17151 1 25 . 1 1 76 76 LEU CA C 76 53.472 53.472 51.643 1.829 25124 17152 1 25 . 1 1 76 76 LEU CB C 76 43.540 43.540 43.791 -0.251 25124 17153 1 25 . 1 1 76 76 LEU H H 76 7.342 7.342 7.309 0.033 25124 17154 1 25 . 1 1 77 77 PRO HA H 77 4.440 4.440 4.521 -0.081 25124 17155 1 25 . 1 1 77 77 PRO C C 77 175.062 175.062 175.243 -0.181 25124 17156 1 25 . 1 1 77 77 PRO CA C 77 62.841 62.841 62.630 0.211 25124 17157 1 25 . 1 1 77 77 PRO CB C 77 31.903 31.903 32.544 -0.641 25124 17158 1 25 . 1 1 78 78 VAL N N 78 123.116 123.116 122.059 1.057 25124 17159 1 25 . 1 1 78 78 VAL HA H 78 5.093 5.093 4.351 0.742 25124 17160 1 25 . 1 1 78 78 VAL C C 78 175.776 175.776 174.431 1.345 25124 17161 1 25 . 1 1 78 78 VAL CA C 78 60.083 60.083 61.236 -1.153 25124 17162 1 25 . 1 1 78 78 VAL CB C 78 34.245 34.245 35.630 -1.385 25124 17163 1 25 . 1 1 78 78 VAL H H 78 8.369 8.369 8.392 -0.023 25124 17164 1 25 . 1 1 79 79 ILE N N 79 129.166 129.166 123.766 5.400 25124 17165 1 25 . 1 1 79 79 ILE HA H 79 4.499 4.499 4.474 0.025 25124 17166 1 25 . 1 1 79 79 ILE C C 79 174.295 174.295 174.954 -0.659 25124 17167 1 25 . 1 1 79 79 ILE CA C 79 60.030 60.030 60.398 -0.368 25124 17168 1 25 . 1 1 79 79 ILE CB C 79 40.222 40.222 40.690 -0.468 25124 17169 1 25 . 1 1 79 79 ILE H H 79 9.436 9.436 7.778 1.658 25124 17170 1 25 . 1 1 80 80 ILE N N 80 128.234 128.234 127.076 1.158 25124 17171 1 25 . 1 1 80 80 ILE HA H 80 5.253 5.253 4.402 0.851 25124 17172 1 25 . 1 1 80 80 ILE C C 80 173.449 173.449 174.939 -1.490 25124 17173 1 25 . 1 1 80 80 ILE CA C 80 56.265 56.265 59.205 -2.940 25124 17174 1 25 . 1 1 80 80 ILE CB C 80 38.176 38.176 38.042 0.133 25124 17175 1 25 . 1 1 80 80 ILE H H 80 7.920 7.920 8.086 -0.166 25124 17176 1 25 . 1 1 81 81 MET N N 81 124.079 124.079 125.326 -1.247 25124 17177 1 25 . 1 1 81 81 MET HA H 81 5.489 5.489 4.626 0.863 25124 17178 1 25 . 1 1 81 81 MET C C 81 173.820 173.820 174.170 -0.350 25124 17179 1 25 . 1 1 81 81 MET CA C 81 52.889 52.889 54.721 -1.832 25124 17180 1 25 . 1 1 81 81 MET CB C 81 36.663 36.663 36.051 0.612 25124 17181 1 25 . 1 1 81 81 MET H H 81 9.028 9.028 8.216 0.812 25124 17182 1 25 . 1 1 82 82 THR N N 82 108.434 108.434 116.148 -7.714 25124 17183 1 25 . 1 1 82 82 THR HA H 82 5.134 5.134 4.748 0.386 25124 17184 1 25 . 1 1 82 82 THR C C 82 172.550 172.550 172.447 0.103 25124 17185 1 25 . 1 1 82 82 THR CA C 82 60.642 60.642 61.029 -0.387 25124 17186 1 25 . 1 1 82 82 THR CB C 82 68.843 68.843 70.450 -1.607 25124 17187 1 25 . 1 1 82 82 THR H H 82 7.098 7.098 8.029 -0.931 25124 17188 1 25 . 1 1 83 83 ALA N N 83 128.991 128.991 123.601 5.390 25124 17189 1 25 . 1 1 83 83 ALA HA H 83 4.678 4.678 4.823 -0.145 25124 17190 1 25 . 1 1 83 83 ALA C C 83 177.812 177.812 177.155 0.657 25124 17191 1 25 . 1 1 83 83 ALA CA C 83 52.457 52.457 50.543 1.914 25124 17192 1 25 . 1 1 83 83 ALA CB C 83 19.396 19.396 21.096 -1.700 25124 17193 1 25 . 1 1 83 83 ALA H H 83 8.590 8.590 8.458 0.132 25124 17194 1 25 . 1 1 84 84 HIS N N 84 121.904 121.904 115.944 5.960 25124 17195 1 25 . 1 1 84 84 HIS HA H 84 4.576 4.576 4.246 0.330 25124 17196 1 25 . 1 1 84 84 HIS C C 84 175.512 175.512 175.730 -0.218 25124 17197 1 25 . 1 1 84 84 HIS CA C 84 56.674 56.674 57.588 -0.914 25124 17198 1 25 . 1 1 84 84 HIS CB C 84 29.589 29.589 29.576 0.014 25124 17199 1 25 . 1 1 84 84 HIS H H 84 8.865 8.865 8.915 -0.050 25124 17200 1 25 . 1 1 85 85 SER N N 85 114.679 114.679 116.372 -1.693 25124 17201 1 25 . 1 1 85 85 SER HA H 85 4.303 4.303 3.993 0.310 25124 17202 1 25 . 1 1 85 85 SER C C 85 174.560 174.560 174.367 0.193 25124 17203 1 25 . 1 1 85 85 SER CA C 85 58.970 58.970 59.524 -0.554 25124 17204 1 25 . 1 1 85 85 SER CB C 85 62.829 62.829 62.884 -0.055 25124 17205 1 25 . 1 1 85 85 SER H H 85 8.016 8.016 7.727 0.289 25124 17206 1 25 . 1 1 86 86 ASP N N 86 122.325 122.325 124.624 -2.299 25124 17207 1 25 . 1 1 86 86 ASP HA H 86 4.761 4.761 4.302 0.459 25124 17208 1 25 . 1 1 86 86 ASP C C 86 176.094 176.094 177.064 -0.970 25124 17209 1 25 . 1 1 86 86 ASP CA C 86 53.627 53.627 55.538 -1.911 25124 17210 1 25 . 1 1 86 86 ASP CB C 86 40.942 40.942 40.736 0.206 25124 17211 1 25 . 1 1 86 86 ASP H H 86 8.054 8.054 8.682 -0.628 25124 17212 1 25 . 1 1 87 87 LEU N N 87 122.041 122.041 120.400 1.641 25124 17213 1 25 . 1 1 87 87 LEU HA H 87 4.069 4.069 4.040 0.029 25124 17214 1 25 . 1 1 87 87 LEU C C 87 177.892 177.892 177.352 0.540 25124 17215 1 25 . 1 1 87 87 LEU CA C 87 57.182 57.182 56.981 0.201 25124 17216 1 25 . 1 1 87 87 LEU CB C 87 42.015 42.015 41.712 0.303 25124 17217 1 25 . 1 1 87 87 LEU H H 87 8.005 8.005 7.868 0.137 25124 17218 1 25 . 1 1 88 88 ASP N N 88 118.050 118.050 120.147 -2.097 25124 17219 1 25 . 1 1 88 88 ASP HA H 88 4.370 4.370 4.188 0.182 25124 17220 1 25 . 1 1 88 88 ASP C C 88 178.103 178.103 177.415 0.688 25124 17221 1 25 . 1 1 88 88 ASP CA C 88 56.342 56.342 57.147 -0.805 25124 17222 1 25 . 1 1 88 88 ASP CB C 88 40.280 40.280 40.413 -0.133 25124 17223 1 25 . 1 1 88 88 ASP H H 88 8.243 8.243 8.535 -0.292 25124 17224 1 25 . 1 1 89 89 ALA N N 89 122.780 122.780 121.529 1.251 25124 17225 1 25 . 1 1 89 89 ALA HA H 89 4.038 4.038 3.851 0.187 25124 17226 1 25 . 1 1 89 89 ALA C C 89 178.526 178.526 178.897 -0.371 25124 17227 1 25 . 1 1 89 89 ALA CA C 89 54.655 54.655 54.566 0.088 25124 17228 1 25 . 1 1 89 89 ALA CB C 89 18.809 18.809 18.423 0.386 25124 17229 1 25 . 1 1 89 89 ALA H H 89 7.890 7.890 7.523 0.367 25124 17230 1 25 . 1 1 90 90 ALA N N 90 120.040 120.040 120.929 -0.889 25124 17231 1 25 . 1 1 90 90 ALA HA H 90 3.254 3.254 3.606 -0.352 25124 17232 1 25 . 1 1 90 90 ALA C C 90 178.976 178.976 178.780 0.196 25124 17233 1 25 . 1 1 90 90 ALA CA C 90 55.050 55.050 54.725 0.325 25124 17234 1 25 . 1 1 90 90 ALA CB C 90 17.725 17.725 17.910 -0.185 25124 17235 1 25 . 1 1 90 90 ALA H H 90 7.513 7.513 7.862 -0.349 25124 17236 1 25 . 1 1 91 91 VAL N N 91 116.635 116.635 118.605 -1.970 25124 17237 1 25 . 1 1 91 91 VAL HA H 91 3.637 3.637 3.591 0.046 25124 17238 1 25 . 1 1 91 91 VAL C C 91 178.632 178.632 178.186 0.446 25124 17239 1 25 . 1 1 91 91 VAL CA C 91 65.971 65.971 66.485 -0.514 25124 17240 1 25 . 1 1 91 91 VAL CB C 91 31.623 31.623 30.931 0.692 25124 17241 1 25 . 1 1 91 91 VAL H H 91 7.877 7.877 7.481 0.396 25124 17242 1 25 . 1 1 92 92 SER N N 92 115.439 115.439 114.882 0.557 25124 17243 1 25 . 1 1 92 92 SER HA H 92 4.215 4.215 4.072 0.143 25124 17244 1 25 . 1 1 92 92 SER C C 92 175.961 175.961 176.624 -0.663 25124 17245 1 25 . 1 1 92 92 SER CA C 92 61.401 61.401 61.653 -0.251 25124 17246 1 25 . 1 1 92 92 SER CB C 92 62.966 62.966 62.925 0.041 25124 17247 1 25 . 1 1 92 92 SER H H 92 7.912 7.912 7.593 0.319 25124 17248 1 25 . 1 1 93 93 ALA N N 93 122.647 122.647 124.002 -1.355 25124 17249 1 25 . 1 1 93 93 ALA HA H 93 3.786 3.786 4.007 -0.221 25124 17250 1 25 . 1 1 93 93 ALA C C 93 179.293 179.293 179.964 -0.671 25124 17251 1 25 . 1 1 93 93 ALA CA C 93 55.172 55.172 54.950 0.222 25124 17252 1 25 . 1 1 93 93 ALA CB C 93 17.161 17.161 17.877 -0.716 25124 17253 1 25 . 1 1 93 93 ALA H H 93 8.199 8.199 7.450 0.749 25124 17254 1 25 . 1 1 94 94 TYR N N 94 117.796 117.796 118.146 -0.350 25124 17255 1 25 . 1 1 94 94 TYR HA H 94 4.283 4.283 4.087 0.196 25124 17256 1 25 . 1 1 94 94 TYR C C 94 179.954 179.954 178.671 1.283 25124 17257 1 25 . 1 1 94 94 TYR CA C 94 61.216 61.216 60.135 1.081 25124 17258 1 25 . 1 1 94 94 TYR CB C 94 37.716 37.716 37.483 0.233 25124 17259 1 25 . 1 1 94 94 TYR H H 94 8.065 8.065 7.318 0.747 25124 17260 1 25 . 1 1 95 95 GLN N N 95 120.057 120.057 116.632 3.425 25124 17261 1 25 . 1 1 95 95 GLN HA H 95 4.005 4.005 4.064 -0.059 25124 17262 1 25 . 1 1 95 95 GLN C C 95 177.680 177.680 178.271 -0.591 25124 17263 1 25 . 1 1 95 95 GLN CA C 95 58.471 58.471 58.029 0.443 25124 17264 1 25 . 1 1 95 95 GLN CB C 95 28.334 28.334 28.524 -0.190 25124 17265 1 25 . 1 1 95 95 GLN H H 95 8.513 8.513 7.729 0.784 25124 17266 1 25 . 1 1 96 96 GLN N N 96 115.323 115.323 117.043 -1.720 25124 17267 1 25 . 1 1 96 96 GLN HA H 96 4.321 4.321 4.284 0.037 25124 17268 1 25 . 1 1 96 96 GLN C C 96 175.538 175.538 176.069 -0.531 25124 17269 1 25 . 1 1 96 96 GLN CA C 96 55.379 55.379 56.339 -0.960 25124 17270 1 25 . 1 1 96 96 GLN CB C 96 28.915 28.915 29.936 -1.021 25124 17271 1 25 . 1 1 96 96 GLN H H 96 7.774 7.774 7.731 0.043 25124 17272 1 25 . 1 1 97 97 GLY N N 97 104.173 104.173 105.197 -1.024 25124 17273 1 25 . 1 1 97 97 GLY C C 97 175.168 175.168 173.247 1.921 25124 17274 1 25 . 1 1 97 97 GLY CA C 97 45.491 45.491 44.671 0.820 25124 17275 1 25 . 1 1 97 97 GLY H H 97 7.576 7.576 7.827 -0.251 25124 17276 1 25 . 1 1 98 98 ALA N N 98 123.484 123.484 121.393 2.091 25124 17277 1 25 . 1 1 98 98 ALA HA H 98 4.266 4.266 4.494 -0.228 25124 17278 1 25 . 1 1 98 98 ALA C C 98 176.067 176.067 176.598 -0.531 25124 17279 1 25 . 1 1 98 98 ALA CA C 98 53.008 53.008 51.960 1.048 25124 17280 1 25 . 1 1 98 98 ALA CB C 98 18.556 18.556 20.084 -1.528 25124 17281 1 25 . 1 1 98 98 ALA H H 98 8.358 8.358 7.641 0.717 25124 17282 1 25 . 1 1 99 99 PHE N N 99 123.551 123.551 121.126 2.425 25124 17283 1 25 . 1 1 99 99 PHE HA H 99 4.259 4.259 4.690 -0.431 25124 17284 1 25 . 