data_17551 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17551 _Entry.PDB_ID 2LBA 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 17551 _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 PHE N N 2 114.421 114.421 119.549 -5.128 17551 2 1 1 . 1 1 2 2 PHE HA H 2 4.205 4.205 4.953 -0.748 17551 3 1 1 . 1 1 2 2 PHE C C 2 177.675 177.675 176.320 1.355 17551 4 1 1 . 1 1 2 2 PHE CA C 2 59.748 59.748 58.712 1.036 17551 5 1 1 . 1 1 2 2 PHE CB C 2 41.014 41.014 39.439 1.575 17551 6 1 1 . 1 1 2 2 PHE H H 2 9.501 9.501 8.592 0.909 17551 7 1 1 . 1 1 3 3 THR N N 3 118.304 118.304 114.519 3.785 17551 8 1 1 . 1 1 3 3 THR HA H 3 4.021 4.021 4.344 -0.323 17551 9 1 1 . 1 1 3 3 THR C C 3 173.811 173.811 175.152 -1.341 17551 10 1 1 . 1 1 3 3 THR CA C 3 63.646 63.646 64.040 -0.394 17551 11 1 1 . 1 1 3 3 THR CB C 3 69.230 69.230 68.853 0.377 17551 12 1 1 . 1 1 3 3 THR H H 3 7.721 7.721 8.112 -0.391 17551 13 1 1 . 1 1 4 4 GLY N N 4 113.320 113.320 113.363 -0.043 17551 14 1 1 . 1 1 4 4 GLY C C 4 169.382 169.382 171.846 -2.464 17551 15 1 1 . 1 1 4 4 GLY CA C 4 44.343 44.343 44.691 -0.348 17551 16 1 1 . 1 1 4 4 GLY H H 4 8.881 8.881 8.429 0.452 17551 17 1 1 . 1 1 5 5 LYS N N 5 120.330 120.330 120.232 0.098 17551 18 1 1 . 1 1 5 5 LYS HA H 5 5.255 5.255 4.991 0.264 17551 19 1 1 . 1 1 5 5 LYS C C 5 174.306 174.306 174.765 -0.459 17551 20 1 1 . 1 1 5 5 LYS CA C 5 54.232 54.232 54.795 -0.563 17551 21 1 1 . 1 1 5 5 LYS CB C 5 35.137 35.137 34.857 0.280 17551 22 1 1 . 1 1 5 5 LYS H H 5 7.914 7.914 7.888 0.026 17551 23 1 1 . 1 1 6 6 TYR N N 6 122.260 122.260 123.075 -0.815 17551 24 1 1 . 1 1 6 6 TYR HA H 6 5.617 5.617 5.819 -0.202 17551 25 1 1 . 1 1 6 6 TYR C C 6 174.519 174.519 175.541 -1.022 17551 26 1 1 . 1 1 6 6 TYR CA C 6 55.158 55.158 56.022 -0.864 17551 27 1 1 . 1 1 6 6 TYR CB C 6 41.637 41.637 42.285 -0.648 17551 28 1 1 . 1 1 6 6 TYR H H 6 9.736 9.736 8.664 1.072 17551 29 1 1 . 1 1 7 7 GLU N N 7 122.025 122.025 121.346 0.679 17551 30 1 1 . 1 1 7 7 GLU HA H 7 5.096 5.096 5.366 -0.270 17551 31 1 1 . 1 1 7 7 GLU C C 7 174.888 174.888 175.596 -0.708 17551 32 1 1 . 1 1 7 7 GLU CA C 7 53.988 53.988 53.918 0.070 17551 33 1 1 . 1 1 7 7 GLU CB C 7 33.716 33.716 34.535 -0.819 17551 34 1 1 . 1 1 7 7 GLU H H 7 9.461 9.461 8.723 0.738 17551 35 1 1 . 1 1 8 8 PHE N N 8 126.529 126.529 124.356 2.173 17551 36 1 1 . 1 1 8 8 PHE HA H 8 4.599 4.599 4.290 0.309 17551 37 1 1 . 1 1 8 8 PHE C C 8 172.999 172.999 175.444 -2.445 17551 38 1 1 . 1 1 8 8 PHE CA C 8 59.847 59.847 60.984 -1.137 17551 39 1 1 . 1 1 8 8 PHE CB C 8 40.687 40.687 39.450 1.237 17551 40 1 1 . 1 1 8 8 PHE H H 8 7.986 7.986 8.620 -0.634 17551 41 1 1 . 1 1 9 9 GLU N N 9 129.046 129.046 127.032 2.014 17551 42 1 1 . 1 1 9 9 GLU HA H 9 4.306 4.306 4.670 -0.364 17551 43 1 1 . 1 1 9 9 GLU C C 9 174.528 174.528 176.060 -1.532 17551 44 1 1 . 1 1 9 9 GLU CA C 9 56.545 56.545 56.952 -0.407 17551 45 1 1 . 1 1 9 9 GLU CB C 9 32.798 32.798 32.472 0.326 17551 46 1 1 . 1 1 9 9 GLU H H 9 9.151 9.151 8.735 0.416 17551 47 1 1 . 1 1 10 10 SER N N 10 111.041 111.041 113.551 -2.510 17551 48 1 1 . 1 1 10 10 SER HA H 10 4.258 4.258 4.971 -0.713 17551 49 1 1 . 1 1 10 10 SER C C 10 171.216 171.216 172.110 -0.894 17551 50 1 1 . 1 1 10 10 SER CA C 10 57.930 57.930 57.617 0.313 17551 51 1 1 . 1 1 10 10 SER CB C 10 64.720 64.720 66.394 -1.674 17551 52 1 1 . 1 1 10 10 SER H H 10 7.612 7.612 7.823 -0.211 17551 53 1 1 . 1 1 11 11 ASP N N 11 118.058 118.058 118.494 -0.436 17551 54 1 1 . 1 1 11 11 ASP HA H 11 5.500 5.500 5.149 0.351 17551 55 1 1 . 1 1 11 11 ASP C C 11 174.845 174.845 174.635 0.210 17551 56 1 1 . 1 1 11 11 ASP CA C 11 51.633 51.633 53.340 -1.707 17551 57 1 1 . 1 1 11 11 ASP H H 11 8.632 8.632 8.437 0.195 17551 58 1 1 . 1 1 12 12 GLU N N 12 117.523 117.523 120.037 -2.514 17551 59 1 1 . 1 1 12 12 GLU HA H 12 4.782 4.782 4.664 0.118 17551 60 1 1 . 1 1 12 12 GLU C C 12 175.293 175.293 176.110 -0.817 17551 61 1 1 . 1 1 12 12 GLU CB C 12 33.450 33.450 32.979 0.471 17551 62 1 1 . 1 1 12 12 GLU H H 12 8.562 8.562 8.935 -0.373 17551 63 1 1 . 1 1 13 13 ASN N N 13 118.877 118.877 121.516 -2.639 17551 64 1 1 . 1 1 13 13 ASN HA H 13 4.742 4.742 4.508 0.234 17551 65 1 1 . 1 1 13 13 ASN C C 13 175.303 175.303 175.302 0.001 17551 66 1 1 . 1 1 13 13 ASN CA C 13 53.373 53.373 54.492 -1.119 17551 67 1 1 . 1 1 13 13 ASN CB C 13 37.207 37.207 37.261 -0.054 17551 68 1 1 . 1 1 13 13 ASN H H 13 9.110 9.110 9.174 -0.064 17551 69 1 1 . 1 1 14 14 TYR N N 14 118.061 118.061 120.678 -2.617 17551 70 1 1 . 1 1 14 14 TYR HA H 14 4.015 4.015 4.117 -0.102 17551 71 1 1 . 1 1 14 14 TYR C C 14 176.581 176.581 176.610 -0.029 17551 72 1 1 . 1 1 14 14 TYR CA C 14 62.797 62.797 63.173 -0.376 17551 73 1 1 . 1 1 14 14 TYR CB C 14 38.998 38.998 38.579 0.419 17551 74 1 1 . 1 1 14 14 TYR H H 14 8.731 8.731 7.713 1.018 17551 75 1 1 . 1 1 15 15 ASP N N 15 115.317 115.317 117.697 -2.380 17551 76 1 1 . 1 1 15 15 ASP HA H 15 4.112 4.112 4.432 -0.320 17551 77 1 1 . 1 1 15 15 ASP C C 15 178.333 178.333 178.206 0.127 17551 78 1 1 . 1 1 15 15 ASP CA C 15 57.819 57.819 59.196 -1.377 17551 79 1 1 . 1 1 15 15 ASP CB C 15 40.410 40.410 40.165 0.245 17551 80 1 1 . 1 1 15 15 ASP H H 15 8.316 8.316 9.039 -0.723 17551 81 1 1 . 1 1 16 16 ASP N N 16 117.774 117.774 120.032 -2.258 17551 82 1 1 . 1 1 16 16 ASP HA H 16 4.392 4.392 4.403 -0.011 17551 83 1 1 . 1 1 16 16 ASP C C 16 178.597 178.597 178.163 0.434 17551 84 1 1 . 1 1 16 16 ASP CA C 16 56.348 56.348 57.256 -0.908 17551 85 1 1 . 1 1 16 16 ASP CB C 16 39.883 39.883 40.982 -1.099 17551 86 1 1 . 1 1 16 16 ASP H H 16 8.449 8.449 8.209 0.240 17551 87 1 1 . 1 1 17 17 PHE N N 17 120.363 120.363 120.757 -0.394 17551 88 1 1 . 1 1 17 17 PHE HA H 17 4.068 4.068 4.072 -0.004 17551 89 1 1 . 1 1 17 17 PHE C C 17 176.755 176.755 177.200 -0.445 17551 90 1 1 . 1 1 17 17 PHE CA C 17 61.840 61.840 61.463 0.377 17551 91 1 1 . 1 1 17 17 PHE CB C 17 39.794 39.794 39.028 0.766 17551 92 1 1 . 1 1 17 17 PHE H H 17 7.931 7.931 8.118 -0.187 17551 93 1 1 . 1 1 18 18 VAL N N 18 110.180 110.180 117.091 -6.911 17551 94 1 1 . 1 1 18 18 VAL HA H 18 3.595 3.595 3.468 0.127 17551 95 1 1 . 1 1 18 18 VAL C C 18 178.434 178.434 177.730 0.704 17551 96 1 1 . 1 1 18 18 VAL CA C 18 64.697 64.697 66.656 -1.959 17551 97 1 1 . 1 1 18 18 VAL CB C 18 29.602 29.602 31.305 -1.703 17551 98 1 1 . 1 1 18 18 VAL H H 18 8.294 8.294 8.291 0.003 17551 99 1 1 . 1 1 19 19 LYS N N 19 119.749 119.749 117.727 2.022 17551 100 1 1 . 1 1 19 19 LYS HA H 19 4.108 4.108 4.101 0.007 17551 101 1 1 . 1 1 19 19 LYS C C 19 179.796 179.796 178.821 0.975 17551 102 1 1 . 1 1 19 19 LYS CA C 19 58.320 58.320 58.214 0.106 17551 103 1 1 . 1 1 19 19 LYS CB C 19 31.918 31.918 31.884 0.035 17551 104 1 1 . 1 1 19 19 LYS H H 19 7.382 7.382 8.311 -0.929 17551 105 1 1 . 1 1 20 20 LYS N N 20 121.187 121.187 118.726 2.461 17551 106 1 1 . 1 1 20 20 LYS HA H 20 4.071 4.071 4.116 -0.045 17551 107 1 1 . 1 1 20 20 LYS C C 20 179.071 179.071 178.941 0.130 17551 108 1 1 . 1 1 20 20 LYS CA C 20 57.347 57.347 57.521 -0.174 17551 109 1 1 . 1 1 20 20 LYS CB C 20 30.633 30.633 32.734 -2.101 17551 110 1 1 . 1 1 20 20 LYS H H 20 7.718 7.718 7.335 0.383 17551 111 1 1 . 1 1 21 21 ILE N N 21 109.363 109.363 112.068 -2.705 17551 112 1 1 . 1 1 21 21 ILE HA H 21 4.212 4.212 3.834 0.378 17551 113 1 1 . 1 1 21 21 ILE C C 21 176.366 176.366 176.577 -0.211 17551 114 1 1 . 1 1 21 21 ILE CA C 21 61.610 61.610 61.892 -0.281 17551 115 1 1 . 1 1 21 21 ILE CB C 21 36.968 36.968 37.657 -0.689 17551 116 1 1 . 1 1 21 21 ILE H H 21 7.591 7.591 7.730 -0.139 17551 117 1 1 . 1 1 22 22 GLY N N 22 107.961 107.961 108.701 -0.740 17551 118 1 1 . 1 1 22 22 GLY C C 22 174.877 174.877 174.855 0.022 17551 119 1 1 . 1 1 22 22 GLY CA C 22 45.510 45.510 45.153 0.357 17551 120 1 1 . 1 1 22 22 GLY H H 22 7.260 7.260 7.305 -0.045 17551 121 1 1 . 1 1 23 23 LEU N N 23 120.597 120.597 122.630 -2.033 17551 122 1 1 . 1 1 23 23 LEU HA H 23 4.207 4.207 4.524 -0.317 17551 123 1 1 . 1 1 23 23 LEU CA C 23 52.923 52.923 52.948 -0.025 17551 124 1 1 . 1 1 23 23 LEU CB C 23 42.241 42.241 43.372 -1.131 17551 125 1 1 . 1 1 23 23 LEU H H 23 7.314 7.314 7.994 -0.680 17551 126 1 1 . 1 1 24 24 PRO HA H 24 4.537 4.537 4.495 0.042 17551 127 1 1 . 1 1 24 24 PRO C C 24 177.702 177.702 177.746 -0.044 17551 128 1 1 . 1 1 24 24 PRO CA C 24 61.891 61.891 62.566 -0.675 17551 129 1 1 . 1 1 24 24 PRO CB C 24 32.260 32.260 32.919 -0.659 17551 130 1 1 . 1 1 25 25 ALA N N 25 123.142 123.142 127.513 -4.371 17551 131 1 1 . 1 1 25 25 ALA HA H 25 3.935 3.935 3.932 0.003 17551 132 1 1 . 1 1 25 25 ALA C C 25 179.461 179.461 179.643 -0.182 17551 133 1 1 . 1 1 25 25 ALA CA C 25 55.314 55.314 55.353 -0.039 17551 134 1 1 . 1 1 25 25 ALA CB C 25 18.220 18.220 18.458 -0.238 17551 135 1 1 . 1 1 25 25 ALA H H 25 8.738 8.738 8.805 -0.067 17551 136 1 1 . 1 1 26 26 ASP N N 26 115.440 115.440 117.446 -2.006 17551 137 1 1 . 1 1 26 26 ASP HA H 26 4.379 4.379 4.415 -0.036 17551 138 1 1 . 1 1 26 26 ASP C C 26 179.291 179.291 178.120 1.171 17551 139 1 1 . 1 1 26 26 ASP CA C 26 56.015 56.015 57.159 -1.144 17551 140 1 1 . 1 1 26 26 ASP CB C 26 38.136 38.136 40.287 -2.151 17551 141 1 1 . 1 1 26 26 ASP H H 26 8.971 8.971 8.730 0.241 17551 142 1 1 . 1 1 27 27 LYS N N 27 122.292 122.292 117.652 4.640 17551 143 1 1 . 1 1 27 27 LYS HA H 27 4.160 4.160 4.376 -0.216 17551 144 1 1 . 1 1 27 27 LYS C C 27 177.758 177.758 178.498 -0.740 17551 145 1 1 . 1 1 27 27 LYS CA C 27 58.022 58.022 56.956 1.066 17551 146 1 1 . 1 1 27 27 LYS CB C 27 31.334 31.334 32.835 -1.501 17551 147 1 1 . 1 1 27 27 LYS H H 27 7.434 7.434 7.598 -0.164 17551 148 1 1 . 1 1 28 28 ILE N N 28 119.737 119.737 122.235 -2.498 17551 149 1 1 . 1 1 28 28 ILE HA H 28 3.586 3.586 3.876 -0.290 17551 150 1 1 . 1 1 28 28 ILE C C 28 180.386 180.386 177.874 2.512 17551 151 1 1 . 1 1 28 28 ILE CA C 28 65.027 65.027 65.530 -0.503 17551 152 1 1 . 1 1 28 28 ILE CB C 28 37.002 37.002 38.093 -1.091 17551 153 1 1 . 1 1 28 28 ILE H H 28 8.016 8.016 8.517 -0.501 17551 154 1 1 . 1 1 29 29 GLU N N 29 117.216 117.216 116.744 0.472 17551 155 1 1 . 1 1 29 29 GLU HA H 29 4.294 4.294 4.121 0.173 17551 156 1 1 . 1 1 29 29 GLU C C 29 179.024 179.024 178.914 0.110 17551 157 1 1 . 1 1 29 29 GLU CA C 29 58.139 58.139 58.541 -0.402 17551 158 1 1 . 1 1 29 29 GLU CB C 29 28.028 28.028 29.507 -1.479 17551 159 1 1 . 1 1 29 29 GLU H H 29 7.755 7.755 7.952 -0.197 17551 160 1 1 . 1 1 30 30 MET N N 30 119.183 119.183 120.333 -1.150 17551 161 1 1 . 1 1 30 30 MET HA H 30 4.194 4.194 4.443 -0.249 17551 162 1 1 . 1 1 30 30 MET C C 30 177.683 177.683 177.337 0.346 17551 163 1 1 . 1 1 30 30 MET CA C 30 58.150 58.150 57.092 1.058 17551 164 1 1 . 1 1 30 30 MET CB C 30 33.162 33.162 33.005 0.157 17551 165 1 1 . 1 1 30 30 MET H H 30 7.659 7.659 7.744 -0.085 17551 166 1 1 . 1 1 31 31 GLY N N 31 102.603 102.603 105.913 -3.310 17551 167 1 1 . 1 1 31 31 GLY C C 31 172.264 172.264 172.928 -0.664 17551 168 1 1 . 1 1 31 31 GLY CA C 31 45.433 45.433 44.582 0.851 17551 169 1 1 . 1 1 31 31 GLY H H 31 7.839 7.839 8.515 -0.676 17551 170 1 1 . 1 1 32 32 ARG N N 32 121.453 121.453 120.118 1.335 17551 171 1 1 . 1 1 32 32 ARG HA H 32 3.072 3.072 4.441 -1.369 17551 172 1 1 . 1 1 32 32 ARG C C 32 175.932 175.932 175.107 0.825 17551 173 1 1 . 1 1 32 32 ARG CA C 32 56.894 56.894 54.944 1.950 17551 174 1 1 . 1 1 32 32 ARG CB C 32 29.004 29.004 31.493 -2.489 17551 175 1 1 . 1 1 32 32 ARG H H 32 6.954 6.954 7.195 -0.241 17551 176 1 1 . 1 1 33 33 ASN N N 33 127.905 127.905 117.142 10.763 17551 177 1 1 . 1 1 33 33 ASN HA H 33 4.066 4.066 4.021 0.045 17551 178 1 1 . 1 1 33 33 ASN C C 33 173.939 173.939 174.075 -0.136 17551 179 1 1 . 1 1 33 33 ASN CA C 33 53.539 53.539 54.152 -0.613 17551 180 1 1 . 1 1 33 33 ASN CB C 33 37.017 37.017 37.948 -0.931 17551 181 1 1 . 1 1 33 33 ASN H H 33 8.990 8.990 8.337 0.653 17551 182 1 1 . 1 1 34 34 CYS N N 34 116.649 116.649 115.592 1.057 17551 183 1 1 . 1 1 34 34 CYS HA H 34 4.018 4.018 4.627 -0.609 17551 184 1 1 . 1 1 34 34 CYS C C 34 175.384 175.384 174.852 0.532 17551 185 1 1 . 1 1 34 34 CYS CA C 34 57.216 57.216 56.718 0.498 17551 186 1 1 . 1 1 34 34 CYS CB C 34 27.200 27.200 30.768 -3.568 17551 187 1 1 . 1 1 34 34 CYS H H 34 7.443 7.443 7.394 0.049 17551 188 1 1 . 1 1 35 35 LYS N N 35 130.727 130.727 121.970 8.757 17551 189 1 1 . 1 1 35 35 LYS HA H 35 4.296 4.296 4.383 -0.087 17551 190 1 1 . 1 1 35 35 LYS C C 35 175.272 175.272 175.481 -0.209 17551 191 1 1 . 1 1 35 35 LYS CA C 35 55.577 55.577 55.711 -0.134 17551 192 1 1 . 1 1 35 35 LYS CB C 35 29.487 29.487 31.027 -1.540 17551 193 1 1 . 1 1 35 35 LYS H H 35 8.691 8.691 8.459 0.232 17551 194 1 1 . 1 1 36 36 ILE N N 36 125.658 125.658 125.197 0.461 17551 195 1 1 . 1 1 36 36 ILE HA H 36 4.010 4.010 4.575 -0.565 17551 196 1 1 . 1 1 36 36 ILE C C 36 177.115 177.115 175.895 1.220 17551 197 1 1 . 1 1 36 36 ILE CA C 36 62.608 62.608 58.944 3.664 17551 198 1 1 . 1 1 36 36 ILE CB C 36 39.739 39.739 37.777 1.962 17551 199 1 1 . 1 1 36 36 ILE H H 36 7.658 7.658 8.184 -0.526 17551 200 1 1 . 1 1 37 37 VAL N N 37 130.730 130.730 129.403 1.327 17551 201 1 1 . 1 1 37 37 VAL HA H 37 5.105 5.105 5.177 -0.072 17551 202 1 1 . 1 1 37 37 VAL C C 37 175.295 175.295 176.123 -0.828 17551 203 1 1 . 1 1 37 37 VAL CA C 37 60.845 60.845 61.014 -0.169 17551 204 1 1 . 1 1 37 37 VAL CB C 37 33.716 33.716 33.287 0.429 17551 205 1 1 . 1 1 37 37 VAL H H 37 7.909 7.909 8.246 -0.337 17551 206 1 1 . 1 1 38 38 THR N N 38 127.066 127.066 125.042 2.024 17551 207 1 1 . 1 1 38 38 THR HA H 38 5.405 5.405 5.409 -0.004 17551 208 1 1 . 1 1 38 38 THR C C 38 174.035 174.035 174.275 -0.240 17551 209 1 1 . 1 1 38 38 THR CA C 38 61.303 61.303 61.243 0.060 17551 210 1 1 . 1 1 38 38 THR CB C 38 70.474 70.474 69.283 1.191 17551 211 1 1 . 1 1 38 38 THR H H 38 9.393 9.393 9.145 0.248 17551 212 1 1 . 1 1 39 39 GLU N N 39 126.804 126.804 128.880 -2.076 17551 213 1 1 . 1 1 39 39 GLU HA H 39 5.216 5.216 4.639 0.577 17551 214 1 1 . 1 1 39 39 GLU C C 39 174.379 174.379 174.942 -0.563 17551 215 1 1 . 1 1 39 39 GLU CA C 39 54.232 54.232 55.855 -1.623 17551 216 1 1 . 1 1 39 39 GLU CB C 39 32.531 32.531 30.654 1.877 17551 217 1 1 . 1 1 39 39 GLU H H 39 9.728 9.728 8.448 1.280 17551 218 1 1 . 1 1 40 40 VAL N N 40 125.405 125.405 126.091 -0.686 17551 219 1 1 . 1 1 40 40 VAL HA H 40 4.859 4.859 5.346 -0.487 17551 220 1 1 . 1 1 40 40 VAL C C 40 176.139 176.139 175.523 0.616 17551 221 1 1 . 1 1 40 40 VAL CA C 40 60.091 60.091 60.016 0.075 17551 222 1 1 . 1 1 40 40 VAL CB C 40 33.952 33.952 33.450 0.502 17551 223 1 1 . 1 1 40 40 VAL H H 40 9.326 9.326 8.968 0.358 17551 224 1 1 . 1 1 41 41 VAL N N 41 127.197 127.197 127.882 -0.685 17551 225 1 1 . 1 1 41 41 VAL HA H 41 4.144 4.144 4.358 -0.214 17551 226 1 1 . 1 1 41 41 VAL C C 41 173.604 173.604 174.323 -0.719 17551 227 1 1 . 1 1 41 41 VAL CA C 41 62.522 62.522 60.373 2.149 17551 228 1 1 . 1 1 41 41 VAL CB C 41 33.757 33.757 33.697 0.060 17551 229 1 1 . 1 1 41 41 VAL H H 41 8.811 8.811 8.618 0.193 17551 230 1 1 . 1 1 42 42 GLN N N 42 130.317 130.317 126.813 3.504 17551 231 1 1 . 1 1 42 42 GLN HA H 42 4.430 4.430 4.001 0.429 17551 232 1 1 . 1 1 42 42 GLN C C 42 174.239 174.239 174.865 -0.626 17551 233 1 1 . 1 1 42 42 GLN CA C 42 52.960 52.960 56.094 -3.134 17551 234 1 1 . 1 1 42 42 GLN CB C 42 29.877 29.877 28.696 1.181 17551 235 1 1 . 1 1 42 42 GLN H H 42 8.345 8.345 8.703 -0.358 17551 236 1 1 . 1 1 43 43 ASN N N 43 125.513 125.513 127.467 -1.954 17551 237 1 1 . 1 1 43 43 ASN HA H 43 4.826 4.826 4.820 0.006 17551 238 1 1 . 1 1 43 43 ASN C C 43 175.350 175.350 175.206 0.144 17551 239 1 1 . 1 1 43 43 ASN CA C 43 51.303 51.303 51.844 -0.541 17551 240 1 1 . 1 1 43 43 ASN CB C 43 39.051 39.051 38.822 0.229 17551 241 1 1 . 1 1 43 43 ASN H H 43 8.772 8.772 7.817 0.955 17551 242 1 1 . 1 1 44 44 GLY N N 44 115.694 115.694 111.464 4.230 17551 243 1 1 . 1 1 44 44 GLY C C 44 173.199 173.199 174.933 -1.734 17551 244 1 1 . 1 1 44 44 GLY CA C 44 46.964 46.964 46.871 0.093 17551 245 1 1 . 1 1 44 44 GLY H H 44 9.187 9.187 8.524 0.663 17551 246 1 1 . 1 1 45 45 ASN N N 45 125.520 125.520 123.388 2.132 17551 247 1 1 . 1 1 45 45 ASN HA H 45 4.991 4.991 4.877 0.114 17551 248 1 1 . 1 1 45 45 ASN C C 45 173.822 173.822 173.032 0.790 17551 249 1 1 . 1 1 45 45 ASN CA C 45 52.215 52.215 52.397 -0.182 17551 250 1 1 . 1 1 45 45 ASN CB C 45 38.700 38.700 40.371 -1.671 17551 251 1 1 . 1 1 45 45 ASN H H 45 8.854 8.854 8.281 0.573 17551 252 1 1 . 1 1 46 46 ASP N N 46 120.842 120.842 121.346 -0.504 17551 253 1 1 . 1 1 46 46 ASP HA H 46 5.185 5.185 5.139 0.046 17551 254 1 1 . 1 1 46 46 ASP C C 46 174.705 174.705 174.501 0.204 17551 255 1 1 . 1 1 46 46 ASP CA C 46 53.658 53.658 52.937 0.721 17551 256 1 1 . 1 1 46 46 ASP CB C 46 41.025 41.025 41.372 -0.347 17551 257 1 1 . 1 1 46 46 ASP H H 46 7.921 7.921 7.811 0.110 17551 258 1 1 . 1 1 47 47 PHE N N 47 121.470 121.470 125.334 -3.864 17551 259 1 1 . 1 1 47 47 PHE HA H 47 5.161 5.161 5.061 0.100 17551 260 1 1 . 1 1 47 47 PHE C C 47 177.125 177.125 175.892 1.233 17551 261 1 1 . 1 1 47 47 PHE CA C 47 56.591 56.591 55.907 0.684 17551 262 1 1 . 1 1 47 47 PHE CB C 47 44.035 44.035 41.074 2.961 17551 263 1 1 . 1 1 47 47 PHE H H 47 9.263 9.263 8.697 0.566 17551 264 1 1 . 1 1 48 48 THR N N 48 116.950 116.950 114.807 2.143 17551 265 1 1 . 1 1 48 48 THR HA H 48 4.861 4.861 4.518 0.343 17551 266 1 1 . 1 1 48 48 THR C C 48 172.499 172.499 173.735 -1.236 17551 267 1 1 . 1 1 48 48 THR CA C 48 62.943 62.943 61.572 1.371 17551 268 1 1 . 1 1 48 48 THR CB C 48 70.360 70.360 69.331 1.030 17551 269 1 1 . 1 1 48 48 THR H H 48 8.831 8.831 8.290 0.541 17551 270 1 1 . 1 1 49 49 TRP N N 49 132.266 132.266 128.384 3.882 17551 271 1 1 . 1 1 49 49 TRP HA H 49 4.955 4.955 4.981 -0.026 17551 272 1 1 . 1 1 49 49 TRP C C 49 175.842 175.842 174.996 0.846 17551 273 1 1 . 1 1 49 49 TRP CA C 49 57.286 57.286 56.257 1.029 17551 274 1 1 . 1 1 49 49 TRP CB C 49 31.894 31.894 31.553 0.341 17551 275 1 1 . 1 1 49 49 TRP H H 49 9.914 9.914 9.049 0.865 17551 276 1 1 . 1 1 50 50 THR N N 50 131.707 131.707 123.095 8.612 17551 277 1 1 . 1 1 50 50 THR HA H 50 5.928 5.928 4.851 1.077 17551 278 1 1 . 1 1 50 50 THR C C 50 173.408 173.408 173.170 0.238 17551 279 1 1 . 1 1 50 50 THR CA C 50 60.993 60.993 61.673 -0.680 17551 280 1 1 . 1 1 50 50 THR CB C 50 70.957 70.957 69.853 1.104 17551 281 1 1 . 1 1 50 50 THR H H 50 9.524 9.524 8.143 1.381 17551 282 1 1 . 1 1 51 51 GLN N N 51 124.680 124.680 126.730 -2.050 17551 283 1 1 . 1 1 51 51 GLN HA H 51 5.056 5.056 4.909 0.147 17551 284 1 1 . 1 1 51 51 GLN C C 51 175.328 175.328 174.591 0.737 17551 285 1 1 . 1 1 51 51 GLN CA C 51 56.309 56.309 54.551 1.758 17551 286 1 1 . 1 1 51 51 GLN CB C 51 29.046 29.046 30.633 -1.587 17551 287 1 1 . 1 1 51 51 GLN H H 51 9.456 9.456 9.306 0.150 17551 288 1 1 . 1 1 52 52 HIS N N 52 122.268 122.268 124.594 -2.326 17551 289 1 1 . 1 1 52 52 HIS HA H 52 5.051 5.051 4.976 0.075 17551 290 1 1 . 1 1 52 52 HIS C C 52 174.819 174.819 174.325 0.494 17551 291 1 1 . 1 1 52 52 HIS CA C 52 54.039 54.039 54.978 -0.939 17551 292 1 1 . 1 1 52 52 HIS CB C 52 29.432 29.432 32.254 -2.822 17551 293 1 1 . 1 1 52 52 HIS H H 52 9.534 9.534 8.853 0.681 17551 294 1 1 . 1 1 53 53 PHE N N 53 129.837 129.837 124.852 4.985 17551 295 1 1 . 1 1 53 53 PHE HA H 53 4.584 4.584 4.973 -0.389 17551 296 1 1 . 1 1 53 53 PHE CA C 53 56.312 56.312 53.375 2.937 17551 297 1 1 . 1 1 53 53 PHE CB C 53 40.660 40.660 41.882 -1.222 17551 298 1 1 . 1 1 53 53 PHE H H 53 8.641 8.641 9.007 -0.366 17551 299 1 1 . 1 1 54 54 PRO HA H 54 4.291 4.291 4.369 -0.078 17551 300 1 1 . 1 1 54 54 PRO C C 54 177.389 177.389 176.702 0.687 17551 301 1 1 . 1 1 54 54 PRO CA C 54 63.569 63.569 63.611 -0.042 17551 302 1 1 . 1 1 54 54 PRO CB C 54 30.471 30.471 31.022 -0.551 17551 303 1 1 . 1 1 55 55 GLY N N 55 113.867 113.867 113.059 0.808 17551 304 1 1 . 1 1 55 55 GLY C C 55 175.164 175.164 174.074 1.090 17551 305 1 1 . 1 1 55 55 GLY CA C 55 45.258 45.258 45.059 0.199 17551 306 1 1 . 1 1 55 55 GLY H H 55 8.926 8.926 8.561 0.365 17551 307 1 1 . 1 1 56 56 GLY N N 56 108.877 108.877 108.223 0.654 17551 308 1 1 . 1 1 56 56 GLY C C 56 174.054 174.054 172.557 1.497 17551 309 1 1 . 1 1 56 56 GLY CA C 56 44.534 44.534 44.643 -0.109 17551 310 1 1 . 1 1 56 56 GLY H H 56 8.426 8.426 7.815 0.611 17551 311 1 1 . 1 1 57 57 ARG N N 57 123.871 123.871 119.359 4.512 17551 312 1 1 . 1 1 57 57 ARG HA H 57 4.483 4.483 4.505 -0.022 17551 313 1 1 . 1 1 57 57 ARG C C 57 176.728 176.728 175.690 1.038 17551 314 1 1 . 1 1 57 57 ARG CA C 57 56.217 56.217 56.132 0.085 17551 315 1 1 . 1 1 57 57 ARG CB C 57 31.388 31.388 30.668 0.720 17551 316 1 1 . 1 1 57 57 ARG H H 57 8.474 8.474 8.568 -0.094 17551 317 1 1 . 1 1 58 58 THR N N 58 122.156 122.156 116.067 6.089 17551 318 1 1 . 1 1 58 58 THR HA H 58 5.299 5.299 4.702 0.597 17551 319 1 1 . 1 1 58 58 THR C C 58 174.092 174.092 174.931 -0.839 17551 320 1 1 . 1 1 58 58 THR CA C 58 62.125 62.125 61.021 1.104 17551 321 1 1 . 1 1 58 58 THR CB C 58 70.339 70.339 70.917 -0.578 17551 322 1 1 . 1 1 58 58 THR H H 58 8.818 8.818 8.365 0.453 17551 323 1 1 . 1 1 59 59 THR N N 59 127.287 127.287 119.668 7.619 17551 324 1 1 . 1 1 59 59 THR HA H 59 4.505 4.505 4.710 -0.205 17551 325 1 1 . 1 1 59 59 THR C C 59 172.626 172.626 172.414 0.212 17551 326 1 1 . 1 1 59 59 THR CA C 59 62.163 62.163 61.653 0.510 17551 327 1 1 . 1 1 59 59 THR CB C 59 70.565 70.565 71.345 -0.780 17551 328 1 1 . 1 1 59 59 THR H H 59 9.281 9.281 8.934 0.347 17551 329 1 1 . 1 1 60 60 THR N N 60 123.658 123.658 120.821 2.837 17551 330 1 1 . 1 1 60 60 THR HA H 60 5.105 5.105 5.091 0.014 17551 331 1 1 . 1 1 60 60 THR C C 60 172.453 172.453 173.638 -1.185 17551 332 1 1 . 1 1 60 60 THR CA C 60 61.277 61.277 61.412 -0.135 17551 333 1 1 . 1 1 60 60 THR CB C 60 70.432 70.432 70.462 -0.030 17551 334 1 1 . 1 1 60 60 THR H H 60 8.952 8.952 8.414 0.538 17551 335 1 1 . 1 1 61 61 ASN N N 61 124.292 124.292 126.018 -1.726 17551 336 1 1 . 1 1 61 61 ASN HA H 61 5.384 5.384 5.118 0.266 17551 337 1 1 . 1 1 61 61 ASN C C 61 173.609 173.609 174.272 -0.663 17551 338 1 1 . 1 1 61 61 ASN CA C 61 52.190 52.190 52.641 -0.451 17551 339 1 1 . 1 1 61 61 ASN CB C 61 43.987 43.987 41.912 2.075 17551 340 1 1 . 1 1 61 61 ASN H H 61 8.848 8.848 9.159 -0.311 17551 341 1 1 . 1 1 62 62 SER N N 62 118.046 118.046 119.238 -1.192 17551 342 1 1 . 1 1 62 62 SER HA H 62 5.659 5.659 5.053 0.606 17551 343 1 1 . 1 1 62 62 SER C C 62 172.545 172.545 173.084 -0.539 17551 344 1 1 . 1 1 62 62 SER CA C 62 56.974 56.974 58.517 -1.543 17551 345 1 1 . 1 1 62 62 SER CB C 62 64.719 64.719 64.881 -0.162 17551 346 1 1 . 1 1 62 62 SER H H 62 8.986 8.986 8.839 0.147 17551 347 1 1 . 1 1 63 63 PHE N N 63 118.769 118.769 118.620 0.149 17551 348 1 1 . 1 1 63 63 PHE HA H 63 5.016 5.016 4.960 0.056 17551 349 1 1 . 1 1 63 63 PHE C C 63 172.500 172.500 173.480 -0.980 17551 350 1 1 . 1 1 63 63 PHE CA C 63 55.793 55.793 56.121 -0.328 17551 351 1 1 . 1 1 63 63 PHE CB C 63 39.459 39.459 41.256 -1.797 17551 352 1 1 . 1 1 63 63 PHE H H 63 8.514 8.514 8.451 0.063 17551 353 1 1 . 