1 1 99 99 PHE C C 99 175.432 175.432 175.633 -0.201 25124 17285 1 25 . 1 1 99 99 PHE CA C 99 60.274 60.274 59.709 0.565 25124 17286 1 25 . 1 1 99 99 PHE CB C 99 40.375 40.375 40.914 -0.539 25124 17287 1 25 . 1 1 99 99 PHE H H 99 9.477 9.477 8.835 0.642 25124 17288 1 25 . 1 1 100 100 ASP N N 100 110.678 110.678 115.054 -4.376 25124 17289 1 25 . 1 1 100 100 ASP HA H 100 4.547 4.547 4.976 -0.429 25124 17290 1 25 . 1 1 100 100 ASP C C 100 173.053 173.053 173.713 -0.660 25124 17291 1 25 . 1 1 100 100 ASP CA C 100 52.527 52.527 54.041 -1.514 25124 17292 1 25 . 1 1 100 100 ASP CB C 100 44.789 44.789 43.676 1.113 25124 17293 1 25 . 1 1 100 100 ASP H H 100 7.683 7.683 8.095 -0.412 25124 17294 1 25 . 1 1 101 101 TYR N N 101 122.174 122.174 121.620 0.554 25124 17295 1 25 . 1 1 101 101 TYR HA H 101 5.425 5.425 5.551 -0.126 25124 17296 1 25 . 1 1 101 101 TYR C C 101 172.550 172.550 174.405 -1.855 25124 17297 1 25 . 1 1 101 101 TYR CA C 101 55.865 55.865 56.141 -0.276 25124 17298 1 25 . 1 1 101 101 TYR CB C 101 41.760 41.760 39.988 1.772 25124 17299 1 25 . 1 1 101 101 TYR H H 101 9.874 9.874 8.623 1.251 25124 17300 1 25 . 1 1 102 102 LEU N N 102 129.337 129.337 129.533 -0.196 25124 17301 1 25 . 1 1 102 102 LEU HA H 102 4.677 4.677 4.734 -0.057 25124 17302 1 25 . 1 1 102 102 LEU CA C 102 50.418 50.418 50.814 -0.396 25124 17303 1 25 . 1 1 102 102 LEU CB C 102 45.066 45.066 43.647 1.419 25124 17304 1 25 . 1 1 102 102 LEU H H 102 8.974 8.974 8.305 0.669 25124 17305 1 25 . 1 1 103 103 PRO HA H 103 4.552 4.552 4.456 0.096 25124 17306 1 25 . 1 1 103 103 PRO C C 103 176.067 176.067 176.266 -0.199 25124 17307 1 25 . 1 1 103 103 PRO CA C 103 61.951 61.951 62.089 -0.138 25124 17308 1 25 . 1 1 103 103 PRO CB C 103 31.829 31.829 32.144 -0.315 25124 17309 1 25 . 1 1 104 104 LYS N N 104 118.403 118.403 125.077 -6.674 25124 17310 1 25 . 1 1 104 104 LYS HA H 104 4.459 4.459 4.836 -0.377 25124 17311 1 25 . 1 1 104 104 LYS CA C 104 53.204 53.204 54.586 -1.382 25124 17312 1 25 . 1 1 104 104 LYS CB C 104 34.500 34.500 31.265 3.235 25124 17313 1 25 . 1 1 104 104 LYS H H 104 8.013 8.013 8.145 -0.132 25124 17314 1 25 . 1 1 105 105 PRO HA H 105 4.258 4.258 4.460 -0.202 25124 17315 1 25 . 1 1 105 105 PRO C C 105 174.930 174.930 175.862 -0.932 25124 17316 1 25 . 1 1 105 105 PRO CA C 105 62.213 62.213 63.172 -0.959 25124 17317 1 25 . 1 1 105 105 PRO CB C 105 34.151 34.151 31.985 2.167 25124 17318 1 25 . 1 1 106 106 PHE N N 106 116.796 116.796 118.771 -1.975 25124 17319 1 25 . 1 1 106 106 PHE HA H 106 5.169 5.169 4.814 0.355 25124 17320 1 25 . 1 1 106 106 PHE C C 106 175.194 175.194 174.692 0.502 25124 17321 1 25 . 1 1 106 106 PHE CA C 106 53.244 53.244 55.576 -2.332 25124 17322 1 25 . 1 1 106 106 PHE CB C 106 40.477 40.477 41.201 -0.724 25124 17323 1 25 . 1 1 106 106 PHE H H 106 7.399 7.399 7.552 -0.153 25124 17324 1 25 . 1 1 107 107 ASP N N 107 122.212 122.212 124.472 -2.260 25124 17325 1 25 . 1 1 107 107 ASP HA H 107 4.823 4.823 4.772 0.051 25124 17326 1 25 . 1 1 107 107 ASP C C 107 177.812 177.812 177.631 0.181 25124 17327 1 25 . 1 1 107 107 ASP CA C 107 53.392 53.392 53.323 0.069 25124 17328 1 25 . 1 1 107 107 ASP CB C 107 42.455 42.455 41.105 1.350 25124 17329 1 25 . 1 1 107 107 ASP H H 107 9.047 9.047 8.630 0.417 25124 17330 1 25 . 1 1 108 108 ILE N N 108 127.963 127.963 122.757 5.206 25124 17331 1 25 . 1 1 108 108 ILE HA H 108 3.949 3.949 3.869 0.080 25124 17332 1 25 . 1 1 108 108 ILE C C 108 176.226 176.226 177.010 -0.784 25124 17333 1 25 . 1 1 108 108 ILE CA C 108 63.105 63.105 64.056 -0.951 25124 17334 1 25 . 1 1 108 108 ILE CB C 108 37.665 37.665 37.097 0.568 25124 17335 1 25 . 1 1 108 108 ILE H H 108 8.898 8.898 8.434 0.464 25124 17336 1 25 . 1 1 109 109 ASP N N 109 119.804 119.804 120.470 -0.666 25124 17337 1 25 . 1 1 109 109 ASP HA H 109 4.393 4.393 4.328 0.065 25124 17338 1 25 . 1 1 109 109 ASP C C 109 179.848 179.848 178.999 0.849 25124 17339 1 25 . 1 1 109 109 ASP CA C 109 57.483 57.483 57.988 -0.505 25124 17340 1 25 . 1 1 109 109 ASP CB C 109 39.986 39.986 40.206 -0.220 25124 17341 1 25 . 1 1 109 109 ASP H H 109 8.098 8.098 8.581 -0.483 25124 17342 1 25 . 1 1 110 110 GLU N N 110 121.667 121.667 118.817 2.850 25124 17343 1 25 . 1 1 110 110 GLU HA H 110 4.085 4.085 4.291 -0.206 25124 17344 1 25 . 1 1 110 110 GLU C C 110 178.976 178.976 178.272 0.704 25124 17345 1 25 . 1 1 110 110 GLU CA C 110 58.790 58.790 58.080 0.710 25124 17346 1 25 . 1 1 110 110 GLU CB C 110 29.330 29.330 29.998 -0.668 25124 17347 1 25 . 1 1 110 110 GLU H H 110 8.059 8.059 8.105 -0.046 25124 17348 1 25 . 1 1 111 111 ALA N N 111 122.208 122.208 123.339 -1.131 25124 17349 1 25 . 1 1 111 111 ALA HA H 111 3.758 3.758 4.173 -0.415 25124 17350 1 25 . 1 1 111 111 ALA C C 111 178.605 178.605 179.536 -0.931 25124 17351 1 25 . 1 1 111 111 ALA CA C 111 55.320 55.320 55.017 0.303 25124 17352 1 25 . 1 1 111 111 ALA CB C 111 18.174 18.174 18.489 -0.315 25124 17353 1 25 . 1 1 111 111 ALA H H 111 7.903 7.903 7.589 0.314 25124 17354 1 25 . 1 1 112 112 VAL N N 112 116.429 116.429 118.635 -2.206 25124 17355 1 25 . 1 1 112 112 VAL HA H 112 3.194 3.194 3.588 -0.394 25124 17356 1 25 . 1 1 112 112 VAL C C 112 177.230 177.230 177.648 -0.418 25124 17357 1 25 . 1 1 112 112 VAL CA C 112 67.154 67.154 66.409 0.745 25124 17358 1 25 . 1 1 112 112 VAL CB C 112 31.538 31.538 31.069 0.469 25124 17359 1 25 . 1 1 112 112 VAL H H 112 8.032 8.032 8.492 -0.460 25124 17360 1 25 . 1 1 113 113 ALA N N 113 120.198 120.198 120.194 0.004 25124 17361 1 25 . 1 1 113 113 ALA HA H 113 4.159 4.159 4.266 -0.107 25124 17362 1 25 . 1 1 113 113 ALA C C 113 180.589 180.589 179.262 1.327 25124 17363 1 25 . 1 1 113 113 ALA CA C 113 54.902 54.902 54.292 0.610 25124 17364 1 25 . 1 1 113 113 ALA CB C 113 17.980 17.980 18.606 -0.626 25124 17365 1 25 . 1 1 113 113 ALA H H 113 7.723 7.723 7.855 -0.132 25124 17366 1 25 . 1 1 114 114 LEU N N 114 120.742 120.742 119.917 0.825 25124 17367 1 25 . 1 1 114 114 LEU HA H 114 4.102 4.102 4.209 -0.107 25124 17368 1 25 . 1 1 114 114 LEU C C 114 178.605 178.605 178.259 0.346 25124 17369 1 25 . 1 1 114 114 LEU CA C 114 58.181 58.181 57.265 0.916 25124 17370 1 25 . 1 1 114 114 LEU CB C 114 42.032 42.032 42.124 -0.092 25124 17371 1 25 . 1 1 114 114 LEU H H 114 7.928 7.928 7.331 0.597 25124 17372 1 25 . 1 1 115 115 VAL N N 115 119.478 119.478 119.002 0.476 25124 17373 1 25 . 1 1 115 115 VAL HA H 115 3.250 3.250 3.555 -0.305 25124 17374 1 25 . 1 1 115 115 VAL C C 115 177.548 177.548 178.202 -0.654 25124 17375 1 25 . 1 1 115 115 VAL CA C 115 67.168 67.168 66.371 0.797 25124 17376 1 25 . 1 1 115 115 VAL CB C 115 30.760 30.760 31.154 -0.394 25124 17377 1 25 . 1 1 115 115 VAL H H 115 7.846 7.846 8.363 -0.517 25124 17378 1 25 . 1 1 116 116 GLU N N 116 117.570 117.570 117.103 0.467 25124 17379 1 25 . 1 1 116 116 GLU HA H 116 3.809 3.809 4.091 -0.282 25124 17380 1 25 . 1 1 116 116 GLU C C 116 179.557 179.557 178.566 0.991 25124 17381 1 25 . 1 1 116 116 GLU CA C 116 59.974 59.974 57.677 2.297 25124 17382 1 25 . 1 1 116 116 GLU CB C 116 29.084 29.084 28.893 0.191 25124 17383 1 25 . 1 1 116 116 GLU H H 116 8.462 8.462 7.849 0.613 25124 17384 1 25 . 1 1 117 117 ARG N N 117 120.263 120.263 119.903 0.360 25124 17385 1 25 . 1 1 117 117 ARG HA H 117 4.109 4.109 4.044 0.065 25124 17386 1 25 . 1 1 117 117 ARG C C 117 178.500 178.500 177.877 0.623 25124 17387 1 25 . 1 1 117 117 ARG CA C 117 59.411 59.411 59.406 0.005 25124 17388 1 25 . 1 1 117 117 ARG CB C 117 30.414 30.414 30.067 0.347 25124 17389 1 25 . 1 1 117 117 ARG H H 117 8.090 8.090 7.545 0.545 25124 17390 1 25 . 1 1 118 118 ALA N N 118 122.157 122.157 118.757 3.400 25124 17391 1 25 . 1 1 118 118 ALA HA H 118 3.467 3.467 4.300 -0.833 25124 17392 1 25 . 1 1 118 118 ALA C C 118 178.632 178.632 179.693 -1.061 25124 17393 1 25 . 1 1 118 118 ALA CA C 118 54.739 54.739 53.738 1.001 25124 17394 1 25 . 1 1 118 118 ALA CB C 118 18.280 18.280 18.598 -0.318 25124 17395 1 25 . 1 1 118 118 ALA H H 118 8.005 8.005 7.202 0.803 25124 17396 1 25 . 1 1 119 119 ILE N N 119 115.429 115.429 119.971 -4.542 25124 17397 1 25 . 1 1 119 119 ILE HA H 119 3.706 3.706 3.853 -0.147 25124 17398 1 25 . 1 1 119 119 ILE C C 119 177.442 177.442 177.718 -0.276 25124 17399 1 25 . 1 1 119 119 ILE CA C 119 63.910 63.910 64.866 -0.956 25124 17400 1 25 . 1 1 119 119 ILE CB C 119 37.939 37.939 37.578 0.361 25124 17401 1 25 . 1 1 119 119 ILE H H 119 7.788 7.788 7.426 0.362 25124 17402 1 25 . 1 1 120 120 SER N N 120 114.902 114.902 114.373 0.529 25124 17403 1 25 . 1 1 120 120 SER HA H 120 4.285 4.285 4.192 0.093 25124 17404 1 25 . 1 1 120 120 SER C C 120 175.142 175.142 175.818 -0.676 25124 17405 1 25 . 1 1 120 120 SER CA C 120 59.871 59.871 59.879 -0.008 25124 17406 1 25 . 1 1 120 120 SER CB C 120 63.522 63.522 63.140 0.382 25124 17407 1 25 . 1 1 120 120 SER H H 120 7.881 7.881 8.426 -0.545 25124 17408 1 25 . 1 1 121 121 HIS N N 121 119.927 119.927 119.743 0.184 25124 17409 1 25 . 1 1 121 121 HIS HA H 121 4.439 4.439 4.328 0.111 25124 17410 1 25 . 1 1 121 121 HIS C C 121 174.957 174.957 176.512 -1.555 25124 17411 1 25 . 1 1 121 121 HIS CA C 121 57.362 57.362 59.135 -1.773 25124 17412 1 25 . 