1 1 64 64 THR N N 64 120.318 120.318 119.064 1.254 17551 354 1 1 . 1 1 64 64 THR HA H 64 5.617 5.617 4.981 0.636 17551 355 1 1 . 1 1 64 64 THR C C 64 175.240 175.240 174.717 0.523 17551 356 1 1 . 1 1 64 64 THR CA C 64 60.409 60.409 61.762 -1.353 17551 357 1 1 . 1 1 64 64 THR CB C 64 71.213 71.213 69.970 1.243 17551 358 1 1 . 1 1 64 64 THR H H 64 9.743 9.743 8.712 1.031 17551 359 1 1 . 1 1 65 65 ILE N N 65 127.640 127.640 127.942 -0.302 17551 360 1 1 . 1 1 65 65 ILE HA H 65 4.089 4.089 3.949 0.140 17551 361 1 1 . 1 1 65 65 ILE C C 65 176.477 176.477 177.547 -1.070 17551 362 1 1 . 1 1 65 65 ILE CA C 65 59.299 59.299 61.834 -2.535 17551 363 1 1 . 1 1 65 65 ILE CB C 65 35.445 35.445 36.160 -0.716 17551 364 1 1 . 1 1 65 65 ILE H H 65 8.961 8.961 9.015 -0.054 17551 365 1 1 . 1 1 66 66 ASP N N 66 117.361 117.361 125.121 -7.760 17551 366 1 1 . 1 1 66 66 ASP HA H 66 4.080 4.080 4.220 -0.140 17551 367 1 1 . 1 1 66 66 ASP C C 66 174.730 174.730 174.448 0.282 17551 368 1 1 . 1 1 66 66 ASP CA C 66 57.150 57.150 55.711 1.439 17551 369 1 1 . 1 1 66 66 ASP CB C 66 38.442 38.442 40.550 -2.108 17551 370 1 1 . 1 1 66 66 ASP H H 66 9.264 9.264 9.368 -0.104 17551 371 1 1 . 1 1 67 67 LYS N N 67 121.171 121.171 119.051 2.120 17551 372 1 1 . 1 1 67 67 LYS HA H 67 4.805 4.805 4.588 0.217 17551 373 1 1 . 1 1 67 67 LYS C C 67 175.115 175.115 174.582 0.533 17551 374 1 1 . 1 1 67 67 LYS CA C 67 53.900 53.900 54.488 -0.588 17551 375 1 1 . 1 1 67 67 LYS CB C 67 34.256 34.256 35.617 -1.361 17551 376 1 1 . 1 1 67 67 LYS H H 67 8.185 8.185 7.809 0.376 17551 377 1 1 . 1 1 68 68 GLU N N 68 130.373 130.373 126.298 4.075 17551 378 1 1 . 1 1 68 68 GLU HA H 68 4.194 4.194 4.413 -0.219 17551 379 1 1 . 1 1 68 68 GLU C C 68 175.449 175.449 175.527 -0.078 17551 380 1 1 . 1 1 68 68 GLU CA C 68 58.343 58.343 56.787 1.556 17551 381 1 1 . 1 1 68 68 GLU H H 68 8.879 8.879 8.763 0.116 17551 382 1 1 . 1 1 69 69 ALA N N 69 130.113 130.113 130.404 -0.291 17551 383 1 1 . 1 1 69 69 ALA HA H 69 4.924 4.924 4.746 0.178 17551 384 1 1 . 1 1 69 69 ALA C C 69 175.797 175.797 175.567 0.230 17551 385 1 1 . 1 1 69 69 ALA CA C 69 50.151 50.151 50.441 -0.290 17551 386 1 1 . 1 1 69 69 ALA CB C 69 22.239 22.239 22.415 -0.176 17551 387 1 1 . 1 1 69 69 ALA H H 69 8.864 8.864 9.133 -0.269 17551 388 1 1 . 1 1 70 70 ASP N N 70 120.889 120.889 123.551 -2.662 17551 389 1 1 . 1 1 70 70 ASP HA H 70 4.852 4.852 4.701 0.151 17551 390 1 1 . 1 1 70 70 ASP C C 70 175.541 175.541 175.099 0.442 17551 391 1 1 . 1 1 70 70 ASP CA C 70 54.211 54.211 54.416 -0.205 17551 392 1 1 . 1 1 70 70 ASP CB C 70 41.052 41.052 40.755 0.297 17551 393 1 1 . 1 1 70 70 ASP H H 70 8.319 8.319 8.565 -0.246 17551 394 1 1 . 1 1 71 71 MET N N 71 125.005 125.005 122.022 2.983 17551 395 1 1 . 1 1 71 71 MET HA H 71 4.743 4.743 4.772 -0.029 17551 396 1 1 . 1 1 71 71 MET C C 71 174.047 174.047 173.833 0.214 17551 397 1 1 . 1 1 71 71 MET CA C 71 54.265 54.265 53.979 0.286 17551 398 1 1 . 1 1 71 71 MET CB C 71 39.844 39.844 37.622 2.222 17551 399 1 1 . 1 1 71 71 MET H H 71 8.796 8.796 8.695 0.101 17551 400 1 1 . 1 1 72 72 GLU N N 72 118.909 118.909 119.962 -1.053 17551 401 1 1 . 1 1 72 72 GLU HA H 72 5.613 5.613 5.568 0.045 17551 402 1 1 . 1 1 72 72 GLU C C 72 176.109 176.109 175.279 0.830 17551 403 1 1 . 1 1 72 72 GLU CA C 72 53.790 53.790 54.469 -0.679 17551 404 1 1 . 1 1 72 72 GLU CB C 72 33.986 33.986 33.893 0.093 17551 405 1 1 . 1 1 72 72 GLU H H 72 9.225 9.225 8.663 0.562 17551 406 1 1 . 1 1 73 73 THR N N 73 109.667 109.667 116.116 -6.449 17551 407 1 1 . 1 1 73 73 THR HA H 73 4.538 4.538 4.738 -0.200 17551 408 1 1 . 1 1 73 73 THR C C 73 176.660 176.660 176.172 0.488 17551 409 1 1 . 1 1 73 73 THR CA C 73 59.666 59.666 60.090 -0.424 17551 410 1 1 . 1 1 73 73 THR CB C 73 69.710 69.710 70.700 -0.990 17551 411 1 1 . 1 1 73 73 THR H H 73 8.904 8.904 8.426 0.478 17551 412 1 1 . 1 1 74 74 MET N N 74 117.519 117.519 118.589 -1.070 17551 413 1 1 . 1 1 74 74 MET HA H 74 4.776 4.776 4.372 0.404 17551 414 1 1 . 1 1 74 74 MET C C 74 176.641 176.641 177.216 -0.575 17551 415 1 1 . 1 1 74 74 MET CA C 74 58.631 58.631 57.570 1.061 17551 416 1 1 . 1 1 74 74 MET H H 74 8.206 8.206 8.617 -0.411 17551 417 1 1 . 1 1 75 75 GLY N N 75 103.810 103.810 104.387 -0.577 17551 418 1 1 . 1 1 75 75 GLY C C 75 173.956 173.956 174.989 -1.033 17551 419 1 1 . 1 1 75 75 GLY CA C 75 43.728 43.728 44.544 -0.816 17551 420 1 1 . 1 1 75 75 GLY H H 75 8.067 8.067 7.600 0.467 17551 421 1 1 . 1 1 76 76 GLY N N 76 108.498 108.498 109.098 -0.600 17551 422 1 1 . 1 1 76 76 GLY C C 76 173.267 173.267 174.087 -0.820 17551 423 1 1 . 1 1 76 76 GLY CA C 76 44.563 44.563 44.759 -0.196 17551 424 1 1 . 1 1 76 76 GLY H H 76 7.702 7.702 7.501 0.201 17551 425 1 1 . 1 1 77 77 ARG N N 77 121.161 121.161 120.017 1.144 17551 426 1 1 . 1 1 77 77 ARG HA H 77 4.348 4.348 4.622 -0.274 17551 427 1 1 . 1 1 77 77 ARG C C 77 176.083 176.083 175.300 0.783 17551 428 1 1 . 1 1 77 77 ARG CA C 77 55.350 55.350 54.579 0.771 17551 429 1 1 . 1 1 77 77 ARG CB C 77 30.904 30.904 32.242 -1.338 17551 430 1 1 . 1 1 77 77 ARG H H 77 7.328 7.328 7.680 -0.352 17551 431 1 1 . 1 1 78 78 LYS N N 78 126.790 126.790 125.270 1.520 17551 432 1 1 . 1 1 78 78 LYS HA H 78 5.147 5.147 4.938 0.209 17551 433 1 1 . 1 1 78 78 LYS C C 78 176.961 176.961 176.049 0.912 17551 434 1 1 . 1 1 78 78 LYS CA C 78 55.487 55.487 55.531 -0.044 17551 435 1 1 . 1 1 78 78 LYS CB C 78 32.769 32.769 32.795 -0.026 17551 436 1 1 . 1 1 78 78 LYS H H 78 8.771 8.771 8.740 0.031 17551 437 1 1 . 1 1 79 79 PHE N N 79 119.480 119.480 122.031 -2.551 17551 438 1 1 . 1 1 79 79 PHE HA H 79 4.898 4.898 5.001 -0.103 17551 439 1 1 . 1 1 79 79 PHE C C 79 171.587 171.587 173.297 -1.710 17551 440 1 1 . 1 1 79 79 PHE CA C 79 55.817 55.817 56.681 -0.864 17551 441 1 1 . 1 1 79 79 PHE CB C 79 40.702 40.702 41.006 -0.304 17551 442 1 1 . 1 1 79 79 PHE H H 79 8.794 8.794 8.573 0.221 17551 443 1 1 . 1 1 80 80 LYS N N 80 119.760 119.760 119.283 0.477 17551 444 1 1 . 1 1 80 80 LYS HA H 80 5.460 5.460 5.376 0.084 17551 445 1 1 . 1 1 80 80 LYS C C 80 176.538 176.538 175.429 1.109 17551 446 1 1 . 1 1 80 80 LYS CA C 80 53.988 53.988 55.096 -1.108 17551 447 1 1 . 1 1 80 80 LYS CB C 80 35.754 35.754 36.435 -0.681 17551 448 1 1 . 1 1 80 80 LYS H H 80 8.414 8.414 8.425 -0.011 17551 449 1 1 . 1 1 81 81 ALA N N 81 121.171 121.171 124.848 -3.677 17551 450 1 1 . 1 1 81 81 ALA HA H 81 4.738 4.738 4.580 0.158 17551 451 1 1 . 1 1 81 81 ALA C C 81 175.290 175.290 174.995 0.295 17551 452 1 1 . 1 1 81 81 ALA CA C 81 51.262 51.262 51.430 -0.168 17551 453 1 1 . 1 1 81 81 ALA CB C 81 22.568 22.568 21.842 0.726 17551 454 1 1 . 1 1 81 81 ALA H H 81 8.525 8.525 8.843 -0.318 17551 455 1 1 . 1 1 82 82 THR N N 82 117.970 117.970 116.649 1.321 17551 456 1 1 . 1 1 82 82 THR HA H 82 4.292 4.292 4.702 -0.410 17551 457 1 1 . 1 1 82 82 THR C C 82 172.556 172.556 173.846 -1.290 17551 458 1 1 . 1 1 82 82 THR CA C 82 61.640 61.640 61.674 -0.034 17551 459 1 1 . 1 1 82 82 THR CB C 82 68.485 68.485 69.489 -1.004 17551 460 1 1 . 1 1 82 82 THR H H 82 8.448 8.448 8.490 -0.042 17551 461 1 1 . 1 1 83 83 VAL N N 83 131.564 131.564 125.575 5.989 17551 462 1 1 . 1 1 83 83 VAL HA H 83 3.784 3.784 4.716 -0.932 17551 463 1 1 . 1 1 83 83 VAL C C 83 174.167 174.167 174.734 -0.567 17551 464 1 1 . 1 1 83 83 VAL CA C 83 62.059 62.059 60.710 1.349 17551 465 1 1 . 1 1 83 83 VAL CB C 83 31.076 31.076 33.447 -2.371 17551 466 1 1 . 1 1 83 83 VAL H H 83 9.722 9.722 7.929 1.793 17551 467 1 1 . 1 1 84 84 LYS N N 84 125.930 125.930 124.657 1.273 17551 468 1 1 . 1 1 84 84 LYS HA H 84 4.851 4.851 4.758 0.093 17551 469 1 1 . 1 1 84 84 LYS C C 84 175.025 175.025 174.214 0.811 17551 470 1 1 . 1 1 84 84 LYS CA C 84 54.213 54.213 54.158 0.055 17551 471 1 1 . 1 1 84 84 LYS CB C 84 35.076 35.076 35.598 -0.522 17551 472 1 1 . 1 1 84 84 LYS H H 84 8.541 8.541 9.184 -0.643 17551 473 1 1 . 1 1 85 85 MET N N 85 119.366 119.366 120.280 -0.914 17551 474 1 1 . 1 1 85 85 MET HA H 85 5.517 5.517 5.318 0.199 17551 475 1 1 . 1 1 85 85 MET C C 85 175.698 175.698 175.715 -0.017 17551 476 1 1 . 1 1 85 85 MET CA C 85 54.256 54.256 54.674 -0.418 17551 477 1 1 . 1 1 85 85 MET CB C 85 35.406 35.406 36.219 -0.813 17551 478 1 1 . 1 1 85 85 MET H H 85 8.992 8.992 8.503 0.489 17551 479 1 1 . 1 1 86 86 GLU N N 86 125.741 125.741 123.589 2.152 17551 480 1 1 . 1 1 86 86 GLU HA H 86 4.654 4.654 4.569 0.085 17551 481 1 1 . 1 1 86 86 GLU C C 86 177.223 177.223 176.591 0.632 17551 482 1 1 . 1 1 86 86 GLU CA C 86 54.213 54.213 55.078 -0.865 17551 483 1 1 . 1 1 86 86 GLU CB C 86 31.578 31.578 28.954 2.624 17551 484 1 1 . 1 1 86 86 GLU H H 86 9.063 9.063 9.093 -0.030 17551 485 1 1 . 1 1 87 87 GLY N N 87 117.720 117.720 112.140 5.580 17551 486 1 1 . 1 1 87 87 GLY C C 87 175.275 175.275 175.494 -0.219 17551 487 1 1 . 1 1 87 87 GLY CA C 87 46.902 46.902 44.634 2.268 17551 488 1 1 . 1 1 87 87 GLY H H 87 9.300 9.300 8.618 0.682 17551 489 1 1 . 1 1 88 88 GLY N N 88 109.070 109.070 105.442 3.628 17551 490 1 1 . 1 1 88 88 GLY C C 88 172.863 172.863 174.061 -1.198 17551 491 1 1 . 1 1 88 88 GLY CA C 88 44.853 44.853 45.005 -0.152 17551 492 1 1 . 1 1 88 88 GLY H H 88 8.739 8.739 8.376 0.363 17551 493 1 1 . 1 1 89 89 LYS N N 89 120.150 120.150 119.236 0.914 17551 494 1 1 . 1 1 89 89 LYS HA H 89 5.113 5.113 5.103 0.011 17551 495 1 1 . 1 1 89 89 LYS C C 89 175.487 175.487 175.697 -0.210 17551 496 1 1 . 1 1 89 89 LYS CA C 89 54.363 54.363 54.591 -0.228 17551 497 1 1 . 1 1 89 89 LYS CB C 89 33.753 33.753 34.337 -0.584 17551 498 1 1 . 1 1 89 89 LYS H H 89 7.853 7.853 7.511 0.342 17551 499 1 1 . 1 1 90 90 ILE N N 90 124.537 124.537 125.736 -1.199 17551 500 1 1 . 1 1 90 90 ILE HA H 90 4.489 4.489 4.344 0.145 17551 501 1 1 . 1 1 90 90 ILE C C 90 175.679 175.679 175.036 0.643 17551 502 1 1 . 1 1 90 90 ILE CA C 90 60.930 60.930 61.188 -0.258 17551 503 1 1 . 1 1 90 90 ILE CB C 90 38.367 38.367 37.467 0.900 17551 504 1 1 . 1 1 90 90 ILE H H 90 9.081 9.081 8.910 0.171 17551 505 1 1 . 1 1 91 91 VAL N N 91 124.871 124.871 128.346 -3.475 17551 506 1 1 . 1 1 91 91 VAL HA H 91 4.591 4.591 5.069 -0.478 17551 507 1 1 . 1 1 91 91 VAL C C 91 173.890 173.890 173.303 0.587 17551 508 1 1 . 1 1 91 91 VAL CA C 91 60.743 60.743 58.707 2.036 17551 509 1 1 . 1 1 91 91 VAL CB C 91 35.279 35.279 35.358 -0.079 17551 510 1 1 . 1 1 91 91 VAL H H 91 8.786 8.786 8.877 -0.091 17551 511 1 1 . 1 1 92 92 ALA N N 92 129.590 129.590 130.383 -0.793 17551 512 1 1 . 1 1 92 92 ALA HA H 92 4.563 4.563 4.871 -0.308 17551 513 1 1 . 1 1 92 92 ALA C C 92 173.855 173.855 174.995 -1.140 17551 514 1 1 . 1 1 92 92 ALA CA C 92 49.864 49.864 49.672 0.192 17551 515 1 1 . 1 1 92 92 ALA CB C 92 21.948 21.948 22.464 -0.516 17551 516 1 1 . 1 1 92 92 ALA H H 92 9.228 9.228 9.076 0.152 17551 517 1 1 . 1 1 93 93 ASP N N 93 121.654 121.654 122.471 -0.817 17551 518 1 1 . 1 1 93 93 ASP HA H 93 5.342 5.342 4.898 0.444 17551 519 1 1 . 1 1 93 93 ASP C C 93 173.521 173.521 174.646 -1.125 17551 520 1 1 . 1 1 93 93 ASP CA C 93 53.658 53.658 53.446 0.212 17551 521 1 1 . 1 1 93 93 ASP CB C 93 44.462 44.462 42.488 1.974 17551 522 1 1 . 1 1 93 93 ASP H H 93 8.326 8.326 7.731 0.595 17551 523 1 1 . 1 1 94 94 PHE N N 94 122.296 122.296 123.123 -0.827 17551 524 1 1 . 1 1 94 94 PHE HA H 94 5.024 5.024 4.852 0.172 17551 525 1 1 . 1 1 94 94 PHE CA C 94 53.952 53.952 55.497 -1.545 17551 526 1 1 . 1 1 94 94 PHE CB C 94 38.958 38.958 42.630 -3.672 17551 527 1 1 . 1 1 94 94 PHE H H 94 8.776 8.776 8.027 0.749 17551 528 1 1 . 1 1 95 95 PRO HA H 95 4.396 4.396 4.452 -0.056 17551 529 1 1 . 1 1 95 95 PRO C C 95 177.375 177.375 176.781 0.594 17551 530 1 1 . 1 1 95 95 PRO CA C 95 64.386 64.386 63.867 0.519 17551 531 1 1 . 1 1 95 95 PRO CB C 95 30.432 30.432 31.328 -0.896 17551 532 1 1 . 1 1 96 96 ASN N N 96 120.924 120.924 118.768 2.156 17551 533 1 1 . 1 1 96 96 ASN HA H 96 4.619 4.619 4.420 0.199 17551 534 1 1 . 1 1 96 96 ASN C C 96 174.189 174.189 173.317 0.872 17551 535 1 1 . 1 1 96 96 ASN CA C 96 53.442 53.442 54.359 -0.917 17551 536 1 1 . 1 1 96 96 ASN CB C 96 38.069 38.069 37.718 0.351 17551 537 1 1 . 1 1 96 96 ASN H H 96 9.183 9.183 8.936 0.247 17551 538 1 1 . 1 1 97 97 TYR N N 97 120.943 120.943 118.982 1.961 17551 539 1 1 . 1 1 97 97 TYR HA H 97 4.804 4.804 5.659 -0.855 17551 540 1 1 . 1 1 97 97 TYR C C 97 172.713 172.713 173.520 -0.807 17551 541 1 1 . 1 1 97 97 TYR CA C 97 59.314 59.314 57.206 2.107 17551 542 1 1 . 1 1 97 97 TYR CB C 97 40.512 40.512 41.410 -0.898 17551 543 1 1 . 1 1 97 97 TYR H H 97 8.066 8.066 7.597 0.469 17551 544 1 1 . 1 1 98 98 HIS N N 98 128.370 128.370 128.295 0.075 17551 545 1 1 . 1 1 98 98 HIS HA H 98 5.466 5.466 5.261 0.205 17551 546 1 1 . 1 1 98 98 HIS C C 98 172.821 172.821 173.375 -0.554 17551 547 1 1 . 1 1 98 98 HIS CA C 98 54.311 54.311 54.834 -0.523 17551 548 1 1 . 1 1 98 98 HIS CB C 98 31.053 31.053 32.632 -1.579 17551 549 1 1 . 1 1 98 98 HIS H H 98 8.786 8.786 9.081 -0.295 17551 550 1 1 . 1 1 99 99 HIS N N 99 130.146 130.146 129.720 0.426 17551 551 1 1 . 1 1 99 99 HIS HA H 99 5.689 5.689 5.828 -0.139 17551 552 1 1 . 1 1 99 99 HIS C C 99 173.405 173.405 174.065 -0.660 17551 553 1 1 . 1 1 99 99 HIS CA C 99 55.101 55.101 53.919 1.182 17551 554 1 1 . 1 1 99 99 HIS CB C 99 34.888 34.888 32.338 2.550 17551 555 1 1 . 1 1 99 99 HIS H H 99 8.963 8.963 8.337 0.626 17551 556 1 1 . 1 1 100 100 THR N N 100 117.843 117.843 119.649 -1.806 17551 557 1 1 . 1 1 100 100 THR HA H 100 5.597 5.597 5.397 0.200 17551 558 1 1 . 1 1 100 100 THR C C 100 172.563 172.563 172.500 0.063 17551 559 1 1 . 1 1 100 100 THR CA C 100 57.863 57.863 59.989 -2.126 17551 560 1 1 . 1 1 100 100 THR CB C 100 71.830 71.830 71.541 0.289 17551 561 1 1 . 1 1 100 100 THR H H 100 8.871 8.871 8.636 0.235 17551 562 1 1 . 1 1 101 101 ALA N N 101 121.591 121.591 127.428 -5.837 17551 563 1 1 . 1 1 101 101 ALA HA H 101 5.318 5.318 5.314 0.004 17551 564 1 1 . 1 1 101 101 ALA C C 101 175.540 175.540 175.599 -0.059 17551 565 1 1 . 1 1 101 101 ALA CA C 101 50.320 50.320 49.976 0.344 17551 566 1 1 . 1 1 101 101 ALA CB C 101 22.819 22.819 21.781 1.038 17551 567 1 1 . 1 1 101 101 ALA H H 101 8.825 8.825 9.072 -0.247 17551 568 1 1 . 1 1 102 102 GLU N N 102 118.491 118.491 120.775 -2.284 17551 569 1 1 . 1 1 102 102 GLU HA H 102 5.194 5.194 4.988 0.206 17551 570 1 1 . 1 1 102 102 GLU C C 102 172.497 172.497 174.177 -1.680 17551 571 1 1 . 1 1 102 102 GLU CA C 102 53.879 53.879 54.704 -0.825 17551 572 1 1 . 1 1 102 102 GLU H H 102 8.785 8.785 8.404 0.381 17551 573 1 1 . 1 1 103 103 ILE N N 103 121.813 121.813 121.504 0.309 17551 574 1 1 . 1 1 103 103 ILE HA H 103 5.129 5.129 5.128 0.001 17551 575 1 1 . 1 1 103 103 ILE C C 103 177.119 177.119 176.270 0.849 17551 576 1 1 . 1 1 103 103 ILE CA C 103 56.631 56.631 59.207 -2.576 17551 577 1 1 . 1 1 103 103 ILE CB C 103 34.564 34.564 38.254 -3.690 17551 578 1 1 . 1 1 103 103 ILE H H 103 8.442 8.442 8.548 -0.106 17551 579 1 1 . 1 1 104 104 SER N N 104 122.295 122.295 123.879 -1.584 17551 580 1 1 . 1 1 104 104 SER HA H 104 4.783 4.783 4.701 0.082 17551 581 1 1 . 1 1 104 104 SER CA C 104 55.521 55.521 57.360 -1.839 17551 582 1 1 . 1 1 104 104 SER CB C 104 63.426 63.426 62.883 0.543 17551 583 1 1 . 1 1 104 104 SER H H 104 9.119 9.119 9.137 -0.018 17551 584 1 1 . 1 1 105 105 GLY C C 105 175.730 175.730 174.821 0.909 17551 585 1 1 . 1 1 105 105 GLY CA C 105 46.925 46.925 44.763 2.162 17551 586 1 1 . 1 1 106 106 GLY N N 106 105.123 105.123 104.883 0.240 17551 587 1 1 . 1 1 106 106 GLY C C 106 173.229 173.229 173.001 0.228 17551 588 1 1 . 1 1 106 106 GLY CA C 106 44.771 44.771 45.017 -0.246 17551 589 1 1 . 1 1 106 106 GLY H H 106 8.476 8.476 8.424 0.052 17551 590 1 1 . 1 1 107 107 LYS N N 107 119.187 119.187 118.608 0.579 17551 591 1 1 . 1 1 107 107 LYS HA H 107 4.856 4.856 4.814 0.042 17551 592 1 1 . 1 1 107 107 LYS C C 107 174.072 174.072 174.318 -0.246 17551 593 1 1 . 1 1 107 107 LYS CA C 107 54.240 54.240 54.738 -0.498 17551 594 1 1 . 1 1 107 107 LYS CB C 107 34.508 34.508 35.774 -1.266 17551 595 1 1 . 1 1 107 107 LYS H H 107 7.639 7.639 7.339 0.300 17551 596 1 1 . 1 1 108 108 LEU N N 108 122.725 122.725 125.914 -3.189 17551 597 1 1 . 1 1 108 108 LEU HA H 108 4.793 4.793 5.084 -0.291 17551 598 1 1 . 1 1 108 108 LEU C C 108 174.906 174.906 174.544 0.362 17551 599 1 1 . 1 1 108 108 LEU CA C 108 54.275 54.275 53.562 0.713 17551 600 1 1 . 1 1 108 108 LEU CB C 108 42.801 42.801 43.126 -0.325 17551 601 1 1 . 1 1 108 108 LEU H H 108 8.481 8.481 8.981 -0.500 17551 602 1 1 . 1 1 109 109 VAL N N 109 130.844 130.844 127.440 3.404 17551 603 1 1 . 1 1 109 109 VAL HA H 109 4.953 4.953 5.033 -0.080 17551 604 1 1 . 1 1 109 109 VAL C C 109 176.004 176.004 173.984 2.020 17551 605 1 1 . 1 1 109 109 VAL CA C 109 61.541 61.541 59.265 2.276 17551 606 1 1 . 1 1 109 109 VAL CB C 109 32.721 32.721 34.413 -1.692 17551 607 1 1 . 1 1 109 109 VAL H H 109 9.391 9.391 9.020 0.371 17551 608 1 1 . 1 1 110 110 GLU N N 110 130.618 130.618 129.209 1.409 17551 609 1 1 . 1 1 110 110 GLU HA H 110 5.393 5.393 4.957 0.436 17551 610 1 1 . 1 1 110 110 GLU C C 110 175.537 175.537 175.334 0.203 17551 611 1 1 . 1 1 110 110 GLU CA C 110 53.476 53.476 54.628 -1.152 17551 612 1 1 . 1 1 110 110 GLU H H 110 9.386 9.386 8.348 1.038 17551 613 1 1 . 1 1 111 111 ILE N N 111 126.952 126.952 127.150 -0.198 17551 614 1 1 . 1 1 111 111 ILE HA H 111 4.910 4.910 4.635 0.275 17551 615 1 1 . 1 1 111 111 ILE C C 111 175.156 175.156 174.929 0.227 17551 616 1 1 . 1 1 111 111 ILE CA C 111 59.562 59.562 60.089 -0.527 17551 617 1 1 . 1 1 111 111 ILE CB C 111 39.029 39.029 39.765 -0.736 17551 618 1 1 . 1 1 111 111 ILE H H 111 8.912 8.912 8.875 0.037 17551 619 1 1 . 1 1 112 112 SER N N 112 125.389 125.389 125.274 0.115 17551 620 1 1 . 1 1 112 112 SER HA H 112 5.524 5.524 5.430 0.094 17551 621 1 1 . 1 1 112 112 SER C C 112 172.120 172.120 174.045 -1.925 17551 622 1 1 . 1 1 112 112 SER CA C 112 55.756 55.756 56.737 -0.981 17551 623 1 1 . 1 1 112 112 SER CB C 112 64.025 64.025 64.419 -0.394 17551 624 1 1 . 1 1 112 112 SER H H 112 9.495 9.495 9.119 0.376 17551 625 1 1 . 1 1 113 113 THR N N 113 119.329 119.329 122.800 -3.471 17551 626 1 1 . 1 1 113 113 THR HA H 113 5.633 5.633 5.362 0.271 17551 627 1 1 . 1 1 113 113 THR C C 113 174.911 174.911 173.939 0.972 17551 628 1 1 . 1 1 113 113 THR CA C 113 60.362 60.362 61.490 -1.128 17551 629 1 1 . 1 1 113 113 THR CB C 113 70.377 70.377 69.988 0.389 17551 630 1 1 . 1 1 113 113 THR H H 113 9.274 9.274 9.095 0.179 17551 631 1 1 . 1 1 114 114 SER N N 114 121.027 121.027 120.792 0.235 17551 632 1 1 . 1 1 114 114 SER HA H 114 4.479 4.479 5.243 -0.764 17551 633 1 1 . 1 1 114 114 SER C C 114 174.507 174.507 173.891 0.616 17551 634 1 1 . 1 1 114 114 SER CA C 114 57.423 57.423 57.555 -0.132 17551 635 1 1 . 1 1 114 114 SER CB C 114 64.798 64.798 64.535 0.263 17551 636 1 1 . 1 1 114 114 SER H H 114 8.657 8.657 8.827 -0.170 17551 637 1 1 . 1 1 115 115 SER N N 115 122.405 122.405 123.060 -0.655 17551 638 1 1 . 1 1 115 115 SER HA H 115 4.092 4.092 4.181 -0.089 17551 639 1 1 . 1 1 115 115 SER C C 115 174.387 174.387 174.069 0.318 17551 640 1 1 . 1 1 115 115 SER CA C 115 58.417 58.417 59.550 -1.133 17551 641 1 1 . 1 1 115 115 SER CB C 115 61.860 61.860 61.652 0.208 17551 642 1 1 . 1 1 115 115 SER H H 115 9.265 9.265 9.539 -0.274 17551 643 1 1 . 1 1 116 116 GLY N N 116 103.741 103.741 104.203 -0.462 17551 644 1 1 . 1 1 116 116 GLY C C 116 173.618 173.618 174.112 -0.494 17551 645 1 1 . 1 1 116 116 GLY CA C 116 44.584 44.584 44.664 -0.080 17551 646 1 1 . 1 1 116 116 GLY H H 116 8.730 8.730 8.326 0.404 17551 647 1 1 . 1 1 117 117 VAL N N 117 123.819 123.819 124.690 -0.871 17551 648 1 1 . 1 1 117 117 VAL HA H 117 4.242 4.242 4.102 0.140 17551 649 1 1 . 1 1 117 117 VAL C C 117 173.712 173.712 175.292 -1.580 17551 650 1 1 . 1 1 117 117 VAL CA C 117 61.946 61.946 62.701 -0.755 17551 651 1 1 . 1 1 117 117 VAL CB C 117 32.244 32.244 32.428 -0.184 17551 652 1 1 . 1 1 117 117 VAL H H 117 8.177 8.177 7.808 0.369 17551 653 1 1 . 1 1 118 118 VAL N N 118 127.074 127.074 128.546 -1.472 17551 654 1 1 . 1 1 118 118 VAL HA H 118 4.519 4.519 4.269 0.250 17551 655 1 1 . 1 1 118 118 VAL C C 118 174.793 174.793 174.886 -0.093 17551 656 1 1 . 1 1 118 118 VAL CA C 118 61.227 61.227 61.778 -0.551 17551 657 1 1 . 1 1 118 118 VAL CB C 118 32.503 32.503 31.377 1.127 17551 658 1 1 . 1 1 118 118 VAL H H 118 8.441 8.441 8.522 -0.081 17551 659 1 1 . 1 1 119 119 TYR N N 119 131.178 131.178 130.943 0.235 17551 660 1 1 . 1 1 119 119 TYR HA H 119 5.095 5.095 4.928 0.167 17551 661 1 1 . 1 1 119 119 TYR C C 119 173.029 173.029 173.826 -0.797 17551 662 1 1 . 1 1 119 119 TYR CA C 119 54.862 54.862 55.829 -0.967 17551 663 1 1 . 1 1 119 119 TYR CB C 119 40.213 40.213 40.315 -0.102 17551 664 1 1 . 1 1 119 119 TYR H H 119 9.315 9.315 9.134 0.181 17551 665 1 1 . 1 1 120 120 LYS N N 120 126.654 126.654 127.529 -0.875 17551 666 1 1 . 1 1 120 120 LYS HA H 120 4.922 4.922 5.124 -0.202 17551 667 1 1 . 1 1 120 120 LYS C C 120 173.813 173.813 174.764 -0.951 17551 668 1 1 . 1 1 120 120 LYS CA C 120 53.685 53.685 54.037 -0.352 17551 669 1 1 . 1 1 120 120 LYS CB C 120 36.014 36.014 36.201 -0.187 17551 670 1 1 . 1 1 120 120 LYS H H 120 7.342 7.342 8.617 -1.275 17551 671 1 1 . 1 1 121 121 ARG N N 121 124.124 124.124 121.711 2.413 17551 672 1 1 . 1 1 121 121 ARG HA H 121 4.798 4.798 4.818 -0.020 17551 673 1 1 . 1 1 121 121 ARG C C 121 174.874 174.874 174.777 0.097 17551 674 1 1 . 1 1 121 121 ARG CB C 121 34.257 34.257 32.085 2.172 17551 675 1 1 . 1 1 121 121 ARG H H 121 9.087 9.087 8.309 0.778 17551 676 1 1 . 1 1 122 122 THR N N 122 122.859 122.859 122.427 0.432 17551 677 1 1 . 1 1 122 122 THR HA H 122 5.224 5.224 5.126 0.098 17551 678 1 1 . 1 1 122 122 THR C C 122 174.321 174.321 174.208 0.113 17551 679 1 1 . 1 1 122 122 THR CA C 122 62.177 62.177 61.884 0.293 17551 680 1 1 . 1 1 122 122 THR CB C 122 69.459 69.459 69.672 -0.213 17551 681 1 1 . 1 1 122 122 THR H H 122 9.358 9.358 8.802 0.556 17551 682 1 1 . 1 1 123 123 SER N N 123 123.389 123.389 123.116 0.273 17551 683 1 1 . 1 1 123 123 SER HA H 123 5.196 5.196 5.301 -0.105 17551 684 1 1 . 1 1 123 123 SER C C 123 172.464 172.464 173.458 -0.994 17551 685 1 1 . 1 1 123 123 SER CA C 123 57.571 57.571 57.196 0.375 17551 686 1 1 . 1 1 123 123 SER CB C 123 65.697 65.697 66.173 -0.476 17551 687 1 1 . 1 1 123 123 SER H H 123 9.749 9.749 9.311 0.438 17551 688 1 1 . 1 1 124 124 LYS N N 124 125.058 125.058 123.730 1.328 17551 689 1 1 . 1 1 124 124 LYS HA H 124 4.681 4.681 4.524 0.157 17551 690 1 1 . 1 1 124 124 LYS C C 124 175.141 175.141 175.888 -0.747 17551 691 1 1 . 1 1 124 124 LYS CA C 124 54.444 54.444 55.820 -1.376 17551 692 1 1 . 1 1 124 124 LYS CB C 124 33.492 33.492 33.773 -0.281 17551 693 1 1 . 1 1 124 124 LYS H H 124 8.808 8.808 8.568 0.240 17551 694 1 1 . 1 1 125 125 LYS N N 125 126.114 126.114 123.918 2.196 17551 695 1 1 . 1 1 125 125 LYS HA H 125 4.367 4.367 5.050 -0.683 17551 696 1 1 . 1 1 125 125 LYS C C 125 176.828 176.828 175.634 1.194 17551 697 1 1 . 