1 1 121 121 HIS CB C 121 29.496 29.496 30.207 -0.711 25124 17413 1 25 . 1 1 121 121 HIS H H 121 7.960 7.960 8.021 -0.061 25124 17414 1 25 . 1 1 122 122 TYR N N 122 118.745 118.745 113.695 5.050 25124 17415 1 25 . 1 1 122 122 TYR HA H 122 4.455 4.455 4.832 -0.377 25124 17416 1 25 . 1 1 122 122 TYR C C 122 175.353 175.353 175.425 -0.072 25124 17417 1 25 . 1 1 122 122 TYR CA C 122 58.528 58.528 57.528 1.000 25124 17418 1 25 . 1 1 122 122 TYR CB C 122 38.726 38.726 39.311 -0.585 25124 17419 1 25 . 1 1 122 122 TYR H H 122 7.776 7.776 7.439 0.337 25124 17420 1 25 . 1 1 123 123 GLN N N 123 121.424 121.424 121.274 0.150 25124 17421 1 25 . 1 1 123 123 GLN HA H 123 4.294 4.294 4.235 0.059 25124 17422 1 25 . 1 1 123 123 GLN C C 123 174.560 174.560 175.064 -0.504 25124 17423 1 25 . 1 1 123 123 GLN CA C 123 55.658 55.658 55.030 0.628 25124 17424 1 25 . 1 1 123 123 GLN CB C 123 29.877 29.877 28.348 1.529 25124 17425 1 25 . 1 1 123 123 GLN H H 123 7.904 7.904 6.896 1.008 25124 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 115 3.349 -0.356 3.345 25124 2 1 1 "Average Difference" HA 129 0.379 -0.066 0.375 25124 3 1 1 "Average Difference" C 115 1.102 0.059 1.105 25124 4 1 1 "Average Difference" CA 122 1.245 0.107 1.245 25124 5 1 1 "Average Difference" CB 115 1.130 -0.203 1.117 25124 6 1 1 "Average Difference" HN 115 0.650 -0.237 0.608 25124 7 1 2 "Average Difference" N 115 3.315 -0.106 3.328 25124 8 1 2 "Average Difference" HA 129 0.386 -0.080 0.380 25124 9 1 2 "Average Difference" C 115 1.122 0.080 1.124 25124 10 1 2 "Average Difference" CA 122 1.288 0.137 1.286 25124 11 1 2 "Average Difference" CB 115 1.244 -0.268 1.220 25124 12 1 2 "Average Difference" HN 115 0.650 -0.223 0.614 25124 13 1 3 "Average Difference" N 115 3.339 -0.305 3.339 25124 14 1 3 "Average Difference" HA 129 0.404 -0.068 0.399 25124 15 1 3 "Average Difference" C 115 1.141 0.056 1.144 25124 16 1 3 "Average Difference" CA 122 1.283 0.107 1.284 25124 17 1 3 "Average Difference" CB 115 1.192 -0.275 1.164 25124 18 1 3 "Average Difference" HN 115 0.669 -0.208 0.639 25124 19 1 4 "Average Difference" N 115 3.245 -0.444 3.229 25124 20 1 4 "Average Difference" HA 129 0.375 -0.070 0.370 25124 21 1 4 "Average Difference" C 115 1.065 0.007 1.069 25124 22 1 4 "Average Difference" CA 122 1.229 0.063 1.232 25124 23 1 4 "Average Difference" CB 115 1.128 -0.212 1.113 25124 24 1 4 "Average Difference" HN 115 0.674 -0.232 0.636 25124 25 1 5 "Average Difference" N 115 3.025 -0.236 3.029 25124 26 1 5 "Average Difference" HA 129 0.365 -0.070 0.359 25124 27 1 5 "Average Difference" C 115 1.025 0.102 1.024 25124 28 1 5 "Average Difference" CA 122 1.159 0.052 1.162 25124 29 1 5 "Average Difference" CB 115 1.068 -0.158 1.061 25124 30 1 5 "Average Difference" HN 115 0.672 -0.231 0.634 25124 31 1 6 "Average Difference" N 115 3.227 -0.188 3.235 25124 32 1 6 "Average Difference" HA 129 0.371 -0.077 0.364 25124 33 1 6 "Average Difference" C 115 1.058 0.051 1.061 25124 34 1 6 "Average Difference" CA 122 1.250 0.091 1.252 25124 35 1 6 "Average Difference" CB 115 1.133 -0.200 1.120 25124 36 1 6 "Average Difference" HN 115 0.638 -0.213 0.604 25124 37 1 7 "Average Difference" N 115 3.325 -0.579 3.289 25124 38 1 7 "Average Difference" HA 129 0.372 -0.064 0.367 25124 39 1 7 "Average Difference" C 115 1.073 0.024 1.077 25124 40 1 7 "Average Difference" CA 122 1.164 0.090 1.165 25124 41 1 7 "Average Difference" CB 115 1.070 -0.184 1.059 25124 42 1 7 "Average Difference" HN 115 0.650 -0.214 0.617 25124 43 1 8 "Average Difference" N 115 3.235 -0.372 3.228 25124 44 1 8 "Average Difference" HA 129 0.384 -0.082 0.377 25124 45 1 8 "Average Difference" C 115 1.065 0.098 1.065 25124 46 1 8 "Average Difference" CA 122 1.246 0.103 1.247 25124 47 1 8 "Average Difference" CB 115 1.146 -0.244 1.125 25124 48 1 8 "Average Difference" HN 115 0.646 -0.221 0.610 25124 49 1 9 "Average Difference" N 115 3.295 -0.271 3.299 25124 50 1 9 "Average Difference" HA 129 0.379 -0.089 0.370 25124 51 1 9 "Average Difference" C 115 1.152 0.032 1.156 25124 52 1 9 "Average Difference" CA 122 1.301 0.128 1.301 25124 53 1 9 "Average Difference" CB 115 1.272 -0.255 1.251 25124 54 1 9 "Average Difference" HN 115 0.666 -0.210 0.634 25124 55 1 10 "Average Difference" N 115 3.182 -0.207 3.189 25124 56 1 10 "Average Difference" HA 129 0.357 -0.059 0.354 25124 57 1 10 "Average Difference" C 115 1.052 0.064 1.054 25124 58 1 10 "Average Difference" CA 122 1.177 0.114 1.176 25124 59 1 10 "Average Difference" CB 115 1.040 -0.128 1.037 25124 60 1 10 "Average Difference" HN 115 0.655 -0.214 0.622 25124 61 1 11 "Average Difference" N 115 3.279 -0.294 3.280 25124 62 1 11 "Average Difference" HA 129 0.384 -0.087 0.376 25124 63 1 11 "Average Difference" C 115 1.061 0.058 1.064 25124 64 1 11 "Average Difference" CA 122 1.262 0.129 1.260 25124 65 1 11 "Average Difference" CB 115 1.311 -0.249 1.292 25124 66 1 11 "Average Difference" HN 115 0.672 -0.226 0.636 25124 67 1 12 "Average Difference" N 115 3.271 -0.328 3.268 25124 68 1 12 "Average Difference" HA 129 0.387 -0.098 0.376 25124 69 1 12 "Average Difference" C 115 1.088 0.082 1.089 25124 70 1 12 "Average Difference" CA 122 1.283 0.153 1.279 25124 71 1 12 "Average Difference" CB 115 1.201 -0.226 1.185 25124 72 1 12 "Average Difference" HN 115 0.629 -0.200 0.599 25124 73 1 13 "Average Difference" N 115 3.334 -0.394 3.325 25124 74 1 13 "Average Difference" HA 129 0.357 -0.073 0.351 25124 75 1 13 "Average Difference" C 115 1.098 0.114 1.097 25124 76 1 13 "Average Difference" CA 122 1.261 0.137 1.258 25124 77 1 13 "Average Difference" CB 115 1.247 -0.237 1.230 25124 78 1 13 "Average Difference" HN 115 0.649 -0.222 0.612 25124 79 1 14 "Average Difference" N 115 3.320 -0.109 3.333 25124 80 1 14 "Average Difference" HA 129 0.384 -0.083 0.376 25124 81 1 14 "Average Difference" C 115 1.054 0.097 1.054 25124 82 1 14 "Average Difference" CA 122 1.297 0.180 1.289 25124 83 1 14 "Average Difference" CB 115 1.219 -0.221 1.205 25124 84 1 14 "Average Difference" HN 115 0.636 -0.182 0.612 25124 85 1 15 "Average Difference" N 115 3.161 -0.283 3.163 25124 86 1 15 "Average Difference" HA 129 0.380 -0.064 0.376 25124 87 1 15 "Average Difference" C 115 1.074 0.050 1.077 25124 88 1 15 "Average Difference" CA 122 1.261 0.118 1.261 25124 89 1 15 "Average Difference" CB 115 1.163 -0.226 1.146 25124 90 1 15 "Average Difference" HN 115 0.651 -0.225 0.613 25124 91 1 16 "Average Difference" N 115 3.389 -0.409 3.379 25124 92 1 16 "Average Difference" HA 129 0.363 -0.064 0.359 25124 93 1 16 "Average Difference" C 115 1.081 0.082 1.083 25124 94 1 16 "Average Difference" CA 122 1.168 0.065 1.171 25124 95 1 16 "Average Difference" CB 115 1.092 -0.197 1.079 25124 96 1 16 "Average Difference" HN 115 0.672 -0.232 0.633 25124 97 1 17 "Average Difference" N 115 3.377 -0.464 3.359 25124 98 1 17 "Average Difference" HA 129 0.376 -0.084 0.368 25124 99 1 17 "Average Difference" C 115 1.077 0.093 1.077 25124 100 1 17 "Average Difference" CA 122 1.194 0.120 1.193 25124 101 1 17 "Average Difference" CB 115 1.184 -0.156 1.179 25124 102 1 17 "Average Difference" HN 115 0.651 -0.216 0.616 25124 103 1 18 "Average Difference" N 115 3.247 -0.317 3.245 25124 104 1 18 "Average Difference" HA 129 0.368 -0.075 0.362 25124 105 1 18 "Average Difference" C 115 1.136 0.040 1.140 25124 106 1 18 "Average Difference" CA 122 1.245 0.073 1.248 25124 107 1 18 "Average Difference" CB 115 1.213 -0.232 1.196 25124 108 1 18 "Average Difference" HN 115 0.647 -0.229 0.608 25124 109 1 19 "Average Difference" N 115 3.371 -0.340 3.368 25124 110 1 19 "Average Difference" HA 129 0.376 -0.079 0.369 25124 111 1 19 "Average Difference" C 115 1.105 0.064 1.108 25124 112 1 19 "Average Difference" CA 122 1.230 0.131 1.228 25124 113 1 19 "Average Difference" CB 115 1.201 -0.263 1.177 25124 114 1 19 "Average Difference" HN 115 0.643 -0.205 0.612 25124 115 1 20 "Average Difference" N 115 3.249 -0.285 3.251 25124 116 1 20 "Average Difference" HA 129 0.381 -0.064 0.376 25124 117 1 20 "Average Difference" C 115 1.088 0.025 1.093 25124 118 1 20 "Average Difference" CA 122 1.249 0.122 1.249 25124 119 1 20 "Average Difference" CB 115 1.155 -0.182 1.145 25124 120 1 20 "Average Difference" HN 115 0.644 -0.201 0.615 25124 121 1 21 "Average Difference" N 115 3.193 -0.338 3.189 25124 122 1 21 "Average Difference" HA 129 0.380 -0.072 0.375 25124 123 1 21 "Average Difference" C 115 1.060 0.084 1.061 25124 124 1 21 "Average Difference" CA 122 1.170 0.172 1.162 25124 125 1 21 "Average Difference" CB 115 1.085 -0.173 1.076 25124 126 1 21 "Average Difference" HN 115 0.642 -0.217 0.606 25124 127 1 22 "Average Difference" N 115 3.148 -0.329 3.144 25124 128 1 22 "Average Difference" HA 129 0.360 -0.069 0.355 25124 129 1 22 "Average Difference" C 115 1.065 0.070 1.068 25124 130 1 22 "Average Difference" CA 122 1.187 0.117 1.186 25124 131 1 22 "Average Difference" CB 115 1.166 -0.182 1.157 25124 132 1 22 "Average Difference" HN 115 0.638 -0.232 0.597 25124 133 1 23 "Average Difference" N 115 3.294 -0.328 3.292 25124 134 1 23 "Average Difference" HA 129 0.379 -0.082 0.372 25124 135 1 23 "Average Difference" C 115 1.084 0.097 1.084 25124 136 1 23 "Average Difference" CA 122 1.247 0.152 1.243 25124 137 1 23 "Average Difference" CB 115 1.167 -0.150 1.163 25124 138 1 23 "Average Difference" HN 115 0.655 -0.195 0.628 25124 139 1 24 "Average Difference" N 115 3.380 -0.361 3.375 25124 140 1 24 "Average Difference" HA 129 0.367 -0.075 0.361 25124 141 1 24 "Average Difference" C 115 1.069 0.087 1.070 25124 142 1 24 "Average Difference" CA 122 1.249 0.124 1.248 25124 143 1 24 "Average Difference" CB 115 1.110 -0.208 1.096 25124 144 1 24 "Average Difference" HN 115 0.646 -0.199 0.617 25124 145 1 25 "Average Difference" N 115 3.157 -0.283 3.158 25124 146 1 25 "Average Difference" HA 129 0.346 -0.067 0.341 25124 147 1 25 "Average Difference" C 115 1.061 0.077 1.063 25124 148 1 25 "Average Difference" CA 122 1.149 0.034 1.153 25124 149 1 25 "Average Difference" CB 115 1.106 -0.168 1.098 25124 150 1 25 "Average Difference" HN 115 0.647 -0.227 0.608 25124 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 25124 _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 GLN HA H 2 4.453 4.453 4.528 -0.075 25124 2 1 . 