1 1 125 125 LYS CA C 125 56.752 56.752 55.078 1.674 17551 698 1 1 . 1 1 125 125 LYS CB C 125 32.912 32.912 32.471 0.440 17551 699 1 1 . 1 1 125 125 LYS H H 125 9.215 9.215 8.441 0.774 17551 700 1 1 . 1 1 126 126 ILE N N 126 125.207 125.207 124.869 0.338 17551 701 1 1 . 1 1 126 126 ILE HA H 126 4.302 4.302 4.595 -0.293 17551 702 1 1 . 1 1 126 126 ILE C C 126 175.240 175.240 173.807 1.433 17551 703 1 1 . 1 1 126 126 ILE CA C 126 60.067 60.067 59.588 0.479 17551 704 1 1 . 1 1 126 126 ILE CB C 126 38.611 38.611 41.705 -3.094 17551 705 1 1 . 1 1 126 126 ILE H H 126 8.777 8.777 8.658 0.119 17551 706 1 2 . 1 1 2 2 PHE N N 2 114.421 114.421 118.288 -3.867 17551 707 1 2 . 1 1 2 2 PHE HA H 2 4.205 4.205 4.923 -0.718 17551 708 1 2 . 1 1 2 2 PHE C C 2 177.675 177.675 176.806 0.869 17551 709 1 2 . 1 1 2 2 PHE CA C 2 59.748 59.748 57.652 2.096 17551 710 1 2 . 1 1 2 2 PHE CB C 2 41.014 41.014 39.368 1.646 17551 711 1 2 . 1 1 2 2 PHE H H 2 9.501 9.501 8.378 1.123 17551 712 1 2 . 1 1 3 3 THR N N 3 118.304 118.304 115.644 2.660 17551 713 1 2 . 1 1 3 3 THR HA H 3 4.021 4.021 4.425 -0.404 17551 714 1 2 . 1 1 3 3 THR C C 3 173.811 173.811 175.345 -1.534 17551 715 1 2 . 1 1 3 3 THR CA C 3 63.646 63.646 64.281 -0.635 17551 716 1 2 . 1 1 3 3 THR CB C 3 69.230 69.230 69.132 0.098 17551 717 1 2 . 1 1 3 3 THR H H 3 7.721 7.721 7.930 -0.209 17551 718 1 2 . 1 1 4 4 GLY N N 4 113.320 113.320 113.071 0.249 17551 719 1 2 . 1 1 4 4 GLY C C 4 169.382 169.382 171.944 -2.562 17551 720 1 2 . 1 1 4 4 GLY CA C 4 44.343 44.343 44.578 -0.235 17551 721 1 2 . 1 1 4 4 GLY H H 4 8.881 8.881 8.701 0.180 17551 722 1 2 . 1 1 5 5 LYS N N 5 120.330 120.330 120.755 -0.425 17551 723 1 2 . 1 1 5 5 LYS HA H 5 5.255 5.255 5.336 -0.081 17551 724 1 2 . 1 1 5 5 LYS C C 5 174.306 174.306 174.874 -0.568 17551 725 1 2 . 1 1 5 5 LYS CA C 5 54.232 54.232 54.317 -0.085 17551 726 1 2 . 1 1 5 5 LYS CB C 5 35.137 35.137 35.217 -0.080 17551 727 1 2 . 1 1 5 5 LYS H H 5 7.914 7.914 7.942 -0.028 17551 728 1 2 . 1 1 6 6 TYR N N 6 122.260 122.260 122.700 -0.440 17551 729 1 2 . 1 1 6 6 TYR HA H 6 5.617 5.617 5.780 -0.163 17551 730 1 2 . 1 1 6 6 TYR C C 6 174.519 174.519 175.523 -1.004 17551 731 1 2 . 1 1 6 6 TYR CA C 6 55.158 55.158 56.234 -1.076 17551 732 1 2 . 1 1 6 6 TYR CB C 6 41.637 41.637 42.526 -0.888 17551 733 1 2 . 1 1 6 6 TYR H H 6 9.736 9.736 8.907 0.829 17551 734 1 2 . 1 1 7 7 GLU N N 7 122.025 122.025 120.333 1.692 17551 735 1 2 . 1 1 7 7 GLU HA H 7 5.096 5.096 4.828 0.268 17551 736 1 2 . 1 1 7 7 GLU C C 7 174.888 174.888 175.143 -0.255 17551 737 1 2 . 1 1 7 7 GLU CA C 7 53.988 53.988 53.790 0.198 17551 738 1 2 . 1 1 7 7 GLU CB C 7 33.716 33.716 34.561 -0.845 17551 739 1 2 . 1 1 7 7 GLU H H 7 9.461 9.461 8.608 0.853 17551 740 1 2 . 1 1 8 8 PHE N N 8 126.529 126.529 123.132 3.397 17551 741 1 2 . 1 1 8 8 PHE HA H 8 4.599 4.599 4.442 0.157 17551 742 1 2 . 1 1 8 8 PHE C C 8 172.999 172.999 175.087 -2.088 17551 743 1 2 . 1 1 8 8 PHE CA C 8 59.847 59.847 58.693 1.154 17551 744 1 2 . 1 1 8 8 PHE CB C 8 40.687 40.687 38.941 1.746 17551 745 1 2 . 1 1 8 8 PHE H H 8 7.986 7.986 8.759 -0.773 17551 746 1 2 . 1 1 9 9 GLU N N 9 129.046 129.046 128.017 1.029 17551 747 1 2 . 1 1 9 9 GLU HA H 9 4.306 4.306 4.167 0.139 17551 748 1 2 . 1 1 9 9 GLU C C 9 174.528 174.528 175.618 -1.090 17551 749 1 2 . 1 1 9 9 GLU CA C 9 56.545 56.545 56.563 -0.018 17551 750 1 2 . 1 1 9 9 GLU CB C 9 32.798 32.798 31.229 1.569 17551 751 1 2 . 1 1 9 9 GLU H H 9 9.151 9.151 8.687 0.465 17551 752 1 2 . 1 1 10 10 SER N N 10 111.041 111.041 113.251 -2.210 17551 753 1 2 . 1 1 10 10 SER HA H 10 4.258 4.258 4.580 -0.322 17551 754 1 2 . 1 1 10 10 SER C C 10 171.216 171.216 171.979 -0.763 17551 755 1 2 . 1 1 10 10 SER CA C 10 57.930 57.930 57.532 0.398 17551 756 1 2 . 1 1 10 10 SER CB C 10 64.720 64.720 66.055 -1.335 17551 757 1 2 . 1 1 10 10 SER H H 10 7.612 7.612 7.820 -0.208 17551 758 1 2 . 1 1 11 11 ASP N N 11 118.058 118.058 119.868 -1.810 17551 759 1 2 . 1 1 11 11 ASP HA H 11 5.500 5.500 5.288 0.212 17551 760 1 2 . 1 1 11 11 ASP C C 11 174.845 174.845 174.987 -0.142 17551 761 1 2 . 1 1 11 11 ASP CA C 11 51.633 51.633 53.310 -1.677 17551 762 1 2 . 1 1 11 11 ASP H H 11 8.632 8.632 8.428 0.204 17551 763 1 2 . 1 1 12 12 GLU N N 12 117.523 117.523 120.671 -3.148 17551 764 1 2 . 1 1 12 12 GLU HA H 12 4.782 4.782 4.668 0.114 17551 765 1 2 . 1 1 12 12 GLU C C 12 175.293 175.293 175.890 -0.597 17551 766 1 2 . 1 1 12 12 GLU CB C 12 33.450 33.450 33.475 -0.025 17551 767 1 2 . 1 1 12 12 GLU H H 12 8.562 8.562 9.117 -0.555 17551 768 1 2 . 1 1 13 13 ASN N N 13 118.877 118.877 122.615 -3.738 17551 769 1 2 . 1 1 13 13 ASN HA H 13 4.742 4.742 4.493 0.249 17551 770 1 2 . 1 1 13 13 ASN C C 13 175.303 175.303 175.084 0.219 17551 771 1 2 . 1 1 13 13 ASN CA C 13 53.373 53.373 54.138 -0.765 17551 772 1 2 . 1 1 13 13 ASN CB C 13 37.207 37.207 37.937 -0.730 17551 773 1 2 . 1 1 13 13 ASN H H 13 9.110 9.110 9.177 -0.067 17551 774 1 2 . 1 1 14 14 TYR N N 14 118.061 118.061 120.403 -2.342 17551 775 1 2 . 1 1 14 14 TYR HA H 14 4.015 4.015 4.108 -0.093 17551 776 1 2 . 1 1 14 14 TYR C C 14 176.581 176.581 176.618 -0.037 17551 777 1 2 . 1 1 14 14 TYR CA C 14 62.797 62.797 62.619 0.178 17551 778 1 2 . 1 1 14 14 TYR CB C 14 38.998 38.998 38.797 0.201 17551 779 1 2 . 1 1 14 14 TYR H H 14 8.731 8.731 8.471 0.260 17551 780 1 2 . 1 1 15 15 ASP N N 15 115.317 115.317 118.642 -3.325 17551 781 1 2 . 1 1 15 15 ASP HA H 15 4.112 4.112 4.344 -0.232 17551 782 1 2 . 1 1 15 15 ASP C C 15 178.333 178.333 178.266 0.067 17551 783 1 2 . 1 1 15 15 ASP CA C 15 57.819 57.819 59.039 -1.220 17551 784 1 2 . 1 1 15 15 ASP CB C 15 40.410 40.410 40.232 0.178 17551 785 1 2 . 1 1 15 15 ASP H H 15 8.316 8.316 8.965 -0.649 17551 786 1 2 . 1 1 16 16 ASP N N 16 117.774 117.774 119.009 -1.235 17551 787 1 2 . 1 1 16 16 ASP HA H 16 4.392 4.392 4.405 -0.013 17551 788 1 2 . 1 1 16 16 ASP C C 16 178.597 178.597 178.197 0.400 17551 789 1 2 . 1 1 16 16 ASP CA C 16 56.348 56.348 57.163 -0.815 17551 790 1 2 . 1 1 16 16 ASP CB C 16 39.883 39.883 40.912 -1.029 17551 791 1 2 . 1 1 16 16 ASP H H 16 8.449 8.449 8.616 -0.167 17551 792 1 2 . 1 1 17 17 PHE N N 17 120.363 120.363 120.438 -0.075 17551 793 1 2 . 1 1 17 17 PHE HA H 17 4.068 4.068 4.133 -0.065 17551 794 1 2 . 1 1 17 17 PHE C C 17 176.755 176.755 176.989 -0.234 17551 795 1 2 . 1 1 17 17 PHE CA C 17 61.840 61.840 60.910 0.930 17551 796 1 2 . 1 1 17 17 PHE CB C 17 39.794 39.794 39.212 0.582 17551 797 1 2 . 1 1 17 17 PHE H H 17 7.931 7.931 7.370 0.561 17551 798 1 2 . 1 1 18 18 VAL N N 18 110.180 110.180 116.977 -6.797 17551 799 1 2 . 1 1 18 18 VAL HA H 18 3.595 3.595 3.422 0.173 17551 800 1 2 . 1 1 18 18 VAL C C 18 178.434 178.434 177.819 0.615 17551 801 1 2 . 1 1 18 18 VAL CA C 18 64.697 64.697 66.411 -1.714 17551 802 1 2 . 1 1 18 18 VAL CB C 18 29.602 29.602 30.728 -1.126 17551 803 1 2 . 1 1 18 18 VAL H H 18 8.294 8.294 8.370 -0.076 17551 804 1 2 . 1 1 19 19 LYS N N 19 119.749 119.749 119.101 0.648 17551 805 1 2 . 1 1 19 19 LYS HA H 19 4.108 4.108 4.094 0.014 17551 806 1 2 . 1 1 19 19 LYS C C 19 179.796 179.796 179.201 0.595 17551 807 1 2 . 1 1 19 19 LYS CA C 19 58.320 58.320 58.410 -0.090 17551 808 1 2 . 1 1 19 19 LYS CB C 19 31.918 31.918 31.746 0.172 17551 809 1 2 . 1 1 19 19 LYS H H 19 7.382 7.382 8.459 -1.077 17551 810 1 2 . 1 1 20 20 LYS N N 20 121.187 121.187 119.691 1.496 17551 811 1 2 . 1 1 20 20 LYS HA H 20 4.071 4.071 4.098 -0.027 17551 812 1 2 . 1 1 20 20 LYS C C 20 179.071 179.071 178.500 0.571 17551 813 1 2 . 1 1 20 20 LYS CA C 20 57.347 57.347 58.126 -0.779 17551 814 1 2 . 1 1 20 20 LYS CB C 20 30.633 30.633 32.254 -1.621 17551 815 1 2 . 1 1 20 20 LYS H H 20 7.718 7.718 7.423 0.295 17551 816 1 2 . 1 1 21 21 ILE N N 21 109.363 109.363 111.931 -2.568 17551 817 1 2 . 1 1 21 21 ILE HA H 21 4.212 4.212 3.956 0.256 17551 818 1 2 . 1 1 21 21 ILE C C 21 176.366 176.366 176.453 -0.087 17551 819 1 2 . 1 1 21 21 ILE CA C 21 61.610 61.610 61.667 -0.057 17551 820 1 2 . 1 1 21 21 ILE CB C 21 36.968 36.968 37.899 -0.931 17551 821 1 2 . 1 1 21 21 ILE H H 21 7.591 7.591 7.550 0.041 17551 822 1 2 . 1 1 22 22 GLY N N 22 107.961 107.961 108.495 -0.534 17551 823 1 2 . 1 1 22 22 GLY C C 22 174.877 174.877 174.763 0.114 17551 824 1 2 . 1 1 22 22 GLY CA C 22 45.510 45.510 44.675 0.835 17551 825 1 2 . 1 1 22 22 GLY H H 22 7.260 7.260 7.393 -0.133 17551 826 1 2 . 1 1 23 23 LEU N N 23 120.597 120.597 122.660 -2.063 17551 827 1 2 . 1 1 23 23 LEU HA H 23 4.207 4.207 4.515 -0.308 17551 828 1 2 . 1 1 23 23 LEU CA C 23 52.923 52.923 52.564 0.359 17551 829 1 2 . 1 1 23 23 LEU CB C 23 42.241 42.241 42.395 -0.154 17551 830 1 2 . 1 1 23 23 LEU H H 23 7.314 7.314 7.789 -0.475 17551 831 1 2 . 1 1 24 24 PRO HA H 24 4.537 4.537 4.512 0.025 17551 832 1 2 . 1 1 24 24 PRO C C 24 177.702 177.702 177.294 0.408 17551 833 1 2 . 1 1 24 24 PRO CA C 24 61.891 61.891 62.334 -0.443 17551 834 1 2 . 1 1 24 24 PRO CB C 24 32.260 32.260 32.666 -0.406 17551 835 1 2 . 1 1 25 25 ALA N N 25 123.142 123.142 127.925 -4.783 17551 836 1 2 . 1 1 25 25 ALA HA H 25 3.935 3.935 3.994 -0.059 17551 837 1 2 . 1 1 25 25 ALA C C 25 179.461 179.461 179.480 -0.019 17551 838 1 2 . 1 1 25 25 ALA CA C 25 55.314 55.314 55.606 -0.292 17551 839 1 2 . 1 1 25 25 ALA CB C 25 18.220 18.220 18.501 -0.281 17551 840 1 2 . 1 1 25 25 ALA H H 25 8.738 8.738 8.744 -0.006 17551 841 1 2 . 1 1 26 26 ASP N N 26 115.440 115.440 117.576 -2.136 17551 842 1 2 . 1 1 26 26 ASP HA H 26 4.379 4.379 4.395 -0.016 17551 843 1 2 . 1 1 26 26 ASP C C 26 179.291 179.291 178.301 0.990 17551 844 1 2 . 1 1 26 26 ASP CA C 26 56.015 56.015 57.335 -1.320 17551 845 1 2 . 1 1 26 26 ASP CB C 26 38.136 38.136 40.291 -2.155 17551 846 1 2 . 1 1 26 26 ASP H H 26 8.971 8.971 8.744 0.227 17551 847 1 2 . 1 1 27 27 LYS N N 27 122.292 122.292 117.847 4.445 17551 848 1 2 . 1 1 27 27 LYS HA H 27 4.160 4.160 4.344 -0.184 17551 849 1 2 . 1 1 27 27 LYS C C 27 177.758 177.758 178.573 -0.815 17551 850 1 2 . 1 1 27 27 LYS CA C 27 58.022 58.022 56.887 1.135 17551 851 1 2 . 1 1 27 27 LYS CB C 27 31.334 31.334 32.708 -1.374 17551 852 1 2 . 1 1 27 27 LYS H H 27 7.434 7.434 7.611 -0.177 17551 853 1 2 . 1 1 28 28 ILE N N 28 119.737 119.737 122.266 -2.529 17551 854 1 2 . 1 1 28 28 ILE HA H 28 3.586 3.586 3.821 -0.235 17551 855 1 2 . 1 1 28 28 ILE C C 28 180.386 180.386 178.071 2.315 17551 856 1 2 . 1 1 28 28 ILE CA C 28 65.027 65.027 65.665 -0.638 17551 857 1 2 . 1 1 28 28 ILE CB C 28 37.002 37.002 37.954 -0.952 17551 858 1 2 . 1 1 28 28 ILE H H 28 8.016 8.016 8.583 -0.567 17551 859 1 2 . 1 1 29 29 GLU N N 29 117.216 117.216 117.265 -0.049 17551 860 1 2 . 1 1 29 29 GLU HA H 29 4.294 4.294 4.128 0.166 17551 861 1 2 . 1 1 29 29 GLU C C 29 179.024 179.024 179.032 -0.008 17551 862 1 2 . 1 1 29 29 GLU CA C 29 58.139 58.139 58.737 -0.598 17551 863 1 2 . 1 1 29 29 GLU CB C 29 28.028 28.028 29.403 -1.375 17551 864 1 2 . 1 1 29 29 GLU H H 29 7.755 7.755 8.158 -0.403 17551 865 1 2 . 1 1 30 30 MET N N 30 119.183 119.183 120.275 -1.092 17551 866 1 2 . 1 1 30 30 MET HA H 30 4.194 4.194 4.439 -0.245 17551 867 1 2 . 1 1 30 30 MET C C 30 177.683 177.683 177.058 0.625 17551 868 1 2 . 1 1 30 30 MET CA C 30 58.150 58.150 57.056 1.094 17551 869 1 2 . 1 1 30 30 MET CB C 30 33.162 33.162 33.014 0.148 17551 870 1 2 . 1 1 30 30 MET H H 30 7.659 7.659 7.656 0.003 17551 871 1 2 . 1 1 31 31 GLY N N 31 102.603 102.603 104.947 -2.344 17551 872 1 2 . 1 1 31 31 GLY C C 31 172.264 172.264 172.922 -0.658 17551 873 1 2 . 1 1 31 31 GLY CA C 31 45.433 45.433 44.643 0.790 17551 874 1 2 . 