1 1 2 2 GLN C C 2 174.930 174.930 174.562 0.368 25124 3 1 . 1 1 2 2 GLN CA C 2 55.627 55.627 55.820 -0.193 25124 4 1 . 1 1 2 2 GLN CB C 2 29.312 29.312 29.754 -0.442 25124 5 1 . 1 1 3 3 ARG N N 3 121.349 121.349 121.268 0.081 25124 6 1 . 1 1 3 3 ARG HA H 3 4.390 4.390 4.327 0.063 25124 7 1 . 1 1 3 3 ARG C C 3 175.723 175.723 174.222 1.501 25124 8 1 . 1 1 3 3 ARG CA C 3 56.041 56.041 56.441 -0.400 25124 9 1 . 1 1 3 3 ARG CB C 3 31.395 31.395 31.384 0.011 25124 10 1 . 1 1 3 3 ARG H H 3 8.451 8.451 8.408 0.043 25124 11 1 . 1 1 4 4 GLY N N 4 107.889 107.889 108.522 -0.633 25124 12 1 . 1 1 4 4 GLY C C 4 171.122 171.122 172.633 -1.511 25124 13 1 . 1 1 4 4 GLY CA C 4 45.333 45.333 44.635 0.698 25124 14 1 . 1 1 4 4 GLY H H 4 8.037 8.037 8.276 -0.239 25124 15 1 . 1 1 5 5 ILE N N 5 122.674 122.674 121.091 1.583 25124 16 1 . 1 1 5 5 ILE HA H 5 4.731 4.731 3.982 0.749 25124 17 1 . 1 1 5 5 ILE C C 5 175.459 175.459 174.906 0.553 25124 18 1 . 1 1 5 5 ILE CA C 5 60.614 60.614 62.344 -1.730 25124 19 1 . 1 1 5 5 ILE CB C 5 39.535 39.535 38.112 1.423 25124 20 1 . 1 1 5 5 ILE H H 5 9.605 9.605 8.277 1.328 25124 21 1 . 1 1 6 6 VAL N N 6 127.532 127.532 126.679 0.853 25124 22 1 . 1 1 6 6 VAL HA H 6 4.892 4.892 4.365 0.527 25124 23 1 . 1 1 6 6 VAL C C 6 174.110 174.110 174.608 -0.498 25124 24 1 . 1 1 6 6 VAL CA C 6 59.255 59.255 61.328 -2.073 25124 25 1 . 1 1 6 6 VAL CB C 6 34.530 34.530 32.791 1.739 25124 26 1 . 1 1 6 6 VAL H H 6 9.135 9.135 8.131 1.004 25124 27 1 . 1 1 7 7 TRP N N 7 127.409 127.409 128.391 -0.982 25124 28 1 . 1 1 7 7 TRP HA H 7 6.447 6.447 5.147 1.300 25124 29 1 . 1 1 7 7 TRP C C 7 175.089 175.089 175.143 -0.054 25124 30 1 . 1 1 7 7 TRP CA C 7 52.797 52.797 54.305 -1.508 25124 31 1 . 1 1 7 7 TRP CB C 7 33.255 33.255 30.532 2.723 25124 32 1 . 1 1 7 7 TRP H H 7 8.544 8.544 8.274 0.270 25124 33 1 . 1 1 8 8 VAL N N 8 122.270 122.270 124.551 -2.281 25124 34 1 . 1 1 8 8 VAL HA H 8 5.135 5.135 4.478 0.657 25124 35 1 . 1 1 8 8 VAL C C 8 173.820 173.820 174.175 -0.355 25124 36 1 . 1 1 8 8 VAL CA C 8 60.457 60.457 61.234 -0.777 25124 37 1 . 1 1 8 8 VAL CB C 8 35.893 35.893 33.731 2.162 25124 38 1 . 1 1 8 8 VAL H H 8 8.643 8.643 8.490 0.153 25124 39 1 . 1 1 9 9 VAL N N 9 126.806 126.806 128.491 -1.685 25124 40 1 . 1 1 9 9 VAL HA H 9 5.192 5.192 4.361 0.831 25124 41 1 . 1 1 9 9 VAL C C 9 172.550 172.550 173.914 -1.364 25124 42 1 . 1 1 9 9 VAL CA C 9 58.384 58.384 61.108 -2.724 25124 43 1 . 1 1 9 9 VAL CB C 9 34.135 34.135 32.346 1.790 25124 44 1 . 1 1 9 9 VAL H H 9 9.113 9.113 8.396 0.717 25124 45 1 . 1 1 10 10 ASP N N 10 125.011 125.011 125.867 -0.856 25124 46 1 . 1 1 10 10 ASP HA H 10 4.554 4.554 4.863 -0.309 25124 47 1 . 1 1 10 10 ASP C C 10 174.877 174.877 174.181 0.696 25124 48 1 . 1 1 10 10 ASP CA C 10 55.066 55.066 53.090 1.976 25124 49 1 . 1 1 10 10 ASP CB C 10 44.131 44.131 43.764 0.367 25124 50 1 . 1 1 10 10 ASP H H 10 7.881 7.881 8.068 -0.187 25124 51 1 . 1 1 11 11 ASP N N 11 124.048 124.048 120.843 3.205 25124 52 1 . 1 1 11 11 ASP HA H 11 4.613 4.613 4.826 -0.213 25124 53 1 . 1 1 11 11 ASP C C 11 175.089 175.089 174.675 0.414 25124 54 1 . 1 1 11 11 ASP CA C 11 55.346 55.346 53.752 1.594 25124 55 1 . 1 1 11 11 ASP CB C 11 39.583 39.583 40.550 -0.967 25124 56 1 . 1 1 11 11 ASP H H 11 9.166 9.166 8.563 0.603 25124 57 1 . 1 1 12 12 ASP N N 12 125.165 125.165 121.763 3.402 25124 58 1 . 1 1 12 12 ASP HA H 12 4.757 4.757 4.761 -0.004 25124 59 1 . 1 1 12 12 ASP C C 12 176.993 176.993 176.125 0.868 25124 60 1 . 1 1 12 12 ASP CA C 12 53.112 53.112 54.273 -1.161 25124 61 1 . 1 1 12 12 ASP CB C 12 41.072 41.072 43.594 -2.522 25124 62 1 . 1 1 12 12 ASP H H 12 10.290 10.290 7.709 2.581 25124 63 1 . 1 1 13 13 SER N N 13 123.818 123.818 119.977 3.841 25124 64 1 . 1 1 13 13 SER HA H 13 3.719 3.719 4.215 -0.496 25124 65 1 . 1 1 13 13 SER C C 13 176.146 176.146 176.017 0.129 25124 66 1 . 1 1 13 13 SER CA C 13 61.341 61.341 61.049 0.292 25124 67 1 . 1 1 13 13 SER CB C 13 62.638 62.638 63.425 -0.787 25124 68 1 . 1 1 13 13 SER H H 13 8.993 8.993 8.747 0.246 25124 69 1 . 1 1 14 14 SER N N 14 118.714 118.714 118.069 0.645 25124 70 1 . 1 1 14 14 SER HA H 14 4.322 4.322 4.368 -0.046 25124 71 1 . 1 1 14 14 SER C C 14 176.411 176.411 176.185 0.226 25124 72 1 . 1 1 14 14 SER CA C 14 61.717 61.717 61.477 0.240 25124 73 1 . 1 1 14 14 SER CB C 14 62.554 62.554 62.967 -0.413 25124 74 1 . 1 1 14 14 SER H H 14 8.499 8.499 8.091 0.408 25124 75 1 . 1 1 15 15 ILE N N 15 122.822 122.822 120.158 2.664 25124 76 1 . 1 1 15 15 ILE HA H 15 3.972 3.972 3.879 0.093 25124 77 1 . 1 1 15 15 ILE C C 15 177.786 177.786 177.966 -0.180 25124 78 1 . 1 1 15 15 ILE CA C 15 60.784 60.784 62.558 -1.774 25124 79 1 . 1 1 15 15 ILE CB C 15 36.016 36.016 36.654 -0.638 25124 80 1 . 1 1 15 15 ILE H H 15 7.011 7.011 7.942 -0.931 25124 81 1 . 1 1 16 16 ARG N N 16 116.580 116.580 119.598 -3.018 25124 82 1 . 1 1 16 16 ARG HA H 16 3.711 3.711 4.150 -0.439 25124 83 1 . 1 1 16 16 ARG C C 16 177.336 177.336 178.446 -1.110 25124 84 1 . 1 1 16 16 ARG CA C 16 61.632 61.632 59.468 2.164 25124 85 1 . 1 1 16 16 ARG CB C 16 30.520 30.520 30.253 0.267 25124 86 1 . 1 1 16 16 ARG H H 16 7.370 7.370 7.920 -0.550 25124 87 1 . 1 1 17 17 TRP N N 17 116.893 116.893 122.302 -5.409 25124 88 1 . 1 1 17 17 TRP HA H 17 4.481 4.481 4.392 0.089 25124 89 1 . 1 1 17 17 TRP C C 17 178.394 178.394 177.881 0.513 25124 90 1 . 1 1 17 17 TRP CA C 17 60.482 60.482 61.419 -0.937 25124 91 1 . 1 1 17 17 TRP CB C 17 29.372 29.372 29.377 -0.005 25124 92 1 . 1 1 17 17 TRP H H 17 8.020 8.020 8.236 -0.216 25124 93 1 . 1 1 18 18 VAL N N 18 116.799 116.799 116.719 0.080 25124 94 1 . 1 1 18 18 VAL HA H 18 3.662 3.662 2.681 0.981 25124 95 1 . 1 1 18 18 VAL C C 18 179.161 179.161 177.739 1.422 25124 96 1 . 1 1 18 18 VAL CA C 18 65.858 65.858 65.470 0.388 25124 97 1 . 1 1 18 18 VAL CB C 18 31.792 31.792 30.695 1.097 25124 98 1 . 1 1 18 18 VAL H H 18 8.085 8.085 7.896 0.189 25124 99 1 . 1 1 19 19 LEU N N 19 119.595 119.595 120.327 -0.732 25124 100 1 . 1 1 19 19 LEU HA H 19 4.083 4.083 3.859 0.224 25124 101 1 . 1 1 19 19 LEU C C 19 177.759 177.759 178.735 -0.976 25124 102 1 . 1 1 19 19 LEU CA C 19 57.971 57.971 57.809 0.162 25124 103 1 . 1 1 19 19 LEU CB C 19 41.863 41.863 41.458 0.405 25124 104 1 . 1 1 19 19 LEU H H 19 8.035 8.035 7.310 0.725 25124 105 1 . 1 1 20 20 GLU N N 20 120.318 120.318 119.552 0.766 25124 106 1 . 1 1 20 20 GLU HA H 20 4.007 4.007 3.868 0.139 25124 107 1 . 1 1 20 20 GLU C C 20 178.500 178.500 179.133 -0.633 25124 108 1 . 1 1 20 20 GLU CA C 20 60.567 60.567 59.484 1.083 25124 109 1 . 1 1 20 20 GLU CB C 20 29.073 29.073 29.463 -0.390 25124 110 1 . 1 1 20 20 GLU H H 20 8.417 8.417 7.989 0.428 25124 111 1 . 1 1 21 21 ARG N N 21 115.981 115.981 117.753 -1.772 25124 112 1 . 1 1 21 21 ARG HA H 21 3.898 3.898 3.933 -0.035 25124 113 1 . 1 1 21 21 ARG C C 21 179.769 179.769 177.906 1.863 25124 114 1 . 1 1 21 21 ARG CA C 21 58.491 58.491 58.549 -0.058 25124 115 1 . 1 1 21 21 ARG CB C 21 29.966 29.966 29.688 0.278 25124 116 1 . 1 1 21 21 ARG H H 21 7.579 7.579 8.010 -0.431 25124 117 1 . 1 1 22 22 ALA N N 22 122.267 122.267 121.710 0.557 25124 118 1 . 1 1 22 22 ALA HA H 22 4.110 4.110 4.156 -0.046 25124 119 1 . 1 1 22 22 ALA C C 22 180.456 180.456 179.493 0.963 25124 120 1 . 1 1 22 22 ALA CA C 22 54.643 54.643 54.416 0.227 25124 121 1 . 1 1 22 22 ALA CB C 22 19.225 19.225 18.813 0.412 25124 122 1 . 1 1 22 22 ALA H H 22 7.933 7.933 7.544 0.389 25124 123 1 . 1 1 23 23 LEU N N 23 118.139 118.139 119.802 -1.663 25124 124 1 . 1 1 23 23 LEU HA H 23 4.005 4.005 3.895 0.110 25124 125 1 . 1 1 23 23 LEU C C 23 178.843 178.843 179.305 -0.462 25124 126 1 . 1 1 23 23 LEU CA C 23 57.765 57.765 57.903 -0.138 25124 127 1 . 1 1 23 23 LEU CB C 23 39.919 39.919 41.394 -1.475 25124 128 1 . 1 1 23 23 LEU H H 23 8.855 8.855 8.423 0.432 25124 129 1 . 1 1 24 24 ALA N N 24 122.164 122.164 120.036 2.128 25124 130 1 . 1 1 24 24 ALA HA H 24 4.665 4.665 4.049 0.616 25124 131 1 . 1 1 24 24 ALA C C 24 183.206 183.206 179.534 3.672 25124 132 1 . 1 1 24 24 ALA CA C 24 54.812 54.812 54.514 0.298 25124 133 1 . 1 1 24 24 ALA CB C 24 17.820 17.820 18.350 -0.530 25124 134 1 . 1 1 24 24 ALA H H 24 8.238 8.238 8.046 0.192 25124 135 1 . 1 1 25 25 GLY N N 25 106.903 106.903 105.628 1.275 25124 136 1 . 1 1 25 25 GLY C C 25 174.375 174.375 175.237 -0.862 25124 137 1 . 1 1 25 25 GLY CA C 25 46.550 46.550 45.523 1.027 25124 138 1 . 1 1 25 25 GLY H H 25 7.907 7.907 7.615 0.292 25124 139 1 . 1 1 26 26 ALA N N 26 121.832 121.832 122.418 -0.586 25124 140 1 . 1 1 26 26 ALA HA H 26 4.505 4.505 4.465 0.040 25124 141 1 . 1 1 26 26 ALA CA C 26 51.585 51.585 51.877 -0.292 25124 142 1 . 1 1 26 26 ALA CB C 26 18.799 18.799 19.348 -0.549 25124 143 1 . 1 1 26 26 ALA H H 26 7.316 7.316 7.867 -0.551 25124 144 1 . 1 1 27 27 GLY N N 27 106.146 106.146 106.307 -0.161 25124 145 1 . 1 1 27 27 GLY C C 27 174.057 174.057 174.442 -0.385 25124 146 1 . 1 1 27 27 GLY CA C 27 45.333 45.333 45.079 0.254 25124 147 1 . 1 1 27 27 GLY H H 27 7.868 7.868 8.011 -0.143 25124 148 1 . 1 1 28 28 LEU N N 28 120.273 120.273 121.271 -0.998 25124 149 1 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.215 0.360 25124 150 1 . 1 1 28 28 LEU C C 28 175.988 175.988 177.164 -1.176 25124 151 1 . 1 1 28 28 LEU CA C 28 53.881 53.881 54.722 -0.841 25124 152 1 . 1 1 28 28 LEU CB C 28 42.540 42.540 42.049 0.491 25124 153 1 . 1 1 28 28 LEU H H 28 7.659 7.659 7.549 0.110 25124 154 1 . 1 1 29 29 THR N N 29 118.173 118.173 118.581 -0.408 25124 155 1 . 1 1 29 29 THR HA H 29 4.346 4.346 4.198 0.148 25124 156 1 . 1 1 29 29 THR C C 29 173.344 173.344 173.676 -0.332 25124 157 1 . 1 1 29 29 THR CA C 29 62.598 62.598 63.665 -1.067 25124 158 1 . 1 1 29 29 THR CB C 29 69.423 69.423 68.927 0.496 25124 159 1 . 1 1 29 29 THR H H 29 8.562 8.562 8.219 0.343 25124 160 1 . 1 1 30 30 CYS N N 30 128.450 128.450 127.685 0.765 25124 161 1 . 1 1 30 30 CYS HA H 30 6.012 6.012 4.676 1.336 25124 162 1 . 1 1 30 30 CYS C C 30 173.978 173.978 174.013 -0.035 25124 163 1 . 1 1 30 30 CYS CA C 30 56.424 56.424 57.816 -1.392 25124 164 1 . 1 1 30 30 CYS CB C 30 29.615 29.615 28.656 0.959 25124 165 1 . 1 1 30 30 CYS H H 30 9.035 9.035 8.640 0.395 25124 166 1 . 1 1 31 31 THR N N 31 126.377 126.377 124.693 1.684 25124 167 1 . 1 1 31 31 THR HA H 31 4.442 4.442 4.543 -0.101 25124 168 1 . 1 1 31 31 THR C C 31 172.683 172.683 172.698 -0.015 25124 169 1 . 1 1 31 31 THR CA C 31 61.956 61.956 61.614 0.342 25124 170 1 . 1 1 31 31 THR CB C 31 70.624 70.624 71.613 -0.989 25124 171 1 . 1 1 31 31 THR H H 31 8.510 8.510 8.441 0.069 25124 172 1 . 1 1 32 32 THR N N 32 115.988 115.988 113.812 2.176 25124 173 1 . 1 1 32 32 THR HA H 32 5.454 5.454 4.798 0.656 25124 174 1 . 1 1 32 32 THR C C 32 172.259 172.259 172.191 0.068 25124 175 1 . 1 1 32 32 THR CA C 32 59.101 59.101 60.283 -1.182 25124 176 1 . 1 1 32 32 THR CB C 32 71.173 71.173 71.334 -0.161 25124 177 1 . 1 1 32 32 THR H H 32 8.301 8.301 7.783 0.518 25124 178 1 . 1 1 33 33 PHE N N 33 117.690 117.690 119.985 -2.295 25124 179 1 . 1 1 33 33 PHE HA H 33 4.723 4.723 4.702 0.021 25124 180 1 . 1 1 33 33 PHE C C 33 174.507 174.507 175.367 -0.860 25124 181 1 . 1 1 33 33 PHE CA C 33 56.504 56.504 58.349 -1.845 25124 182 1 . 1 1 33 33 PHE CB C 33 43.589 43.589 40.739 2.850 25124 183 1 . 1 1 33 33 PHE H H 33 8.834 8.834 8.553 0.281 25124 184 1 . 1 1 34 34 GLU N N 34 118.296 118.296 115.881 2.415 25124 185 1 . 1 1 34 34 GLU HA H 34 4.451 4.451 4.388 0.063 25124 186 1 . 1 1 34 34 GLU C C 34 174.957 174.957 174.509 0.448 25124 187 1 . 1 1 34 34 GLU CA C 34 56.661 56.661 57.377 -0.716 25124 188 1 . 1 1 34 34 GLU CB C 34 31.792 31.792 30.778 1.014 25124 189 1 . 1 1 34 34 GLU H H 34 9.096 9.096 8.520 0.576 25124 190 1 . 1 1 35 35 ASN N N 35 108.486 108.486 115.333 -6.847 25124 191 1 . 1 1 35 35 ASN HA H 35 4.960 4.960 5.023 -0.063 25124 192 1 . 1 1 35 35 ASN C C 35 175.353 175.353 176.626 -1.273 25124 193 1 . 1 1 35 35 ASN CA C 35 52.364 52.364 51.656 0.708 25124 194 1 . 1 1 35 35 ASN CB C 35 40.932 40.932 40.692 0.240 25124 195 1 . 1 1 35 35 ASN H H 35 7.286 7.286 7.801 -0.515 25124 196 1 . 1 1 36 36 GLY N N 36 105.329 105.329 108.486 -3.157 25124 197 1 . 1 1 36 36 GLY C C 36 174.586 174.586 175.602 -1.016 25124 198 1 . 1 1 36 36 GLY CA C 36 47.533 47.533 47.255 0.278 25124 199 1 . 1 1 36 36 GLY H H 36 9.369 9.369 8.907 0.462 25124 200 1 . 1 1 37 37 ASN N N 37 120.396 120.396 118.680 1.716 25124 201 1 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.306 0.056 25124 202 1 . 1 1 37 37 ASN C C 37 178.791 178.791 177.357 1.434 25124 203 1 . 1 1 37 37 ASN CA C 37 56.843 56.843 56.201 0.642 25124 204 1 . 1 1 37 37 ASN CB C 37 37.716 37.716 38.140 -0.424 25124 205 1 . 1 1 37 37 ASN H H 37 8.440 8.440 8.338 0.102 25124 206 1 . 1 1 38 38 GLU N N 38 119.334 119.334 119.400 -0.066 25124 207 1 . 1 1 38 38 GLU HA H 38 4.058 4.058 3.923 0.135 25124 208 1 . 1 1 38 38 GLU C C 38 179.372 179.372 178.844 0.528 25124 209 1 . 1 1 38 38 GLU CA C 38 58.790 58.790 59.154 -0.364 25124 210 1 . 1 1 38 38 GLU CB C 38 30.692 30.692 29.593 1.099 25124 211 1 . 1 1 38 38 GLU H H 38 8.063 8.063 7.885 0.178 25124 212 1 . 1 1 39 39 VAL N N 39 119.047 119.047 119.969 -0.922 25124 213 1 . 1 1 39 39 VAL HA H 39 2.599 2.599 2.762 -0.164 25124 214 1 . 1 1 39 39 VAL C C 39 176.807 176.807 177.882 -1.075 25124 215 1 . 1 1 39 39 VAL CA C 39 65.222 65.222 65.550 -0.328 25124 216 1 . 1 1 39 39 VAL CB C 39 31.078 31.078 31.074 0.004 25124 217 1 . 1 1 39 39 VAL H H 39 6.844 6.844 7.222 -0.378 25124 218 1 . 1 1 40 40 LEU N N 40 118.385 118.385 121.008 -2.623 25124 219 1 . 1 1 40 40 LEU HA H 40 3.929 3.929 3.922 0.007 25124 220 1 . 1 1 40 40 LEU C C 40 179.584 179.584 178.377 1.207 25124 221 1 . 1 1 40 40 LEU CA C 40 57.943 57.943 58.054 -0.111 25124 222 1 . 1 1 40 40 LEU CB C 40 40.932 40.932 40.323 0.609 25124 223 1 . 1 1 40 40 LEU H H 40 7.715 7.715 7.917 -0.202 25124 224 1 . 1 1 41 41 ALA N N 41 120.091 120.091 120.477 -0.386 25124 225 1 . 1 1 41 41 ALA HA H 41 4.158 4.158 3.900 0.258 25124 226 1 . 1 1 41 41 ALA C C 41 180.562 180.562 178.969 1.593 25124 227 1 . 1 1 41 41 ALA CA C 41 54.717 54.717 54.925 -0.208 25124 228 1 . 1 1 41 41 ALA CB C 41 17.853 17.853 17.922 -0.069 25124 229 1 . 1 1 41 41 ALA H H 41 7.671 7.671 7.728 -0.057 25124 230 1 . 1 1 42 42 ALA N N 42 122.650 122.650 120.076 2.574 25124 231 1 . 1 1 42 42 ALA HA H 42 4.221 4.221 4.248 -0.027 25124 232 1 . 1 1 42 42 ALA C C 42 180.166 180.166 179.649 0.517 25124 233 1 . 1 1 42 42 ALA CA C 42 54.974 54.974 54.081 0.893 25124 234 1 . 1 1 42 42 ALA CB C 42 19.488 19.488 18.292 1.196 25124 235 1 . 1 1 42 42 ALA H H 42 7.573 7.573 7.106 0.467 25124 236 1 . 1 1 43 43 LEU N N 43 119.321 119.321 120.960 -1.639 25124 237 1 . 1 1 43 43 LEU HA H 43 5.260 5.260 4.612 0.648 25124 238 1 . 1 1 43 43 LEU C C 43 177.389 177.389 179.514 -2.125 25124 239 1 . 1 1 43 43 LEU CA C 43 55.446 55.446 57.883 -2.437 25124 240 1 . 1 1 43 43 LEU CB C 43 42.879 42.879 42.077 0.802 25124 241 1 . 1 1 43 43 LEU H H 43 8.289 8.289 8.378 -0.089 25124 242 1 . 1 1 44 44 ALA N N 44 118.995 118.995 119.289 -0.294 25124 243 1 . 1 1 44 44 ALA HA H 44 4.232 4.232 4.086 0.146 25124 244 1 . 1 1 44 44 ALA C C 44 178.738 178.738 178.919 -0.181 25124 245 1 . 1 1 44 44 ALA CA C 44 54.353 54.353 54.537 -0.184 25124 246 1 . 1 1 44 44 ALA CB C 44 18.674 18.674 18.760 -0.086 25124 247 1 . 1 1 44 44 ALA H H 44 7.307 7.307 8.046 -0.739 25124 248 1 . 1 1 45 45 SER N N 45 108.530 108.530 112.377 -3.847 25124 249 1 . 1 1 45 45 SER HA H 45 4.761 4.761 4.438 0.323 25124 250 1 . 1 1 45 45 SER C C 45 173.344 173.344 175.077 -1.733 25124 251 1 . 1 1 45 45 SER CA C 45 58.682 58.682 60.217 -1.535 25124 252 1 . 1 1 45 45 SER CB C 45 65.446 65.446 64.045 1.401 25124 253 1 . 1 1 45 45 SER H H 45 7.772 7.772 7.833 -0.061 25124 254 1 . 1 1 46 46 LYS N N 46 122.965 122.965 118.675 4.290 25124 255 1 . 1 1 46 46 LYS HA H 46 4.608 4.608 4.613 -0.005 25124 256 1 . 1 1 46 46 LYS C C 46 172.815 172.815 174.177 -1.362 25124 257 1 . 1 1 46 46 LYS CA C 46 55.601 55.601 55.506 0.095 25124 258 1 . 1 1 46 46 LYS CB C 46 36.399 36.399 36.222 0.177 25124 259 1 . 1 1 46 46 LYS H H 46 8.096 8.096 8.482 -0.386 25124 260 1 . 1 1 47 47 THR N N 47 111.524 111.524 114.024 -2.500 25124 261 1 . 1 1 47 47 THR HA H 47 4.307 4.307 4.492 -0.185 25124 262 1 . 1 1 47 47 THR CA C 47 57.896 57.896 58.299 -0.403 25124 263 1 . 1 1 47 47 THR CB C 47 70.570 70.570 69.339 1.231 25124 264 1 . 1 1 47 47 THR H H 47 7.708 7.708 8.170 -0.462 25124 265 1 . 1 1 48 48 PRO HA H 48 3.944 3.944 3.933 0.011 25124 266 1 . 1 1 48 48 PRO C C 48 173.079 173.079 175.816 -2.737 25124 267 1 . 1 1 48 48 PRO CA C 48 60.922 60.922 62.053 -1.131 25124 268 1 . 1 1 48 48 PRO CB C 48 30.353 30.353 32.138 -1.785 25124 269 1 . 1 1 49 49 ASP N N 49 115.001 115.001 118.404 -3.403 25124 270 1 . 1 1 49 49 ASP HA H 49 4.460 4.460 4.577 -0.117 25124 271 1 . 1 1 49 49 ASP C C 49 175.591 175.591 175.520 0.071 25124 272 1 . 1 1 49 49 ASP CA C 49 56.504 56.504 55.143 1.361 25124 273 1 . 1 1 49 49 ASP CB C 49 42.625 42.625 42.595 0.030 25124 274 1 . 