1 1 31 31 GLY H H 31 7.839 7.839 8.536 -0.697 17551 875 1 2 . 1 1 32 32 ARG N N 32 121.453 121.453 119.536 1.917 17551 876 1 2 . 1 1 32 32 ARG HA H 32 3.072 3.072 3.978 -0.906 17551 877 1 2 . 1 1 32 32 ARG C C 32 175.932 175.932 175.097 0.835 17551 878 1 2 . 1 1 32 32 ARG CA C 32 56.894 56.894 54.968 1.926 17551 879 1 2 . 1 1 32 32 ARG CB C 32 29.004 29.004 30.918 -1.914 17551 880 1 2 . 1 1 32 32 ARG H H 32 6.954 6.954 7.608 -0.654 17551 881 1 2 . 1 1 33 33 ASN N N 33 127.905 127.905 116.609 11.296 17551 882 1 2 . 1 1 33 33 ASN HA H 33 4.066 4.066 3.932 0.134 17551 883 1 2 . 1 1 33 33 ASN C C 33 173.939 173.939 174.008 -0.069 17551 884 1 2 . 1 1 33 33 ASN CA C 33 53.539 53.539 54.066 -0.527 17551 885 1 2 . 1 1 33 33 ASN CB C 33 37.017 37.017 37.860 -0.843 17551 886 1 2 . 1 1 33 33 ASN H H 33 8.990 8.990 8.242 0.748 17551 887 1 2 . 1 1 34 34 CYS N N 34 116.649 116.649 117.275 -0.626 17551 888 1 2 . 1 1 34 34 CYS HA H 34 4.018 4.018 4.379 -0.361 17551 889 1 2 . 1 1 34 34 CYS C C 34 175.384 175.384 174.542 0.842 17551 890 1 2 . 1 1 34 34 CYS CA C 34 57.216 57.216 57.915 -0.699 17551 891 1 2 . 1 1 34 34 CYS CB C 34 27.200 27.200 30.172 -2.972 17551 892 1 2 . 1 1 34 34 CYS H H 34 7.443 7.443 7.489 -0.046 17551 893 1 2 . 1 1 35 35 LYS N N 35 130.727 130.727 122.951 7.776 17551 894 1 2 . 1 1 35 35 LYS HA H 35 4.296 4.296 4.459 -0.163 17551 895 1 2 . 1 1 35 35 LYS C C 35 175.272 175.272 174.953 0.319 17551 896 1 2 . 1 1 35 35 LYS CA C 35 55.577 55.577 55.635 -0.058 17551 897 1 2 . 1 1 35 35 LYS CB C 35 29.487 29.487 31.047 -1.560 17551 898 1 2 . 1 1 35 35 LYS H H 35 8.691 8.691 8.363 0.328 17551 899 1 2 . 1 1 36 36 ILE N N 36 125.658 125.658 125.559 0.099 17551 900 1 2 . 1 1 36 36 ILE HA H 36 4.010 4.010 4.663 -0.653 17551 901 1 2 . 1 1 36 36 ILE C C 36 177.115 177.115 175.928 1.187 17551 902 1 2 . 1 1 36 36 ILE CA C 36 62.608 62.608 60.648 1.960 17551 903 1 2 . 1 1 36 36 ILE CB C 36 39.739 39.739 39.169 0.570 17551 904 1 2 . 1 1 36 36 ILE H H 36 7.658 7.658 7.792 -0.134 17551 905 1 2 . 1 1 37 37 VAL N N 37 130.730 130.730 130.073 0.657 17551 906 1 2 . 1 1 37 37 VAL HA H 37 5.105 5.105 4.940 0.165 17551 907 1 2 . 1 1 37 37 VAL C C 37 175.295 175.295 176.195 -0.900 17551 908 1 2 . 1 1 37 37 VAL CA C 37 60.845 60.845 61.568 -0.723 17551 909 1 2 . 1 1 37 37 VAL CB C 37 33.716 33.716 33.178 0.538 17551 910 1 2 . 1 1 37 37 VAL H H 37 7.909 7.909 8.768 -0.859 17551 911 1 2 . 1 1 38 38 THR N N 38 127.066 127.066 123.772 3.294 17551 912 1 2 . 1 1 38 38 THR HA H 38 5.405 5.405 5.333 0.072 17551 913 1 2 . 1 1 38 38 THR C C 38 174.035 174.035 174.009 0.026 17551 914 1 2 . 1 1 38 38 THR CA C 38 61.303 61.303 60.896 0.407 17551 915 1 2 . 1 1 38 38 THR CB C 38 70.474 70.474 69.144 1.330 17551 916 1 2 . 1 1 38 38 THR H H 38 9.393 9.393 9.158 0.235 17551 917 1 2 . 1 1 39 39 GLU N N 39 126.804 126.804 129.241 -2.437 17551 918 1 2 . 1 1 39 39 GLU HA H 39 5.216 5.216 4.528 0.688 17551 919 1 2 . 1 1 39 39 GLU C C 39 174.379 174.379 174.823 -0.444 17551 920 1 2 . 1 1 39 39 GLU CA C 39 54.232 54.232 56.066 -1.834 17551 921 1 2 . 1 1 39 39 GLU CB C 39 32.531 32.531 30.947 1.584 17551 922 1 2 . 1 1 39 39 GLU H H 39 9.728 9.728 8.760 0.968 17551 923 1 2 . 1 1 40 40 VAL N N 40 125.405 125.405 127.413 -2.008 17551 924 1 2 . 1 1 40 40 VAL HA H 40 4.859 4.859 5.242 -0.383 17551 925 1 2 . 1 1 40 40 VAL C C 40 176.139 176.139 174.684 1.455 17551 926 1 2 . 1 1 40 40 VAL CA C 40 60.091 60.091 61.264 -1.173 17551 927 1 2 . 1 1 40 40 VAL CB C 40 33.952 33.952 33.863 0.089 17551 928 1 2 . 1 1 40 40 VAL H H 40 9.326 9.326 8.768 0.558 17551 929 1 2 . 1 1 41 41 VAL N N 41 127.197 127.197 127.884 -0.687 17551 930 1 2 . 1 1 41 41 VAL HA H 41 4.144 4.144 4.557 -0.413 17551 931 1 2 . 1 1 41 41 VAL C C 41 173.604 173.604 173.298 0.306 17551 932 1 2 . 1 1 41 41 VAL CA C 41 62.522 62.522 59.423 3.099 17551 933 1 2 . 1 1 41 41 VAL CB C 41 33.757 33.757 35.685 -1.928 17551 934 1 2 . 1 1 41 41 VAL H H 41 8.811 8.811 8.591 0.220 17551 935 1 2 . 1 1 42 42 GLN N N 42 130.317 130.317 127.784 2.533 17551 936 1 2 . 1 1 42 42 GLN HA H 42 4.430 4.430 4.162 0.268 17551 937 1 2 . 1 1 42 42 GLN C C 42 174.239 174.239 174.436 -0.197 17551 938 1 2 . 1 1 42 42 GLN CA C 42 52.960 52.960 55.081 -2.120 17551 939 1 2 . 1 1 42 42 GLN CB C 42 29.877 29.877 29.698 0.179 17551 940 1 2 . 1 1 42 42 GLN H H 42 8.345 8.345 8.581 -0.235 17551 941 1 2 . 1 1 43 43 ASN N N 43 125.513 125.513 127.042 -1.529 17551 942 1 2 . 1 1 43 43 ASN HA H 43 4.826 4.826 4.867 -0.041 17551 943 1 2 . 1 1 43 43 ASN C C 43 175.350 175.350 175.277 0.073 17551 944 1 2 . 1 1 43 43 ASN CA C 43 51.303 51.303 52.076 -0.773 17551 945 1 2 . 1 1 43 43 ASN CB C 43 39.051 39.051 38.666 0.385 17551 946 1 2 . 1 1 43 43 ASN H H 43 8.772 8.772 8.336 0.436 17551 947 1 2 . 1 1 44 44 GLY N N 44 115.694 115.694 112.906 2.788 17551 948 1 2 . 1 1 44 44 GLY C C 44 173.199 173.199 174.896 -1.697 17551 949 1 2 . 1 1 44 44 GLY CA C 44 46.964 46.964 46.695 0.269 17551 950 1 2 . 1 1 44 44 GLY H H 44 9.187 9.187 8.526 0.661 17551 951 1 2 . 1 1 45 45 ASN N N 45 125.520 125.520 123.312 2.208 17551 952 1 2 . 1 1 45 45 ASN HA H 45 4.991 4.991 4.981 0.010 17551 953 1 2 . 1 1 45 45 ASN C C 45 173.822 173.822 173.029 0.793 17551 954 1 2 . 1 1 45 45 ASN CA C 45 52.215 52.215 52.452 -0.237 17551 955 1 2 . 1 1 45 45 ASN CB C 45 38.700 38.700 40.502 -1.802 17551 956 1 2 . 1 1 45 45 ASN H H 45 8.854 8.854 8.279 0.575 17551 957 1 2 . 1 1 46 46 ASP N N 46 120.842 120.842 121.259 -0.417 17551 958 1 2 . 1 1 46 46 ASP HA H 46 5.185 5.185 5.154 0.031 17551 959 1 2 . 1 1 46 46 ASP C C 46 174.705 174.705 174.500 0.205 17551 960 1 2 . 1 1 46 46 ASP CA C 46 53.658 53.658 53.321 0.337 17551 961 1 2 . 1 1 46 46 ASP CB C 46 41.025 41.025 41.298 -0.273 17551 962 1 2 . 1 1 46 46 ASP H H 46 7.921 7.921 7.529 0.392 17551 963 1 2 . 1 1 47 47 PHE N N 47 121.470 121.470 125.467 -3.997 17551 964 1 2 . 1 1 47 47 PHE HA H 47 5.161 5.161 5.365 -0.204 17551 965 1 2 . 1 1 47 47 PHE C C 47 177.125 177.125 175.243 1.882 17551 966 1 2 . 1 1 47 47 PHE CA C 47 56.591 56.591 55.892 0.699 17551 967 1 2 . 1 1 47 47 PHE CB C 47 44.035 44.035 42.499 1.536 17551 968 1 2 . 1 1 47 47 PHE H H 47 9.263 9.263 8.687 0.576 17551 969 1 2 . 1 1 48 48 THR N N 48 116.950 116.950 113.097 3.853 17551 970 1 2 . 1 1 48 48 THR HA H 48 4.861 4.861 4.990 -0.130 17551 971 1 2 . 1 1 48 48 THR C C 48 172.499 172.499 174.009 -1.510 17551 972 1 2 . 1 1 48 48 THR CA C 48 62.943 62.943 60.551 2.392 17551 973 1 2 . 1 1 48 48 THR CB C 48 70.360 70.360 71.079 -0.719 17551 974 1 2 . 1 1 48 48 THR H H 48 8.831 8.831 8.330 0.501 17551 975 1 2 . 1 1 49 49 TRP N N 49 132.266 132.266 126.295 5.971 17551 976 1 2 . 1 1 49 49 TRP HA H 49 4.955 4.955 5.059 -0.104 17551 977 1 2 . 1 1 49 49 TRP C C 49 175.842 175.842 174.784 1.058 17551 978 1 2 . 1 1 49 49 TRP CA C 49 57.286 57.286 56.506 0.780 17551 979 1 2 . 1 1 49 49 TRP CB C 49 31.894 31.894 32.520 -0.626 17551 980 1 2 . 1 1 49 49 TRP H H 49 9.914 9.914 9.654 0.260 17551 981 1 2 . 1 1 50 50 THR N N 50 131.707 131.707 123.428 8.279 17551 982 1 2 . 1 1 50 50 THR HA H 50 5.928 5.928 4.875 1.053 17551 983 1 2 . 1 1 50 50 THR C C 50 173.408 173.408 173.302 0.106 17551 984 1 2 . 1 1 50 50 THR CA C 50 60.993 60.993 61.859 -0.867 17551 985 1 2 . 1 1 50 50 THR CB C 50 70.957 70.957 69.921 1.036 17551 986 1 2 . 1 1 50 50 THR H H 50 9.524 9.524 8.234 1.290 17551 987 1 2 . 1 1 51 51 GLN N N 51 124.680 124.680 126.778 -2.098 17551 988 1 2 . 1 1 51 51 GLN HA H 51 5.056 5.056 5.252 -0.196 17551 989 1 2 . 1 1 51 51 GLN C C 51 175.328 175.328 174.916 0.412 17551 990 1 2 . 1 1 51 51 GLN CA C 51 56.309 56.309 54.511 1.798 17551 991 1 2 . 1 1 51 51 GLN CB C 51 29.046 29.046 30.553 -1.507 17551 992 1 2 . 1 1 51 51 GLN H H 51 9.456 9.456 9.078 0.378 17551 993 1 2 . 1 1 52 52 HIS N N 52 122.268 122.268 124.921 -2.653 17551 994 1 2 . 1 1 52 52 HIS HA H 52 5.051 5.051 4.924 0.127 17551 995 1 2 . 1 1 52 52 HIS C C 52 174.819 174.819 174.212 0.607 17551 996 1 2 . 1 1 52 52 HIS CA C 52 54.039 54.039 54.898 -0.859 17551 997 1 2 . 1 1 52 52 HIS CB C 52 29.432 29.432 31.572 -2.140 17551 998 1 2 . 1 1 52 52 HIS H H 52 9.534 9.534 9.056 0.478 17551 999 1 2 . 1 1 53 53 PHE N N 53 129.837 129.837 125.536 4.301 17551 1000 1 2 . 1 1 53 53 PHE HA H 53 4.584 4.584 4.891 -0.307 17551 1001 1 2 . 1 1 53 53 PHE CA C 53 56.312 56.312 54.536 1.776 17551 1002 1 2 . 1 1 53 53 PHE CB C 53 40.660 40.660 41.724 -1.064 17551 1003 1 2 . 1 1 53 53 PHE H H 53 8.641 8.641 8.677 -0.036 17551 1004 1 2 . 1 1 54 54 PRO HA H 54 4.291 4.291 4.284 0.007 17551 1005 1 2 . 1 1 54 54 PRO C C 54 177.389 177.389 176.857 0.532 17551 1006 1 2 . 1 1 54 54 PRO CA C 54 63.569 63.569 63.105 0.464 17551 1007 1 2 . 1 1 54 54 PRO CB C 54 30.471 30.471 30.820 -0.349 17551 1008 1 2 . 1 1 55 55 GLY N N 55 113.867 113.867 113.115 0.752 17551 1009 1 2 . 1 1 55 55 GLY C C 55 175.164 175.164 174.256 0.908 17551 1010 1 2 . 1 1 55 55 GLY CA C 55 45.258 45.258 45.306 -0.048 17551 1011 1 2 . 1 1 55 55 GLY H H 55 8.926 8.926 8.654 0.272 17551 1012 1 2 . 1 1 56 56 GLY N N 56 108.877 108.877 108.573 0.304 17551 1013 1 2 . 1 1 56 56 GLY C C 56 174.054 174.054 172.959 1.095 17551 1014 1 2 . 1 1 56 56 GLY CA C 56 44.534 44.534 44.864 -0.330 17551 1015 1 2 . 1 1 56 56 GLY H H 56 8.426 8.426 7.721 0.705 17551 1016 1 2 . 1 1 57 57 ARG N N 57 123.871 123.871 118.771 5.100 17551 1017 1 2 . 1 1 57 57 ARG HA H 57 4.483 4.483 4.508 -0.025 17551 1018 1 2 . 1 1 57 57 ARG C C 57 176.728 176.728 175.580 1.148 17551 1019 1 2 . 1 1 57 57 ARG CA C 57 56.217 56.217 56.418 -0.201 17551 1020 1 2 . 1 1 57 57 ARG CB C 57 31.388 31.388 30.738 0.650 17551 1021 1 2 . 1 1 57 57 ARG H H 57 8.474 8.474 8.358 0.116 17551 1022 1 2 . 1 1 58 58 THR N N 58 122.156 122.156 116.513 5.643 17551 1023 1 2 . 1 1 58 58 THR HA H 58 5.299 5.299 4.863 0.436 17551 1024 1 2 . 1 1 58 58 THR C C 58 174.092 174.092 174.427 -0.335 17551 1025 1 2 . 1 1 58 58 THR CA C 58 62.125 62.125 60.643 1.482 17551 1026 1 2 . 1 1 58 58 THR CB C 58 70.339 70.339 71.154 -0.815 17551 1027 1 2 . 1 1 58 58 THR H H 58 8.818 8.818 8.303 0.515 17551 1028 1 2 . 1 1 59 59 THR N N 59 127.287 127.287 121.132 6.155 17551 1029 1 2 . 1 1 59 59 THR HA H 59 4.505 4.505 4.641 -0.136 17551 1030 1 2 . 1 1 59 59 THR C C 59 172.626 172.626 172.659 -0.033 17551 1031 1 2 . 1 1 59 59 THR CA C 59 62.163 62.163 61.742 0.421 17551 1032 1 2 . 1 1 59 59 THR CB C 59 70.565 70.565 71.846 -1.280 17551 1033 1 2 . 1 1 59 59 THR H H 59 9.281 9.281 8.993 0.288 17551 1034 1 2 . 1 1 60 60 THR N N 60 123.658 123.658 120.007 3.651 17551 1035 1 2 . 1 1 60 60 THR HA H 60 5.105 5.105 4.924 0.181 17551 1036 1 2 . 1 1 60 60 THR C C 60 172.453 172.453 173.368 -0.915 17551 1037 1 2 . 1 1 60 60 THR CA C 60 61.277 61.277 61.501 -0.224 17551 1038 1 2 . 1 1 60 60 THR CB C 60 70.432 70.432 70.912 -0.480 17551 1039 1 2 . 1 1 60 60 THR H H 60 8.952 8.952 8.536 0.416 17551 1040 1 2 . 1 1 61 61 ASN N N 61 124.292 124.292 126.528 -2.236 17551 1041 1 2 . 1 1 61 61 ASN HA H 61 5.384 5.384 5.161 0.223 17551 1042 1 2 . 1 1 61 61 ASN C C 61 173.609 173.609 174.062 -0.453 17551 1043 1 2 . 1 1 61 61 ASN CA C 61 52.190 52.190 52.462 -0.272 17551 1044 1 2 . 1 1 61 61 ASN CB C 61 43.987 43.987 41.983 2.004 17551 1045 1 2 . 1 1 61 61 ASN H H 61 8.848 8.848 9.291 -0.443 17551 1046 1 2 . 1 1 62 62 SER N N 62 118.046 118.046 118.791 -0.745 17551 1047 1 2 . 1 1 62 62 SER HA H 62 5.659 5.659 5.134 0.525 17551 1048 1 2 . 1 1 62 62 SER C C 62 172.545 172.545 173.293 -0.748 17551 1049 1 2 . 