1 1 49 49 ASP H H 49 8.535 8.535 8.176 0.359 25124 275 1 . 1 1 50 50 VAL N N 50 111.832 111.832 116.061 -4.229 25124 276 1 . 1 1 50 50 VAL HA H 50 4.316 4.316 4.324 -0.008 25124 277 1 . 1 1 50 50 VAL C C 50 171.572 171.572 173.560 -1.988 25124 278 1 . 1 1 50 50 VAL CA C 50 60.398 60.398 61.360 -0.962 25124 279 1 . 1 1 50 50 VAL CB C 50 34.650 34.650 33.423 1.227 25124 280 1 . 1 1 50 50 VAL H H 50 7.194 7.194 7.270 -0.076 25124 281 1 . 1 1 51 51 LEU N N 51 127.785 127.785 127.361 0.424 25124 282 1 . 1 1 51 51 LEU HA H 51 5.376 5.376 5.323 0.053 25124 283 1 . 1 1 51 51 LEU C C 51 173.264 173.264 174.919 -1.655 25124 284 1 . 1 1 51 51 LEU CA C 51 53.137 53.137 53.520 -0.383 25124 285 1 . 1 1 51 51 LEU CB C 51 46.680 46.680 45.697 0.983 25124 286 1 . 1 1 51 51 LEU H H 51 8.049 8.049 8.347 -0.298 25124 287 1 . 1 1 52 52 LEU N N 52 128.943 128.943 125.518 3.425 25124 288 1 . 1 1 52 52 LEU HA H 52 5.312 5.312 5.144 0.168 25124 289 1 . 1 1 52 52 LEU C C 52 174.692 174.692 176.597 -1.905 25124 290 1 . 1 1 52 52 LEU CA C 52 54.313 54.313 53.575 0.738 25124 291 1 . 1 1 52 52 LEU CB C 52 43.961 43.961 41.648 2.313 25124 292 1 . 1 1 52 52 LEU H H 52 9.278 9.278 8.096 1.182 25124 293 1 . 1 1 53 53 SER N N 53 116.717 116.717 117.954 -1.237 25124 294 1 . 1 1 53 53 SER HA H 53 5.395 5.395 4.453 0.941 25124 295 1 . 1 1 53 53 SER C C 53 173.608 173.608 173.330 0.278 25124 296 1 . 1 1 53 53 SER CA C 53 56.226 56.226 58.651 -2.425 25124 297 1 . 1 1 53 53 SER CB C 53 65.753 65.753 64.714 1.039 25124 298 1 . 1 1 53 53 SER H H 53 9.256 9.256 7.985 1.271 25124 299 1 . 1 1 54 54 ASP N N 54 127.909 127.909 122.204 5.705 25124 300 1 . 1 1 54 54 ASP HA H 54 5.622 5.622 5.400 0.222 25124 301 1 . 1 1 54 54 ASP C C 54 175.723 175.723 175.747 -0.024 25124 302 1 . 1 1 54 54 ASP CA C 54 53.268 53.268 52.548 0.720 25124 303 1 . 1 1 54 54 ASP CB C 54 44.386 44.386 43.813 0.573 25124 304 1 . 1 1 54 54 ASP H H 54 8.219 8.219 8.528 -0.309 25124 305 1 . 1 1 55 55 ILE N N 55 117.015 117.015 118.245 -1.230 25124 306 1 . 1 1 55 55 ILE HA H 55 4.116 4.116 4.476 -0.360 25124 307 1 . 1 1 55 55 ILE C C 55 176.913 176.913 175.027 1.886 25124 308 1 . 1 1 55 55 ILE CA C 55 65.290 65.290 59.892 5.398 25124 309 1 . 1 1 55 55 ILE CB C 55 38.487 38.487 36.962 1.525 25124 310 1 . 1 1 55 55 ILE H H 55 7.812 7.812 8.262 -0.450 25124 311 1 . 1 1 56 56 ARG N N 56 117.365 117.365 121.804 -4.439 25124 312 1 . 1 1 56 56 ARG HA H 56 4.379 4.379 4.428 -0.049 25124 313 1 . 1 1 56 56 ARG C C 56 172.788 172.788 174.189 -1.401 25124 314 1 . 1 1 56 56 ARG CA C 56 57.034 57.034 56.211 0.823 25124 315 1 . 1 1 56 56 ARG CB C 56 27.600 27.600 30.026 -2.426 25124 316 1 . 1 1 56 56 ARG H H 56 8.991 8.991 7.854 1.137 25124 317 1 . 1 1 57 57 MET N N 57 129.539 129.539 118.930 10.609 25124 318 1 . 1 1 57 57 MET HA H 57 4.767 4.767 5.006 -0.239 25124 319 1 . 1 1 57 57 MET CA C 57 53.641 53.641 52.976 0.665 25124 320 1 . 1 1 57 57 MET CB C 57 36.484 36.484 33.834 2.650 25124 321 1 . 1 1 57 57 MET H H 57 7.501 7.501 7.840 -0.339 25124 322 1 . 1 1 58 58 PRO HA H 58 4.379 4.379 4.438 -0.059 25124 323 1 . 1 1 58 58 PRO C C 58 177.495 177.495 177.245 0.250 25124 324 1 . 1 1 58 58 PRO CA C 58 63.104 63.104 63.782 -0.678 25124 325 1 . 1 1 58 58 PRO CB C 58 31.922 31.922 31.683 0.239 25124 326 1 . 1 1 59 59 GLY N N 59 112.312 112.312 108.466 3.846 25124 327 1 . 1 1 59 59 GLY C C 59 173.793 173.793 174.280 -0.487 25124 328 1 . 1 1 59 59 GLY CA C 59 46.430 46.430 46.335 0.095 25124 329 1 . 1 1 59 59 GLY H H 59 8.656 8.656 8.486 0.170 25124 330 1 . 1 1 60 60 MET N N 60 124.343 124.343 118.289 6.054 25124 331 1 . 1 1 60 60 MET HA H 60 4.344 4.344 4.604 -0.260 25124 332 1 . 1 1 60 60 MET C C 60 174.190 174.190 174.710 -0.520 25124 333 1 . 1 1 60 60 MET CA C 60 55.871 55.871 55.798 0.073 25124 334 1 . 1 1 60 60 MET CB C 60 34.955 34.955 34.254 0.701 25124 335 1 . 1 1 60 60 MET H H 60 7.778 7.778 8.142 -0.364 25124 336 1 . 1 1 61 61 ASP N N 61 124.993 124.993 115.309 9.684 25124 337 1 . 1 1 61 61 ASP HA H 61 4.870 4.870 4.756 0.114 25124 338 1 . 1 1 61 61 ASP C C 61 176.966 176.966 175.327 1.639 25124 339 1 . 1 1 61 61 ASP CA C 61 53.490 53.490 53.732 -0.242 25124 340 1 . 1 1 61 61 ASP CB C 61 42.347 42.347 41.858 0.489 25124 341 1 . 1 1 61 61 ASP H H 61 8.378 8.378 7.749 0.629 25124 342 1 . 1 1 62 62 GLY N N 62 105.163 105.163 105.739 -0.576 25124 343 1 . 1 1 62 62 GLY C C 62 175.935 175.935 175.759 0.176 25124 344 1 . 1 1 62 62 GLY CA C 62 46.755 46.755 45.421 1.334 25124 345 1 . 1 1 62 62 GLY H H 62 10.153 10.153 8.548 1.605 25124 346 1 . 1 1 63 63 LEU N N 63 120.509 120.509 121.806 -1.297 25124 347 1 . 1 1 63 63 LEU HA H 63 4.293 4.293 4.161 0.132 25124 348 1 . 1 1 63 63 LEU C C 63 179.293 179.293 178.287 1.006 25124 349 1 . 1 1 63 63 LEU CA C 63 57.148 57.148 57.021 0.127 25124 350 1 . 1 1 63 63 LEU CB C 63 40.053 40.053 41.796 -1.743 25124 351 1 . 1 1 63 63 LEU H H 63 8.119 8.119 7.941 0.178 25124 352 1 . 1 1 64 64 ALA N N 64 126.234 126.234 121.756 4.478 25124 353 1 . 1 1 64 64 ALA HA H 64 4.112 4.112 4.072 0.040 25124 354 1 . 1 1 64 64 ALA C C 64 181.223 181.223 178.751 2.472 25124 355 1 . 1 1 64 64 ALA CA C 64 54.802 54.802 54.758 0.044 25124 356 1 . 1 1 64 64 ALA CB C 64 18.133 18.133 18.177 -0.044 25124 357 1 . 1 1 64 64 ALA H H 64 8.303 8.303 7.844 0.459 25124 358 1 . 1 1 65 65 LEU N N 65 120.067 120.067 118.078 1.989 25124 359 1 . 1 1 65 65 LEU HA H 65 4.044 4.044 4.248 -0.204 25124 360 1 . 1 1 65 65 LEU C C 65 177.548 177.548 178.451 -0.903 25124 361 1 . 1 1 65 65 LEU CA C 65 58.197 58.197 57.102 1.095 25124 362 1 . 1 1 65 65 LEU CB C 65 41.727 41.727 42.541 -0.814 25124 363 1 . 1 1 65 65 LEU H H 65 8.398 8.398 7.686 0.712 25124 364 1 . 1 1 66 66 LEU N N 66 120.890 120.890 120.268 0.622 25124 365 1 . 1 1 66 66 LEU HA H 66 3.848 3.848 4.026 -0.178 25124 366 1 . 1 1 66 66 LEU C C 66 177.230 177.230 178.331 -1.101 25124 367 1 . 1 1 66 66 LEU CA C 66 58.736 58.736 57.440 1.296 25124 368 1 . 1 1 66 66 LEU CB C 66 41.803 41.803 41.807 -0.004 25124 369 1 . 1 1 66 66 LEU H H 66 8.203 8.203 7.877 0.326 25124 370 1 . 1 1 67 67 LYS N N 67 116.919 116.919 118.157 -1.238 25124 371 1 . 1 1 67 67 LYS HA H 67 4.004 4.004 3.976 0.028 25124 372 1 . 1 1 67 67 LYS C C 67 179.452 179.452 178.849 0.603 25124 373 1 . 1 1 67 67 LYS CA C 67 59.733 59.733 58.933 0.800 25124 374 1 . 1 1 67 67 LYS CB C 67 32.415 32.415 32.099 0.316 25124 375 1 . 1 1 67 67 LYS H H 67 7.667 7.667 8.103 -0.436 25124 376 1 . 1 1 68 68 GLN N N 68 116.851 116.851 118.785 -1.934 25124 377 1 . 1 1 68 68 GLN HA H 68 4.046 4.046 4.088 -0.042 25124 378 1 . 1 1 68 68 GLN C C 68 179.319 179.319 178.198 1.121 25124 379 1 . 1 1 68 68 GLN CA C 68 58.820 58.820 58.882 -0.062 25124 380 1 . 1 1 68 68 GLN CB C 68 28.660 28.660 29.314 -0.654 25124 381 1 . 1 1 68 68 GLN H H 68 7.677 7.677 7.559 0.118 25124 382 1 . 1 1 69 69 ILE N N 69 120.670 120.670 115.656 5.014 25124 383 1 . 1 1 69 69 ILE HA H 69 3.564 3.564 3.720 -0.156 25124 384 1 . 1 1 69 69 ILE C C 69 177.786 177.786 177.842 -0.056 25124 385 1 . 1 1 69 69 ILE CA C 69 65.381 65.381 64.133 1.248 25124 386 1 . 1 1 69 69 ILE CB C 69 37.186 37.186 37.363 -0.177 25124 387 1 . 1 1 69 69 ILE H H 69 8.918 8.918 7.489 1.429 25124 388 1 . 1 1 70 70 LYS N N 70 118.002 118.002 118.219 -0.217 25124 389 1 . 1 1 70 70 LYS HA H 70 3.936 3.936 4.117 -0.181 25124 390 1 . 1 1 70 70 LYS C C 70 177.944 177.944 178.101 -0.157 25124 391 1 . 1 1 70 70 LYS CA C 70 57.351 57.351 58.175 -0.824 25124 392 1 . 1 1 70 70 LYS CB C 70 31.440 31.440 32.197 -0.757 25124 393 1 . 1 1 70 70 LYS H H 70 8.592 8.592 7.735 0.857 25124 394 1 . 1 1 71 71 GLN N N 71 114.891 114.891 116.800 -1.909 25124 395 1 . 1 1 71 71 GLN HA H 71 4.063 4.063 4.219 -0.156 25124 396 1 . 1 1 71 71 GLN C C 71 177.019 177.019 177.823 -0.804 25124 397 1 . 1 1 71 71 GLN CA C 71 58.007 58.007 57.103 0.904 25124 398 1 . 1 1 71 71 GLN CB C 71 29.168 29.168 29.402 -0.234 25124 399 1 . 1 1 71 71 GLN H H 71 7.266 7.266 7.547 -0.281 25124 400 1 . 1 1 72 72 ARG N N 72 116.364 116.364 119.163 -2.799 25124 401 1 . 1 1 72 72 ARG HA H 72 4.130 4.130 4.074 0.056 25124 402 1 . 1 1 72 72 ARG C C 72 175.803 175.803 176.035 -0.232 25124 403 1 . 1 1 72 72 ARG CA C 72 57.174 57.174 57.781 -0.607 25124 404 1 . 1 1 72 72 ARG CB C 72 32.638 32.638 31.017 1.621 25124 405 1 . 1 1 72 72 ARG H H 72 7.254 7.254 8.202 -0.948 25124 406 1 . 1 1 73 73 HIS N N 73 116.981 116.981 111.660 5.321 25124 407 1 . 1 1 73 73 HIS HA H 73 4.994 4.994 4.951 0.043 25124 408 1 . 1 1 73 73 HIS CA C 73 53.252 53.252 53.258 -0.006 25124 409 1 . 1 1 73 73 HIS CB C 73 31.026 31.026 29.698 1.328 25124 410 1 . 1 1 73 73 HIS H H 73 8.828 8.828 7.342 1.486 25124 411 1 . 1 1 74 74 PRO HA H 74 4.435 4.435 4.466 -0.031 25124 412 1 . 1 1 74 74 PRO C C 74 178.156 178.156 177.151 1.005 25124 413 1 . 1 1 74 74 PRO CA C 74 65.284 65.284 64.128 1.156 25124 414 1 . 1 1 74 74 PRO CB C 74 32.130 32.130 31.938 0.192 25124 415 1 . 1 1 75 75 MET N N 75 114.676 114.676 116.627 -1.951 25124 416 1 . 1 1 75 75 MET HA H 75 4.587 4.587 4.415 0.172 25124 417 1 . 1 1 75 75 MET C C 75 176.067 176.067 175.897 0.170 25124 418 1 . 1 1 75 75 MET CA C 75 54.304 54.304 56.105 -1.801 25124 419 1 . 1 1 75 75 MET CB C 75 31.623 31.623 32.636 -1.013 25124 420 1 . 1 1 75 75 MET H H 75 8.648 8.648 7.954 0.694 25124 421 1 . 1 1 76 76 LEU N N 76 125.720 125.720 119.210 6.510 25124 422 1 . 1 1 76 76 LEU HA H 76 4.293 4.293 4.488 -0.195 25124 423 1 . 1 1 76 76 LEU CA C 76 53.472 53.472 52.053 1.419 25124 424 1 . 1 1 76 76 LEU CB C 76 43.540 43.540 42.238 1.302 25124 425 1 . 1 1 76 76 LEU H H 76 7.342 7.342 7.381 -0.039 25124 426 1 . 1 1 77 77 PRO HA H 77 4.440 4.440 4.483 -0.043 25124 427 1 . 1 1 77 77 PRO C C 77 175.062 175.062 175.508 -0.446 25124 428 1 . 1 1 77 77 PRO CA C 77 62.841 62.841 62.684 0.157 25124 429 1 . 1 1 77 77 PRO CB C 77 31.903 31.903 32.129 -0.226 25124 430 1 . 1 1 78 78 VAL N N 78 123.116 123.116 121.235 1.881 25124 431 1 . 1 1 78 78 VAL HA H 78 5.093 5.093 4.396 0.697 25124 432 1 . 1 1 78 78 VAL C C 78 175.776 175.776 174.630 1.146 25124 433 1 . 1 1 78 78 VAL CA C 78 60.083 60.083 61.245 -1.162 25124 434 1 . 1 1 78 78 VAL CB C 78 34.245 34.245 35.596 -1.350 25124 435 1 . 1 1 78 78 VAL H H 78 8.369 8.369 8.283 0.086 25124 436 1 . 1 1 79 79 ILE N N 79 129.166 129.166 123.211 5.955 25124 437 1 . 1 1 79 79 ILE HA H 79 4.499 4.499 4.575 -0.076 25124 438 1 . 1 1 79 79 ILE C C 79 174.295 174.295 174.992 -0.697 25124 439 1 . 1 1 79 79 ILE CA C 79 60.030 60.030 60.022 0.008 25124 440 1 . 1 1 79 79 ILE CB C 79 40.222 40.222 41.261 -1.039 25124 441 1 . 1 1 79 79 ILE H H 79 9.436 9.436 8.003 1.433 25124 442 1 . 1 1 80 80 ILE N N 80 128.234 128.234 125.960 2.274 25124 443 1 . 1 1 80 80 ILE HA H 80 5.253 5.253 4.413 0.840 25124 444 1 . 1 1 80 80 ILE C C 80 173.449 173.449 174.574 -1.125 25124 445 1 . 1 1 80 80 ILE CA C 80 56.265 56.265 59.859 -3.594 25124 446 1 . 1 1 80 80 ILE CB C 80 38.176 38.176 37.849 0.327 25124 447 1 . 1 1 80 80 ILE H H 80 7.920 7.920 8.196 -0.276 25124 448 1 . 1 1 81 81 MET N N 81 124.079 124.079 127.969 -3.890 25124 449 1 . 1 1 81 81 MET HA H 81 5.489 5.489 4.720 0.769 25124 450 1 . 1 1 81 81 MET C C 81 173.820 173.820 173.839 -0.019 25124 451 1 . 1 1 81 81 MET CA C 81 52.889 52.889 54.705 -1.816 25124 452 1 . 1 1 81 81 MET CB C 81 36.663 36.663 35.070 1.593 25124 453 1 . 1 1 81 81 MET H H 81 9.028 9.028 8.406 0.622 25124 454 1 . 1 1 82 82 THR N N 82 108.434 108.434 118.398 -9.964 25124 455 1 . 1 1 82 82 THR HA H 82 5.134 5.134 4.594 0.540 25124 456 1 . 1 1 82 82 THR C C 82 172.550 172.550 172.210 0.340 25124 457 1 . 1 1 82 82 THR CA C 82 60.642 60.642 61.096 -0.454 25124 458 1 . 1 1 82 82 THR CB C 82 68.843 68.843 70.635 -1.792 25124 459 1 . 1 1 82 82 THR H H 82 7.098 7.098 8.123 -1.025 25124 460 1 . 1 1 83 83 ALA N N 83 128.991 128.991 123.155 5.836 25124 461 1 . 1 1 83 83 ALA HA H 83 4.678 4.678 4.795 -0.117 25124 462 1 . 1 1 83 83 ALA C C 83 177.812 177.812 177.613 0.199 25124 463 1 . 1 1 83 83 ALA CA C 83 52.457 52.457 50.712 1.745 25124 464 1 . 1 1 83 83 ALA CB C 83 19.396 19.396 20.747 -1.351 25124 465 1 . 1 1 83 83 ALA H H 83 8.590 8.590 8.330 0.260 25124 466 1 . 1 1 84 84 HIS N N 84 121.904 121.904 115.228 6.676 25124 467 1 . 1 1 84 84 HIS HA H 84 4.576 4.576 4.294 0.282 25124 468 1 . 1 1 84 84 HIS C C 84 175.512 175.512 176.267 -0.755 25124 469 1 . 1 1 84 84 HIS CA C 84 56.674 56.674 57.897 -1.223 25124 470 1 . 1 1 84 84 HIS CB C 84 29.589 29.589 29.527 0.062 25124 471 1 . 1 1 84 84 HIS H H 84 8.865 8.865 8.751 0.114 25124 472 1 . 1 1 85 85 SER N N 85 114.679 114.679 115.731 -1.052 25124 473 1 . 1 1 85 85 SER HA H 85 4.303 4.303 4.074 0.229 25124 474 1 . 1 1 85 85 SER C C 85 174.560 174.560 174.284 0.276 25124 475 1 . 1 1 85 85 SER CA C 85 58.970 58.970 59.582 -0.612 25124 476 1 . 1 1 85 85 SER CB C 85 62.829 62.829 63.151 -0.322 25124 477 1 . 1 1 85 85 SER H H 85 8.016 8.016 7.794 0.222 25124 478 1 . 1 1 86 86 ASP N N 86 122.325 122.325 121.382 0.943 25124 479 1 . 1 1 86 86 ASP HA H 86 4.761 4.761 4.441 0.320 25124 480 1 . 1 1 86 86 ASP C C 86 176.094 176.094 176.669 -0.575 25124 481 1 . 1 1 86 86 ASP CA C 86 53.627 53.627 55.356 -1.729 25124 482 1 . 1 1 86 86 ASP CB C 86 40.942 40.942 40.424 0.518 25124 483 1 . 1 1 86 86 ASP H H 86 8.054 8.054 8.474 -0.420 25124 484 1 . 1 1 87 87 LEU N N 87 122.041 122.041 120.635 1.406 25124 485 1 . 1 1 87 87 LEU HA H 87 4.069 4.069 4.043 0.026 25124 486 1 . 1 1 87 87 LEU C C 87 177.892 177.892 177.460 0.432 25124 487 1 . 1 1 87 87 LEU CA C 87 57.182 57.182 57.091 0.091 25124 488 1 . 1 1 87 87 LEU CB C 87 42.015 42.015 42.007 0.008 25124 489 1 . 1 1 87 87 LEU H H 87 8.005 8.005 7.571 0.434 25124 490 1 . 1 1 88 88 ASP N N 88 118.050 118.050 120.202 -2.152 25124 491 1 . 1 1 88 88 ASP HA H 88 4.370 4.370 4.240 0.130 25124 492 1 . 1 1 88 88 ASP C C 88 178.103 178.103 177.559 0.544 25124 493 1 . 1 1 88 88 ASP CA C 88 56.342 56.342 57.317 -0.975 25124 494 1 . 1 1 88 88 ASP CB C 88 40.280 40.280 40.130 0.150 25124 495 1 . 1 1 88 88 ASP H H 88 8.243 8.243 8.535 -0.292 25124 496 1 . 1 1 89 89 ALA N N 89 122.780 122.780 121.188 1.592 25124 497 1 . 1 1 89 89 ALA HA H 89 4.038 4.038 4.056 -0.018 25124 498 1 . 1 1 89 89 ALA C C 89 178.526 178.526 178.831 -0.305 25124 499 1 . 1 1 89 89 ALA CA C 89 54.655 54.655 54.207 0.448 25124 500 1 . 1 1 89 89 ALA CB C 89 18.809 18.809 18.368 0.441 25124 501 1 . 1 1 89 89 ALA H H 89 7.890 7.890 7.641 0.249 25124 502 1 . 1 1 90 90 ALA N N 90 120.040 120.040 120.895 -0.855 25124 503 1 . 1 1 90 90 ALA HA H 90 3.254 3.254 3.711 -0.457 25124 504 1 . 1 1 90 90 ALA C C 90 178.976 178.976 179.222 -0.246 25124 505 1 . 1 1 90 90 ALA CA C 90 55.050 55.050 54.691 0.359 25124 506 1 . 1 1 90 90 ALA CB C 90 17.725 17.725 18.035 -0.310 25124 507 1 . 1 1 90 90 ALA H H 90 7.513 7.513 7.844 -0.331 25124 508 1 . 1 1 91 91 VAL N N 91 116.635 116.635 117.716 -1.081 25124 509 1 . 1 1 91 91 VAL HA H 91 3.637 3.637 3.835 -0.198 25124 510 1 . 1 1 91 91 VAL C C 91 178.632 178.632 177.849 0.783 25124 511 1 . 1 1 91 91 VAL CA C 91 65.971 65.971 65.651 0.320 25124 512 1 . 1 1 91 91 VAL CB C 91 31.623 31.623 31.530 0.093 25124 513 1 . 1 1 91 91 VAL H H 91 7.877 7.877 7.385 0.492 25124 514 1 . 1 1 92 92 SER N N 92 115.439 115.439 115.715 -0.276 25124 515 1 . 1 1 92 92 SER HA H 92 4.215 4.215 4.053 0.162 25124 516 1 . 1 1 92 92 SER C C 92 175.961 175.961 176.551 -0.590 25124 517 1 . 1 1 92 92 SER CA C 92 61.401 61.401 61.660 -0.259 25124 518 1 . 1 1 92 92 SER CB C 92 62.966 62.966 62.928 0.038 25124 519 1 . 1 1 92 92 SER H H 92 7.912 7.912 7.592 0.320 25124 520 1 . 1 1 93 93 ALA N N 93 122.647 122.647 123.610 -0.963 25124 521 1 . 1 1 93 93 ALA HA H 93 3.786 3.786 4.012 -0.226 25124 522 1 . 1 1 93 93 ALA C C 93 179.293 179.293 179.709 -0.416 25124 523 1 . 1 1 93 93 ALA CA C 93 55.172 55.172 54.871 0.301 25124 524 1 . 1 1 93 93 ALA CB C 93 17.161 17.161 17.925 -0.765 25124 525 1 . 1 1 93 93 ALA H H 93 8.199 8.199 8.122 0.077 25124 526 1 . 1 1 94 94 TYR N N 94 117.796 117.796 118.270 -0.474 25124 527 1 . 1 1 94 94 TYR HA H 94 4.283 4.283 4.170 0.113 25124 528 1 . 1 1 94 94 TYR C C 94 179.954 179.954 178.479 1.475 25124 529 1 . 1 1 94 94 TYR CA C 94 61.216 61.216 60.603 0.613 25124 530 1 . 1 1 94 94 TYR CB C 94 37.716 37.716 37.665 0.051 25124 531 1 . 1 1 94 94 TYR H H 94 8.065 8.065 7.463 0.602 25124 532 1 . 1 1 95 95 GLN N N 95 120.057 120.057 116.802 3.255 25124 533 1 . 1 1 95 95 GLN HA H 95 4.005 4.005 4.097 -0.092 25124 534 1 . 1 1 95 95 GLN C C 95 177.680 177.680 177.929 -0.249 25124 535 1 . 1 1 95 95 GLN CA C 95 58.471 58.471 58.116 0.355 25124 536 1 . 1 1 95 95 GLN CB C 95 28.334 28.334 28.395 -0.061 25124 537 1 . 1 1 95 95 GLN H H 95 8.513 8.513 7.730 0.783 25124 538 1 . 1 1 96 96 GLN N N 96 115.323 115.323 117.001 -1.678 25124 539 1 . 1 1 96 96 GLN HA H 96 4.321 4.321 4.308 0.013 25124 540 1 . 1 1 96 96 GLN C C 96 175.538 175.538 176.421 -0.883 25124 541 1 . 1 1 96 96 GLN CA C 96 55.379 55.379 56.295 -0.916 25124 542 1 . 1 1 96 96 GLN CB C 96 28.915 28.915 29.848 -0.933 25124 543 1 . 1 1 96 96 GLN H H 96 7.774 7.774 7.773 0.001 25124 544 1 . 1 1 97 97 GLY N N 97 104.173 104.173 106.161 -1.988 25124 545 1 . 1 1 97 97 GLY C C 97 175.168 175.168 173.612 1.556 25124 546 1 . 1 1 97 97 GLY CA C 97 45.491 45.491 44.630 0.861 25124 547 1 . 1 1 97 97 GLY H H 97 7.576 7.576 7.646 -0.070 25124 548 1 . 1 1 98 98 ALA N N 98 123.484 123.484 121.424 2.060 25124 549 1 . 1 1 98 98 ALA HA H 98 4.266 4.266 4.418 -0.152 25124 550 1 . 1 1 98 98 ALA C C 98 176.067 176.067 176.533 -0.466 25124 551 1 . 1 1 98 98 ALA CA C 98 53.008 53.008 52.155 0.853 25124 552 1 . 1 1 98 98 ALA CB C 98 18.556 18.556 19.978 -1.422 25124 553 1 . 1 1 98 98 ALA H H 98 8.358 8.358 7.687 0.671 25124 554 1 . 1 1 99 99 PHE N N 99 123.551 123.551 120.739 2.812 25124 555 1 . 1 1 99 99 PHE HA H 99 4.259 4.259 4.668 -0.409 25124 556 1 . 1 1 99 99 PHE C C 99 175.432 175.432 175.546 -0.114 25124 557 1 . 1 1 99 99 PHE CA C 99 60.274 60.274 59.677 0.597 25124 558 1 . 1 1 99 99 PHE CB C 99 40.375 40.375 41.067 -0.692 25124 559 1 . 1 1 99 99 PHE H H 99 9.477 9.477 8.419 1.058 25124 560 1 . 1 1 100 100 ASP N N 100 110.678 110.678 114.552 -3.874 25124 561 1 . 