1 1 62 62 SER CA C 62 56.974 56.974 57.418 -0.444 17551 1050 1 2 . 1 1 62 62 SER CB C 62 64.719 64.719 64.143 0.576 17551 1051 1 2 . 1 1 62 62 SER H H 62 8.986 8.986 8.819 0.167 17551 1052 1 2 . 1 1 63 63 PHE N N 63 118.769 118.769 120.338 -1.569 17551 1053 1 2 . 1 1 63 63 PHE HA H 63 5.016 5.016 5.021 -0.006 17551 1054 1 2 . 1 1 63 63 PHE C C 63 172.500 172.500 173.612 -1.112 17551 1055 1 2 . 1 1 63 63 PHE CA C 63 55.793 55.793 56.684 -0.891 17551 1056 1 2 . 1 1 63 63 PHE CB C 63 39.459 39.459 41.757 -2.298 17551 1057 1 2 . 1 1 63 63 PHE H H 63 8.514 8.514 8.648 -0.134 17551 1058 1 2 . 1 1 64 64 THR N N 64 120.318 120.318 119.107 1.211 17551 1059 1 2 . 1 1 64 64 THR HA H 64 5.617 5.617 4.888 0.729 17551 1060 1 2 . 1 1 64 64 THR C C 64 175.240 175.240 174.699 0.541 17551 1061 1 2 . 1 1 64 64 THR CA C 64 60.409 60.409 61.736 -1.327 17551 1062 1 2 . 1 1 64 64 THR CB C 64 71.213 71.213 70.006 1.207 17551 1063 1 2 . 1 1 64 64 THR H H 64 9.743 9.743 8.665 1.078 17551 1064 1 2 . 1 1 65 65 ILE N N 65 127.640 127.640 127.942 -0.302 17551 1065 1 2 . 1 1 65 65 ILE HA H 65 4.089 4.089 3.858 0.231 17551 1066 1 2 . 1 1 65 65 ILE C C 65 176.477 176.477 177.401 -0.924 17551 1067 1 2 . 1 1 65 65 ILE CA C 65 59.299 59.299 61.836 -2.537 17551 1068 1 2 . 1 1 65 65 ILE CB C 65 35.445 35.445 36.343 -0.898 17551 1069 1 2 . 1 1 65 65 ILE H H 65 8.961 8.961 9.023 -0.062 17551 1070 1 2 . 1 1 66 66 ASP N N 66 117.361 117.361 124.230 -6.869 17551 1071 1 2 . 1 1 66 66 ASP HA H 66 4.080 4.080 4.254 -0.174 17551 1072 1 2 . 1 1 66 66 ASP C C 66 174.730 174.730 174.326 0.404 17551 1073 1 2 . 1 1 66 66 ASP CA C 66 57.150 57.150 55.929 1.221 17551 1074 1 2 . 1 1 66 66 ASP CB C 66 38.442 38.442 40.620 -2.178 17551 1075 1 2 . 1 1 66 66 ASP H H 66 9.264 9.264 9.294 -0.030 17551 1076 1 2 . 1 1 67 67 LYS N N 67 121.171 121.171 118.860 2.311 17551 1077 1 2 . 1 1 67 67 LYS HA H 67 4.805 4.805 4.632 0.173 17551 1078 1 2 . 1 1 67 67 LYS C C 67 175.115 175.115 174.996 0.119 17551 1079 1 2 . 1 1 67 67 LYS CA C 67 53.900 53.900 54.671 -0.771 17551 1080 1 2 . 1 1 67 67 LYS CB C 67 34.256 34.256 35.621 -1.365 17551 1081 1 2 . 1 1 67 67 LYS H H 67 8.185 8.185 7.797 0.388 17551 1082 1 2 . 1 1 68 68 GLU N N 68 130.373 130.373 124.131 6.242 17551 1083 1 2 . 1 1 68 68 GLU HA H 68 4.194 4.194 4.493 -0.299 17551 1084 1 2 . 1 1 68 68 GLU C C 68 175.449 175.449 175.871 -0.422 17551 1085 1 2 . 1 1 68 68 GLU CA C 68 58.343 58.343 57.178 1.165 17551 1086 1 2 . 1 1 68 68 GLU H H 68 8.879 8.879 8.713 0.166 17551 1087 1 2 . 1 1 69 69 ALA N N 69 130.113 130.113 126.247 3.866 17551 1088 1 2 . 1 1 69 69 ALA HA H 69 4.924 4.924 4.602 0.322 17551 1089 1 2 . 1 1 69 69 ALA C C 69 175.797 175.797 175.130 0.667 17551 1090 1 2 . 1 1 69 69 ALA CA C 69 50.151 50.151 50.554 -0.403 17551 1091 1 2 . 1 1 69 69 ALA CB C 69 22.239 22.239 23.072 -0.833 17551 1092 1 2 . 1 1 69 69 ALA H H 69 8.864 8.864 8.936 -0.072 17551 1093 1 2 . 1 1 70 70 ASP N N 70 120.889 120.889 120.770 0.119 17551 1094 1 2 . 1 1 70 70 ASP HA H 70 4.852 4.852 5.170 -0.318 17551 1095 1 2 . 1 1 70 70 ASP C C 70 175.541 175.541 175.195 0.346 17551 1096 1 2 . 1 1 70 70 ASP CA C 70 54.211 54.211 53.228 0.983 17551 1097 1 2 . 1 1 70 70 ASP CB C 70 41.052 41.052 42.259 -1.207 17551 1098 1 2 . 1 1 70 70 ASP H H 70 8.319 8.319 8.639 -0.320 17551 1099 1 2 . 1 1 71 71 MET N N 71 125.005 125.005 122.708 2.297 17551 1100 1 2 . 1 1 71 71 MET HA H 71 4.743 4.743 4.909 -0.166 17551 1101 1 2 . 1 1 71 71 MET C C 71 174.047 174.047 173.626 0.421 17551 1102 1 2 . 1 1 71 71 MET CA C 71 54.265 54.265 53.911 0.354 17551 1103 1 2 . 1 1 71 71 MET CB C 71 39.844 39.844 37.732 2.112 17551 1104 1 2 . 1 1 71 71 MET H H 71 8.796 8.796 8.633 0.163 17551 1105 1 2 . 1 1 72 72 GLU N N 72 118.909 118.909 120.600 -1.691 17551 1106 1 2 . 1 1 72 72 GLU HA H 72 5.613 5.613 5.682 -0.069 17551 1107 1 2 . 1 1 72 72 GLU C C 72 176.109 176.109 175.733 0.376 17551 1108 1 2 . 1 1 72 72 GLU CA C 72 53.790 53.790 54.105 -0.315 17551 1109 1 2 . 1 1 72 72 GLU CB C 72 33.986 33.986 33.654 0.332 17551 1110 1 2 . 1 1 72 72 GLU H H 72 9.225 9.225 9.345 -0.120 17551 1111 1 2 . 1 1 73 73 THR N N 73 109.667 109.667 116.526 -6.859 17551 1112 1 2 . 1 1 73 73 THR HA H 73 4.538 4.538 4.628 -0.090 17551 1113 1 2 . 1 1 73 73 THR C C 73 176.660 176.660 175.136 1.524 17551 1114 1 2 . 1 1 73 73 THR CA C 73 59.666 59.666 60.690 -1.024 17551 1115 1 2 . 1 1 73 73 THR CB C 73 69.710 69.710 70.623 -0.913 17551 1116 1 2 . 1 1 73 73 THR H H 73 8.904 8.904 8.597 0.307 17551 1117 1 2 . 1 1 74 74 MET N N 74 117.519 117.519 115.645 1.874 17551 1118 1 2 . 1 1 74 74 MET HA H 74 4.776 4.776 4.581 0.195 17551 1119 1 2 . 1 1 74 74 MET C C 74 176.641 176.641 176.770 -0.129 17551 1120 1 2 . 1 1 74 74 MET CA C 74 58.631 58.631 56.862 1.769 17551 1121 1 2 . 1 1 74 74 MET H H 74 8.206 8.206 8.336 -0.130 17551 1122 1 2 . 1 1 75 75 GLY N N 75 103.810 103.810 104.626 -0.816 17551 1123 1 2 . 1 1 75 75 GLY C C 75 173.956 173.956 175.326 -1.370 17551 1124 1 2 . 1 1 75 75 GLY CA C 75 43.728 43.728 44.633 -0.905 17551 1125 1 2 . 1 1 75 75 GLY H H 75 8.067 8.067 7.558 0.509 17551 1126 1 2 . 1 1 76 76 GLY N N 76 108.498 108.498 109.087 -0.589 17551 1127 1 2 . 1 1 76 76 GLY C C 76 173.267 173.267 174.016 -0.749 17551 1128 1 2 . 1 1 76 76 GLY CA C 76 44.563 44.563 44.617 -0.054 17551 1129 1 2 . 1 1 76 76 GLY H H 76 7.702 7.702 7.721 -0.019 17551 1130 1 2 . 1 1 77 77 ARG N N 77 121.161 121.161 120.944 0.217 17551 1131 1 2 . 1 1 77 77 ARG HA H 77 4.348 4.348 4.581 -0.233 17551 1132 1 2 . 1 1 77 77 ARG C C 77 176.083 176.083 175.573 0.510 17551 1133 1 2 . 1 1 77 77 ARG CA C 77 55.350 55.350 54.796 0.554 17551 1134 1 2 . 1 1 77 77 ARG CB C 77 30.904 30.904 31.452 -0.548 17551 1135 1 2 . 1 1 77 77 ARG H H 77 7.328 7.328 7.897 -0.569 17551 1136 1 2 . 1 1 78 78 LYS N N 78 126.790 126.790 125.209 1.581 17551 1137 1 2 . 1 1 78 78 LYS HA H 78 5.147 5.147 5.028 0.119 17551 1138 1 2 . 1 1 78 78 LYS C C 78 176.961 176.961 176.235 0.726 17551 1139 1 2 . 1 1 78 78 LYS CA C 78 55.487 55.487 55.319 0.168 17551 1140 1 2 . 1 1 78 78 LYS CB C 78 32.769 32.769 33.174 -0.405 17551 1141 1 2 . 1 1 78 78 LYS H H 78 8.771 8.771 8.729 0.042 17551 1142 1 2 . 1 1 79 79 PHE N N 79 119.480 119.480 121.699 -2.219 17551 1143 1 2 . 1 1 79 79 PHE HA H 79 4.898 4.898 4.992 -0.094 17551 1144 1 2 . 1 1 79 79 PHE C C 79 171.587 171.587 173.049 -1.462 17551 1145 1 2 . 1 1 79 79 PHE CA C 79 55.817 55.817 56.508 -0.691 17551 1146 1 2 . 1 1 79 79 PHE CB C 79 40.702 40.702 40.755 -0.053 17551 1147 1 2 . 1 1 79 79 PHE H H 79 8.794 8.794 8.725 0.069 17551 1148 1 2 . 1 1 80 80 LYS N N 80 119.760 119.760 119.301 0.459 17551 1149 1 2 . 1 1 80 80 LYS HA H 80 5.460 5.460 5.374 0.086 17551 1150 1 2 . 1 1 80 80 LYS C C 80 176.538 176.538 175.629 0.909 17551 1151 1 2 . 1 1 80 80 LYS CA C 80 53.988 53.988 54.947 -0.959 17551 1152 1 2 . 1 1 80 80 LYS CB C 80 35.754 35.754 35.744 0.010 17551 1153 1 2 . 1 1 80 80 LYS H H 80 8.414 8.414 8.454 -0.040 17551 1154 1 2 . 1 1 81 81 ALA N N 81 121.171 121.171 125.320 -4.149 17551 1155 1 2 . 1 1 81 81 ALA HA H 81 4.738 4.738 4.590 0.148 17551 1156 1 2 . 1 1 81 81 ALA C C 81 175.290 175.290 174.938 0.352 17551 1157 1 2 . 1 1 81 81 ALA CA C 81 51.262 51.262 51.370 -0.108 17551 1158 1 2 . 1 1 81 81 ALA CB C 81 22.568 22.568 21.950 0.618 17551 1159 1 2 . 1 1 81 81 ALA H H 81 8.525 8.525 9.053 -0.528 17551 1160 1 2 . 1 1 82 82 THR N N 82 117.970 117.970 116.874 1.096 17551 1161 1 2 . 1 1 82 82 THR HA H 82 4.292 4.292 4.833 -0.541 17551 1162 1 2 . 1 1 82 82 THR C C 82 172.556 172.556 173.823 -1.267 17551 1163 1 2 . 1 1 82 82 THR CA C 82 61.640 61.640 61.854 -0.214 17551 1164 1 2 . 1 1 82 82 THR CB C 82 68.485 68.485 69.571 -1.086 17551 1165 1 2 . 1 1 82 82 THR H H 82 8.448 8.448 8.431 0.017 17551 1166 1 2 . 1 1 83 83 VAL N N 83 131.564 131.564 125.641 5.923 17551 1167 1 2 . 1 1 83 83 VAL HA H 83 3.784 3.784 4.593 -0.809 17551 1168 1 2 . 1 1 83 83 VAL C C 83 174.167 174.167 174.486 -0.319 17551 1169 1 2 . 1 1 83 83 VAL CA C 83 62.059 62.059 60.893 1.166 17551 1170 1 2 . 1 1 83 83 VAL CB C 83 31.076 31.076 33.795 -2.720 17551 1171 1 2 . 1 1 83 83 VAL H H 83 9.722 9.722 7.953 1.769 17551 1172 1 2 . 1 1 84 84 LYS N N 84 125.930 125.930 123.002 2.928 17551 1173 1 2 . 1 1 84 84 LYS HA H 84 4.851 4.851 4.743 0.108 17551 1174 1 2 . 1 1 84 84 LYS C C 84 175.025 175.025 174.130 0.895 17551 1175 1 2 . 1 1 84 84 LYS CA C 84 54.213 54.213 54.417 -0.204 17551 1176 1 2 . 1 1 84 84 LYS CB C 84 35.076 35.076 35.773 -0.697 17551 1177 1 2 . 1 1 84 84 LYS H H 84 8.541 8.541 9.190 -0.649 17551 1178 1 2 . 1 1 85 85 MET N N 85 119.366 119.366 120.108 -0.742 17551 1179 1 2 . 1 1 85 85 MET HA H 85 5.517 5.517 5.254 0.263 17551 1180 1 2 . 1 1 85 85 MET C C 85 175.698 175.698 175.183 0.515 17551 1181 1 2 . 1 1 85 85 MET CA C 85 54.256 54.256 54.636 -0.380 17551 1182 1 2 . 1 1 85 85 MET CB C 85 35.406 35.406 36.396 -0.990 17551 1183 1 2 . 1 1 85 85 MET H H 85 8.992 8.992 8.424 0.568 17551 1184 1 2 . 1 1 86 86 GLU N N 86 125.741 125.741 121.844 3.897 17551 1185 1 2 . 1 1 86 86 GLU HA H 86 4.654 4.654 4.651 0.003 17551 1186 1 2 . 1 1 86 86 GLU C C 86 177.223 177.223 176.965 0.258 17551 1187 1 2 . 1 1 86 86 GLU CA C 86 54.213 54.213 55.340 -1.127 17551 1188 1 2 . 1 1 86 86 GLU CB C 86 31.578 31.578 30.508 1.070 17551 1189 1 2 . 1 1 86 86 GLU H H 86 9.063 9.063 9.133 -0.070 17551 1190 1 2 . 1 1 87 87 GLY N N 87 117.720 117.720 114.119 3.601 17551 1191 1 2 . 1 1 87 87 GLY C C 87 175.275 175.275 175.009 0.266 17551 1192 1 2 . 1 1 87 87 GLY CA C 87 46.902 46.902 45.110 1.792 17551 1193 1 2 . 1 1 87 87 GLY H H 87 9.300 9.300 9.240 0.060 17551 1194 1 2 . 1 1 88 88 GLY N N 88 109.070 109.070 105.110 3.960 17551 1195 1 2 . 1 1 88 88 GLY C C 88 172.863 172.863 173.491 -0.628 17551 1196 1 2 . 1 1 88 88 GLY CA C 88 44.853 44.853 45.019 -0.166 17551 1197 1 2 . 1 1 88 88 GLY H H 88 8.739 8.739 8.604 0.135 17551 1198 1 2 . 1 1 89 89 LYS N N 89 120.150 120.150 119.004 1.146 17551 1199 1 2 . 1 1 89 89 LYS HA H 89 5.113 5.113 5.259 -0.146 17551 1200 1 2 . 1 1 89 89 LYS C C 89 175.487 175.487 175.702 -0.215 17551 1201 1 2 . 1 1 89 89 LYS CA C 89 54.363 54.363 54.423 -0.060 17551 1202 1 2 . 1 1 89 89 LYS CB C 89 33.753 33.753 35.050 -1.297 17551 1203 1 2 . 1 1 89 89 LYS H H 89 7.853 7.853 7.196 0.657 17551 1204 1 2 . 1 1 90 90 ILE N N 90 124.537 124.537 126.105 -1.568 17551 1205 1 2 . 1 1 90 90 ILE HA H 90 4.489 4.489 4.339 0.150 17551 1206 1 2 . 1 1 90 90 ILE C C 90 175.679 175.679 174.658 1.021 17551 1207 1 2 . 1 1 90 90 ILE CA C 90 60.930 60.930 61.309 -0.379 17551 1208 1 2 . 1 1 90 90 ILE CB C 90 38.367 38.367 37.515 0.852 17551 1209 1 2 . 1 1 90 90 ILE H H 90 9.081 9.081 8.324 0.757 17551 1210 1 2 . 1 1 91 91 VAL N N 91 124.871 124.871 128.497 -3.626 17551 1211 1 2 . 1 1 91 91 VAL HA H 91 4.591 4.591 5.224 -0.633 17551 1212 1 2 . 1 1 91 91 VAL C C 91 173.890 173.890 173.291 0.599 17551 1213 1 2 . 1 1 91 91 VAL CA C 91 60.743 60.743 58.732 2.011 17551 1214 1 2 . 1 1 91 91 VAL CB C 91 35.279 35.279 35.856 -0.577 17551 1215 1 2 . 1 1 91 91 VAL H H 91 8.786 8.786 8.756 0.030 17551 1216 1 2 . 1 1 92 92 ALA N N 92 129.590 129.590 130.950 -1.360 17551 1217 1 2 . 1 1 92 92 ALA HA H 92 4.563 4.563 4.608 -0.045 17551 1218 1 2 . 1 1 92 92 ALA C C 92 173.855 173.855 175.113 -1.258 17551 1219 1 2 . 1 1 92 92 ALA CA C 92 49.864 49.864 49.921 -0.057 17551 1220 1 2 . 1 1 92 92 ALA CB C 92 21.948 21.948 22.143 -0.195 17551 1221 1 2 . 1 1 92 92 ALA H H 92 9.228 9.228 9.030 0.198 17551 1222 1 2 . 