1 1 100 100 ASP HA H 100 4.547 4.547 4.962 -0.415 25124 562 1 . 1 1 100 100 ASP C C 100 173.053 173.053 173.746 -0.693 25124 563 1 . 1 1 100 100 ASP CA C 100 52.527 52.527 54.043 -1.516 25124 564 1 . 1 1 100 100 ASP CB C 100 44.789 44.789 43.750 1.039 25124 565 1 . 1 1 100 100 ASP H H 100 7.683 7.683 8.070 -0.387 25124 566 1 . 1 1 101 101 TYR N N 101 122.174 122.174 121.594 0.580 25124 567 1 . 1 1 101 101 TYR HA H 101 5.425 5.425 5.256 0.169 25124 568 1 . 1 1 101 101 TYR C C 101 172.550 172.550 174.459 -1.909 25124 569 1 . 1 1 101 101 TYR CA C 101 55.865 55.865 56.331 -0.466 25124 570 1 . 1 1 101 101 TYR CB C 101 41.760 41.760 39.556 2.204 25124 571 1 . 1 1 101 101 TYR H H 101 9.874 9.874 8.643 1.231 25124 572 1 . 1 1 102 102 LEU N N 102 129.337 129.337 130.099 -0.762 25124 573 1 . 1 1 102 102 LEU HA H 102 4.677 4.677 4.648 0.029 25124 574 1 . 1 1 102 102 LEU CA C 102 50.418 50.418 50.770 -0.352 25124 575 1 . 1 1 102 102 LEU CB C 102 45.066 45.066 43.291 1.775 25124 576 1 . 1 1 102 102 LEU H H 102 8.974 8.974 7.984 0.990 25124 577 1 . 1 1 103 103 PRO HA H 103 4.552 4.552 4.408 0.144 25124 578 1 . 1 1 103 103 PRO C C 103 176.067 176.067 175.601 0.466 25124 579 1 . 1 1 103 103 PRO CA C 103 61.951 61.951 62.253 -0.302 25124 580 1 . 1 1 103 103 PRO CB C 103 31.829 31.829 32.333 -0.504 25124 581 1 . 1 1 104 104 LYS N N 104 118.403 118.403 120.229 -1.826 25124 582 1 . 1 1 104 104 LYS HA H 104 4.459 4.459 4.989 -0.530 25124 583 1 . 1 1 104 104 LYS CA C 104 53.204 53.204 53.462 -0.258 25124 584 1 . 1 1 104 104 LYS CB C 104 34.500 34.500 31.909 2.591 25124 585 1 . 1 1 104 104 LYS H H 104 8.013 8.013 8.195 -0.182 25124 586 1 . 1 1 105 105 PRO HA H 105 4.258 4.258 4.516 -0.258 25124 587 1 . 1 1 105 105 PRO C C 105 174.930 174.930 175.960 -1.030 25124 588 1 . 1 1 105 105 PRO CA C 105 62.213 62.213 63.117 -0.904 25124 589 1 . 1 1 105 105 PRO CB C 105 34.151 34.151 31.920 2.231 25124 590 1 . 1 1 106 106 PHE N N 106 116.796 116.796 119.967 -3.171 25124 591 1 . 1 1 106 106 PHE HA H 106 5.169 5.169 4.758 0.411 25124 592 1 . 1 1 106 106 PHE C C 106 175.194 175.194 174.559 0.635 25124 593 1 . 1 1 106 106 PHE CA C 106 53.244 53.244 55.551 -2.307 25124 594 1 . 1 1 106 106 PHE CB C 106 40.477 40.477 40.964 -0.487 25124 595 1 . 1 1 106 106 PHE H H 106 7.399 7.399 7.565 -0.166 25124 596 1 . 1 1 107 107 ASP N N 107 122.212 122.212 122.932 -0.720 25124 597 1 . 1 1 107 107 ASP HA H 107 4.823 4.823 4.872 -0.049 25124 598 1 . 1 1 107 107 ASP C C 107 177.812 177.812 177.428 0.384 25124 599 1 . 1 1 107 107 ASP CA C 107 53.392 53.392 53.412 -0.020 25124 600 1 . 1 1 107 107 ASP CB C 107 42.455 42.455 41.445 1.010 25124 601 1 . 1 1 107 107 ASP H H 107 9.047 9.047 8.636 0.411 25124 602 1 . 1 1 108 108 ILE N N 108 127.963 127.963 122.722 5.241 25124 603 1 . 1 1 108 108 ILE HA H 108 3.949 3.949 3.960 -0.011 25124 604 1 . 1 1 108 108 ILE C C 108 176.226 176.226 176.905 -0.679 25124 605 1 . 1 1 108 108 ILE CA C 108 63.105 63.105 64.086 -0.981 25124 606 1 . 1 1 108 108 ILE CB C 108 37.665 37.665 37.286 0.379 25124 607 1 . 1 1 108 108 ILE H H 108 8.898 8.898 8.443 0.455 25124 608 1 . 1 1 109 109 ASP N N 109 119.804 119.804 120.854 -1.050 25124 609 1 . 1 1 109 109 ASP HA H 109 4.393 4.393 4.328 0.065 25124 610 1 . 1 1 109 109 ASP C C 109 179.848 179.848 178.767 1.081 25124 611 1 . 1 1 109 109 ASP CA C 109 57.483 57.483 58.032 -0.548 25124 612 1 . 1 1 109 109 ASP CB C 109 39.986 39.986 40.385 -0.399 25124 613 1 . 1 1 109 109 ASP H H 109 8.098 8.098 8.482 -0.384 25124 614 1 . 1 1 110 110 GLU N N 110 121.667 121.667 118.800 2.867 25124 615 1 . 1 1 110 110 GLU HA H 110 4.085 4.085 4.316 -0.231 25124 616 1 . 1 1 110 110 GLU C C 110 178.976 178.976 178.196 0.780 25124 617 1 . 1 1 110 110 GLU CA C 110 58.790 58.790 58.107 0.683 25124 618 1 . 1 1 110 110 GLU CB C 110 29.330 29.330 29.898 -0.568 25124 619 1 . 1 1 110 110 GLU H H 110 8.059 8.059 8.121 -0.062 25124 620 1 . 1 1 111 111 ALA N N 111 122.208 122.208 123.266 -1.058 25124 621 1 . 1 1 111 111 ALA HA H 111 3.758 3.758 4.173 -0.415 25124 622 1 . 1 1 111 111 ALA C C 111 178.605 178.605 179.483 -0.878 25124 623 1 . 1 1 111 111 ALA CA C 111 55.320 55.320 55.075 0.245 25124 624 1 . 1 1 111 111 ALA CB C 111 18.174 18.174 18.516 -0.342 25124 625 1 . 1 1 111 111 ALA H H 111 7.903 7.903 7.574 0.329 25124 626 1 . 1 1 112 112 VAL N N 112 116.429 116.429 118.411 -1.982 25124 627 1 . 1 1 112 112 VAL HA H 112 3.194 3.194 3.605 -0.411 25124 628 1 . 1 1 112 112 VAL C C 112 177.230 177.230 177.822 -0.592 25124 629 1 . 1 1 112 112 VAL CA C 112 67.154 67.154 66.907 0.247 25124 630 1 . 1 1 112 112 VAL CB C 112 31.538 31.538 31.299 0.239 25124 631 1 . 1 1 112 112 VAL H H 112 8.032 8.032 8.573 -0.541 25124 632 1 . 1 1 113 113 ALA N N 113 120.198 120.198 120.084 0.114 25124 633 1 . 1 1 113 113 ALA HA H 113 4.159 4.159 4.246 -0.087 25124 634 1 . 1 1 113 113 ALA C C 113 180.589 180.589 179.153 1.436 25124 635 1 . 1 1 113 113 ALA CA C 113 54.902 54.902 54.200 0.702 25124 636 1 . 1 1 113 113 ALA CB C 113 17.980 17.980 18.751 -0.771 25124 637 1 . 1 1 113 113 ALA H H 113 7.723 7.723 7.820 -0.097 25124 638 1 . 1 1 114 114 LEU N N 114 120.742 120.742 120.144 0.598 25124 639 1 . 1 1 114 114 LEU HA H 114 4.102 4.102 4.229 -0.127 25124 640 1 . 1 1 114 114 LEU C C 114 178.605 178.605 178.265 0.340 25124 641 1 . 1 1 114 114 LEU CA C 114 58.181 58.181 57.258 0.923 25124 642 1 . 1 1 114 114 LEU CB C 114 42.032 42.032 42.125 -0.093 25124 643 1 . 1 1 114 114 LEU H H 114 7.928 7.928 7.423 0.505 25124 644 1 . 1 1 115 115 VAL N N 115 119.478 119.478 118.668 0.810 25124 645 1 . 1 1 115 115 VAL HA H 115 3.250 3.250 3.529 -0.279 25124 646 1 . 1 1 115 115 VAL C C 115 177.548 177.548 177.972 -0.424 25124 647 1 . 1 1 115 115 VAL CA C 115 67.168 67.168 66.773 0.395 25124 648 1 . 1 1 115 115 VAL CB C 115 30.760 30.760 31.322 -0.562 25124 649 1 . 1 1 115 115 VAL H H 115 7.846 7.846 8.358 -0.512 25124 650 1 . 1 1 116 116 GLU N N 116 117.570 117.570 117.254 0.316 25124 651 1 . 1 1 116 116 GLU HA H 116 3.809 3.809 4.119 -0.310 25124 652 1 . 1 1 116 116 GLU C C 116 179.557 179.557 178.582 0.975 25124 653 1 . 1 1 116 116 GLU CA C 116 59.974 59.974 58.250 1.724 25124 654 1 . 1 1 116 116 GLU CB C 116 29.084 29.084 29.000 0.084 25124 655 1 . 1 1 116 116 GLU H H 116 8.462 8.462 7.955 0.508 25124 656 1 . 1 1 117 117 ARG N N 117 120.263 120.263 120.145 0.118 25124 657 1 . 1 1 117 117 ARG HA H 117 4.109 4.109 4.077 0.032 25124 658 1 . 1 1 117 117 ARG C C 117 178.500 178.500 178.223 0.277 25124 659 1 . 1 1 117 117 ARG CA C 117 59.411 59.411 59.556 -0.145 25124 660 1 . 1 1 117 117 ARG CB C 117 30.414 30.414 30.198 0.216 25124 661 1 . 1 1 117 117 ARG H H 117 8.090 8.090 7.616 0.474 25124 662 1 . 1 1 118 118 ALA N N 118 122.157 122.157 119.469 2.688 25124 663 1 . 1 1 118 118 ALA HA H 118 3.467 3.467 4.231 -0.764 25124 664 1 . 1 1 118 118 ALA C C 118 178.632 178.632 179.486 -0.854 25124 665 1 . 1 1 118 118 ALA CA C 118 54.739 54.739 53.986 0.753 25124 666 1 . 1 1 118 118 ALA CB C 118 18.280 18.280 18.337 -0.057 25124 667 1 . 1 1 118 118 ALA H H 118 8.005 8.005 7.228 0.777 25124 668 1 . 1 1 119 119 ILE N N 119 115.429 115.429 119.378 -3.949 25124 669 1 . 1 1 119 119 ILE HA H 119 3.706 3.706 3.769 -0.063 25124 670 1 . 1 1 119 119 ILE C C 119 177.442 177.442 178.162 -0.720 25124 671 1 . 1 1 119 119 ILE CA C 119 63.910 63.910 64.781 -0.871 25124 672 1 . 1 1 119 119 ILE CB C 119 37.939 37.939 37.586 0.353 25124 673 1 . 1 1 119 119 ILE H H 119 7.788 7.788 7.467 0.321 25124 674 1 . 1 1 120 120 SER N N 120 114.902 114.902 114.987 -0.085 25124 675 1 . 1 1 120 120 SER HA H 120 4.285 4.285 4.146 0.139 25124 676 1 . 1 1 120 120 SER C C 120 175.142 175.142 176.280 -1.138 25124 677 1 . 1 1 120 120 SER CA C 120 59.871 59.871 61.357 -1.486 25124 678 1 . 1 1 120 120 SER CB C 120 63.522 63.522 63.075 0.447 25124 679 1 . 1 1 120 120 SER H H 120 7.881 7.881 8.511 -0.630 25124 680 1 . 1 1 121 121 HIS N N 121 119.927 119.927 120.598 -0.671 25124 681 1 . 1 1 121 121 HIS HA H 121 4.439 4.439 4.264 0.175 25124 682 1 . 1 1 121 121 HIS C C 121 174.957 174.957 175.841 -0.884 25124 683 1 . 1 1 121 121 HIS CA C 121 57.362 57.362 58.537 -1.175 25124 684 1 . 1 1 121 121 HIS CB C 121 29.496 29.496 29.964 -0.468 25124 685 1 . 1 1 121 121 HIS H H 121 7.960 7.960 7.869 0.091 25124 686 1 . 1 1 122 122 TYR N N 122 118.745 118.745 116.473 2.272 25124 687 1 . 1 1 122 122 TYR HA H 122 4.455 4.455 4.675 -0.220 25124 688 1 . 1 1 122 122 TYR C C 122 175.353 175.353 175.115 0.238 25124 689 1 . 1 1 122 122 TYR CA C 122 58.528 58.528 57.255 1.273 25124 690 1 . 1 1 122 122 TYR CB C 122 38.726 38.726 38.273 0.453 25124 691 1 . 1 1 122 122 TYR H H 122 7.776 7.776 7.605 0.171 25124 692 1 . 1 1 123 123 GLN N N 123 121.424 121.424 119.902 1.522 25124 693 1 . 1 1 123 123 GLN HA H 123 4.294 4.294 4.179 0.115 25124 694 1 . 1 1 123 123 GLN C C 123 174.560 174.560 175.139 -0.579 25124 695 1 . 1 1 123 123 GLN CA C 123 55.658 55.658 56.159 -0.501 25124 696 1 . 1 1 123 123 GLN CB C 123 29.877 29.877 29.432 0.445 25124 697 1 . 1 1 123 123 GLN H H 123 7.904 7.904 7.761 0.143 25124 stop_ save_