1 1 93 93 ASP N N 93 121.654 121.654 122.494 -0.840 17551 1223 1 2 . 1 1 93 93 ASP HA H 93 5.342 5.342 4.737 0.605 17551 1224 1 2 . 1 1 93 93 ASP C C 93 173.521 173.521 174.646 -1.125 17551 1225 1 2 . 1 1 93 93 ASP CA C 93 53.658 53.658 54.075 -0.417 17551 1226 1 2 . 1 1 93 93 ASP CB C 93 44.462 44.462 41.976 2.486 17551 1227 1 2 . 1 1 93 93 ASP H H 93 8.326 8.326 7.719 0.607 17551 1228 1 2 . 1 1 94 94 PHE N N 94 122.296 122.296 123.488 -1.192 17551 1229 1 2 . 1 1 94 94 PHE HA H 94 5.024 5.024 4.823 0.201 17551 1230 1 2 . 1 1 94 94 PHE CA C 94 53.952 53.952 55.452 -1.500 17551 1231 1 2 . 1 1 94 94 PHE CB C 94 38.958 38.958 42.560 -3.602 17551 1232 1 2 . 1 1 94 94 PHE H H 94 8.776 8.776 7.858 0.918 17551 1233 1 2 . 1 1 95 95 PRO HA H 95 4.396 4.396 4.526 -0.130 17551 1234 1 2 . 1 1 95 95 PRO C C 95 177.375 177.375 176.594 0.781 17551 1235 1 2 . 1 1 95 95 PRO CA C 95 64.386 64.386 63.799 0.587 17551 1236 1 2 . 1 1 95 95 PRO CB C 95 30.432 30.432 31.245 -0.814 17551 1237 1 2 . 1 1 96 96 ASN N N 96 120.924 120.924 116.995 3.929 17551 1238 1 2 . 1 1 96 96 ASN HA H 96 4.619 4.619 4.448 0.171 17551 1239 1 2 . 1 1 96 96 ASN C C 96 174.189 174.189 173.429 0.760 17551 1240 1 2 . 1 1 96 96 ASN CA C 96 53.442 53.442 54.641 -1.199 17551 1241 1 2 . 1 1 96 96 ASN CB C 96 38.069 38.069 37.436 0.633 17551 1242 1 2 . 1 1 96 96 ASN H H 96 9.183 9.183 8.954 0.229 17551 1243 1 2 . 1 1 97 97 TYR N N 97 120.943 120.943 119.399 1.544 17551 1244 1 2 . 1 1 97 97 TYR HA H 97 4.804 4.804 5.812 -1.008 17551 1245 1 2 . 1 1 97 97 TYR C C 97 172.713 172.713 173.624 -0.911 17551 1246 1 2 . 1 1 97 97 TYR CA C 97 59.314 59.314 56.817 2.497 17551 1247 1 2 . 1 1 97 97 TYR CB C 97 40.512 40.512 41.673 -1.161 17551 1248 1 2 . 1 1 97 97 TYR H H 97 8.066 8.066 7.449 0.617 17551 1249 1 2 . 1 1 98 98 HIS N N 98 128.370 128.370 128.503 -0.133 17551 1250 1 2 . 1 1 98 98 HIS HA H 98 5.466 5.466 5.164 0.302 17551 1251 1 2 . 1 1 98 98 HIS C C 98 172.821 172.821 173.553 -0.732 17551 1252 1 2 . 1 1 98 98 HIS CA C 98 54.311 54.311 54.643 -0.332 17551 1253 1 2 . 1 1 98 98 HIS CB C 98 31.053 31.053 31.685 -0.632 17551 1254 1 2 . 1 1 98 98 HIS H H 98 8.786 8.786 8.858 -0.072 17551 1255 1 2 . 1 1 99 99 HIS N N 99 130.146 130.146 130.540 -0.394 17551 1256 1 2 . 1 1 99 99 HIS HA H 99 5.689 5.689 5.521 0.168 17551 1257 1 2 . 1 1 99 99 HIS C C 99 173.405 173.405 174.161 -0.756 17551 1258 1 2 . 1 1 99 99 HIS CA C 99 55.101 55.101 54.819 0.282 17551 1259 1 2 . 1 1 99 99 HIS CB C 99 34.888 34.888 31.618 3.270 17551 1260 1 2 . 1 1 99 99 HIS H H 99 8.963 8.963 8.320 0.643 17551 1261 1 2 . 1 1 100 100 THR N N 100 117.843 117.843 118.940 -1.097 17551 1262 1 2 . 1 1 100 100 THR HA H 100 5.597 5.597 5.670 -0.073 17551 1263 1 2 . 1 1 100 100 THR C C 100 172.563 172.563 172.393 0.170 17551 1264 1 2 . 1 1 100 100 THR CA C 100 57.863 57.863 59.634 -1.771 17551 1265 1 2 . 1 1 100 100 THR CB C 100 71.830 71.830 72.537 -0.707 17551 1266 1 2 . 1 1 100 100 THR H H 100 8.871 8.871 8.752 0.119 17551 1267 1 2 . 1 1 101 101 ALA N N 101 121.591 121.591 124.062 -2.471 17551 1268 1 2 . 1 1 101 101 ALA HA H 101 5.318 5.318 5.261 0.057 17551 1269 1 2 . 1 1 101 101 ALA C C 101 175.540 175.540 175.289 0.251 17551 1270 1 2 . 1 1 101 101 ALA CA C 101 50.320 50.320 50.646 -0.326 17551 1271 1 2 . 1 1 101 101 ALA CB C 101 22.819 22.819 22.160 0.659 17551 1272 1 2 . 1 1 101 101 ALA H H 101 8.825 8.825 8.589 0.236 17551 1273 1 2 . 1 1 102 102 GLU N N 102 118.491 118.491 120.602 -2.111 17551 1274 1 2 . 1 1 102 102 GLU HA H 102 5.194 5.194 5.089 0.105 17551 1275 1 2 . 1 1 102 102 GLU C C 102 172.497 172.497 174.177 -1.680 17551 1276 1 2 . 1 1 102 102 GLU CA C 102 53.879 53.879 54.805 -0.926 17551 1277 1 2 . 1 1 102 102 GLU H H 102 8.785 8.785 8.409 0.376 17551 1278 1 2 . 1 1 103 103 ILE N N 103 121.813 121.813 120.132 1.681 17551 1279 1 2 . 1 1 103 103 ILE HA H 103 5.129 5.129 5.116 0.013 17551 1280 1 2 . 1 1 103 103 ILE C C 103 177.119 177.119 175.743 1.376 17551 1281 1 2 . 1 1 103 103 ILE CA C 103 56.631 56.631 59.338 -2.707 17551 1282 1 2 . 1 1 103 103 ILE CB C 103 34.564 34.564 37.946 -3.382 17551 1283 1 2 . 1 1 103 103 ILE H H 103 8.442 8.442 8.612 -0.170 17551 1284 1 2 . 1 1 104 104 SER N N 104 122.295 122.295 123.921 -1.626 17551 1285 1 2 . 1 1 104 104 SER HA H 104 4.783 4.783 4.658 0.125 17551 1286 1 2 . 1 1 104 104 SER CA C 104 55.521 55.521 57.599 -2.078 17551 1287 1 2 . 1 1 104 104 SER CB C 104 63.426 63.426 63.999 -0.573 17551 1288 1 2 . 1 1 104 104 SER H H 104 9.119 9.119 9.058 0.061 17551 1289 1 2 . 1 1 105 105 GLY C C 105 175.730 175.730 174.198 1.532 17551 1290 1 2 . 1 1 105 105 GLY CA C 105 46.925 46.925 44.871 2.054 17551 1291 1 2 . 1 1 106 106 GLY N N 106 105.123 105.123 107.449 -2.326 17551 1292 1 2 . 1 1 106 106 GLY C C 106 173.229 173.229 173.579 -0.350 17551 1293 1 2 . 1 1 106 106 GLY CA C 106 44.771 44.771 45.351 -0.580 17551 1294 1 2 . 1 1 106 106 GLY H H 106 8.476 8.476 8.144 0.332 17551 1295 1 2 . 1 1 107 107 LYS N N 107 119.187 119.187 117.932 1.255 17551 1296 1 2 . 1 1 107 107 LYS HA H 107 4.856 4.856 4.676 0.180 17551 1297 1 2 . 1 1 107 107 LYS C C 107 174.072 174.072 174.353 -0.281 17551 1298 1 2 . 1 1 107 107 LYS CA C 107 54.240 54.240 54.718 -0.478 17551 1299 1 2 . 1 1 107 107 LYS CB C 107 34.508 34.508 35.882 -1.374 17551 1300 1 2 . 1 1 107 107 LYS H H 107 7.639 7.639 7.436 0.203 17551 1301 1 2 . 1 1 108 108 LEU N N 108 122.725 122.725 125.641 -2.916 17551 1302 1 2 . 1 1 108 108 LEU HA H 108 4.793 4.793 5.137 -0.344 17551 1303 1 2 . 1 1 108 108 LEU C C 108 174.906 174.906 174.466 0.440 17551 1304 1 2 . 1 1 108 108 LEU CA C 108 54.275 54.275 54.029 0.246 17551 1305 1 2 . 1 1 108 108 LEU CB C 108 42.801 42.801 42.909 -0.108 17551 1306 1 2 . 1 1 108 108 LEU H H 108 8.481 8.481 8.701 -0.220 17551 1307 1 2 . 1 1 109 109 VAL N N 109 130.844 130.844 127.829 3.015 17551 1308 1 2 . 1 1 109 109 VAL HA H 109 4.953 4.953 5.104 -0.151 17551 1309 1 2 . 1 1 109 109 VAL C C 109 176.004 176.004 173.953 2.051 17551 1310 1 2 . 1 1 109 109 VAL CA C 109 61.541 61.541 59.436 2.105 17551 1311 1 2 . 1 1 109 109 VAL CB C 109 32.721 32.721 33.975 -1.254 17551 1312 1 2 . 1 1 109 109 VAL H H 109 9.391 9.391 8.947 0.444 17551 1313 1 2 . 1 1 110 110 GLU N N 110 130.618 130.618 130.250 0.368 17551 1314 1 2 . 1 1 110 110 GLU HA H 110 5.393 5.393 5.007 0.386 17551 1315 1 2 . 1 1 110 110 GLU C C 110 175.537 175.537 174.805 0.732 17551 1316 1 2 . 1 1 110 110 GLU CA C 110 53.476 53.476 54.855 -1.379 17551 1317 1 2 . 1 1 110 110 GLU H H 110 9.386 9.386 8.876 0.510 17551 1318 1 2 . 1 1 111 111 ILE N N 111 126.952 126.952 127.113 -0.161 17551 1319 1 2 . 1 1 111 111 ILE HA H 111 4.910 4.910 4.752 0.158 17551 1320 1 2 . 1 1 111 111 ILE C C 111 175.156 175.156 174.406 0.750 17551 1321 1 2 . 1 1 111 111 ILE CA C 111 59.562 59.562 60.012 -0.450 17551 1322 1 2 . 1 1 111 111 ILE CB C 111 39.029 39.029 40.814 -1.785 17551 1323 1 2 . 1 1 111 111 ILE H H 111 8.912 8.912 8.970 -0.058 17551 1324 1 2 . 1 1 112 112 SER N N 112 125.389 125.389 124.508 0.881 17551 1325 1 2 . 1 1 112 112 SER HA H 112 5.524 5.524 5.189 0.335 17551 1326 1 2 . 1 1 112 112 SER C C 112 172.120 172.120 173.551 -1.431 17551 1327 1 2 . 1 1 112 112 SER CA C 112 55.756 55.756 56.249 -0.493 17551 1328 1 2 . 1 1 112 112 SER CB C 112 64.025 64.025 64.543 -0.518 17551 1329 1 2 . 1 1 112 112 SER H H 112 9.495 9.495 9.119 0.376 17551 1330 1 2 . 1 1 113 113 THR N N 113 119.329 119.329 123.862 -4.533 17551 1331 1 2 . 1 1 113 113 THR HA H 113 5.633 5.633 5.327 0.306 17551 1332 1 2 . 1 1 113 113 THR C C 113 174.911 174.911 173.851 1.060 17551 1333 1 2 . 1 1 113 113 THR CA C 113 60.362 60.362 61.496 -1.134 17551 1334 1 2 . 1 1 113 113 THR CB C 113 70.377 70.377 70.151 0.226 17551 1335 1 2 . 1 1 113 113 THR H H 113 9.274 9.274 8.854 0.420 17551 1336 1 2 . 1 1 114 114 SER N N 114 121.027 121.027 120.781 0.246 17551 1337 1 2 . 1 1 114 114 SER HA H 114 4.479 4.479 5.575 -1.096 17551 1338 1 2 . 1 1 114 114 SER C C 114 174.507 174.507 174.304 0.203 17551 1339 1 2 . 1 1 114 114 SER CA C 114 57.423 57.423 56.892 0.531 17551 1340 1 2 . 1 1 114 114 SER CB C 114 64.798 64.798 64.311 0.487 17551 1341 1 2 . 1 1 114 114 SER H H 114 8.657 8.657 8.853 -0.196 17551 1342 1 2 . 1 1 115 115 SER N N 115 122.405 122.405 123.840 -1.435 17551 1343 1 2 . 1 1 115 115 SER HA H 115 4.092 4.092 4.094 -0.002 17551 1344 1 2 . 1 1 115 115 SER C C 115 174.387 174.387 174.060 0.327 17551 1345 1 2 . 1 1 115 115 SER CA C 115 58.417 58.417 59.657 -1.240 17551 1346 1 2 . 1 1 115 115 SER CB C 115 61.860 61.860 62.270 -0.410 17551 1347 1 2 . 1 1 115 115 SER H H 115 9.265 9.265 8.986 0.279 17551 1348 1 2 . 1 1 116 116 GLY N N 116 103.741 103.741 104.630 -0.889 17551 1349 1 2 . 1 1 116 116 GLY C C 116 173.618 173.618 174.243 -0.625 17551 1350 1 2 . 1 1 116 116 GLY CA C 116 44.584 44.584 44.672 -0.088 17551 1351 1 2 . 1 1 116 116 GLY H H 116 8.730 8.730 8.335 0.395 17551 1352 1 2 . 1 1 117 117 VAL N N 117 123.819 123.819 124.162 -0.343 17551 1353 1 2 . 1 1 117 117 VAL HA H 117 4.242 4.242 3.997 0.245 17551 1354 1 2 . 1 1 117 117 VAL C C 117 173.712 173.712 175.361 -1.649 17551 1355 1 2 . 1 1 117 117 VAL CA C 117 61.946 61.946 63.013 -1.067 17551 1356 1 2 . 1 1 117 117 VAL CB C 117 32.244 32.244 32.341 -0.097 17551 1357 1 2 . 1 1 117 117 VAL H H 117 8.177 8.177 7.739 0.438 17551 1358 1 2 . 1 1 118 118 VAL N N 118 127.074 127.074 127.342 -0.268 17551 1359 1 2 . 1 1 118 118 VAL HA H 118 4.519 4.519 4.350 0.169 17551 1360 1 2 . 1 1 118 118 VAL C C 118 174.793 174.793 175.132 -0.339 17551 1361 1 2 . 1 1 118 118 VAL CA C 118 61.227 61.227 61.212 0.015 17551 1362 1 2 . 1 1 118 118 VAL CB C 118 32.503 32.503 31.599 0.904 17551 1363 1 2 . 1 1 118 118 VAL H H 118 8.441 8.441 8.383 0.058 17551 1364 1 2 . 1 1 119 119 TYR N N 119 131.178 131.178 130.612 0.566 17551 1365 1 2 . 1 1 119 119 TYR HA H 119 5.095 5.095 4.850 0.245 17551 1366 1 2 . 1 1 119 119 TYR C C 119 173.029 173.029 173.324 -0.295 17551 1367 1 2 . 1 1 119 119 TYR CA C 119 54.862 54.862 55.813 -0.951 17551 1368 1 2 . 1 1 119 119 TYR CB C 119 40.213 40.213 40.684 -0.471 17551 1369 1 2 . 1 1 119 119 TYR H H 119 9.315 9.315 9.221 0.094 17551 1370 1 2 . 1 1 120 120 LYS N N 120 126.654 126.654 127.731 -1.077 17551 1371 1 2 . 1 1 120 120 LYS HA H 120 4.922 4.922 5.253 -0.331 17551 1372 1 2 . 1 1 120 120 LYS C C 120 173.813 173.813 174.771 -0.958 17551 1373 1 2 . 1 1 120 120 LYS CA C 120 53.685 53.685 54.072 -0.387 17551 1374 1 2 . 1 1 120 120 LYS CB C 120 36.014 36.014 36.269 -0.255 17551 1375 1 2 . 1 1 120 120 LYS H H 120 7.342 7.342 8.455 -1.113 17551 1376 1 2 . 1 1 121 121 ARG N N 121 124.124 124.124 120.706 3.418 17551 1377 1 2 . 1 1 121 121 ARG HA H 121 4.798 4.798 4.976 -0.178 17551 1378 1 2 . 1 1 121 121 ARG C C 121 174.874 174.874 174.844 0.030 17551 1379 1 2 . 1 1 121 121 ARG CB C 121 34.257 34.257 33.374 0.883 17551 1380 1 2 . 1 1 121 121 ARG H H 121 9.087 9.087 8.915 0.172 17551 1381 1 2 . 1 1 122 122 THR N N 122 122.859 122.859 121.443 1.416 17551 1382 1 2 . 1 1 122 122 THR HA H 122 5.224 5.224 5.179 0.045 17551 1383 1 2 . 1 1 122 122 THR C C 122 174.321 174.321 174.030 0.291 17551 1384 1 2 . 1 1 122 122 THR CA C 122 62.177 62.177 61.831 0.346 17551 1385 1 2 . 1 1 122 122 THR CB C 122 69.459 69.459 70.036 -0.577 17551 1386 1 2 . 1 1 122 122 THR H H 122 9.358 9.358 8.930 0.428 17551 1387 1 2 . 1 1 123 123 SER N N 123 123.389 123.389 122.846 0.543 17551 1388 1 2 . 1 1 123 123 SER HA H 123 5.196 5.196 5.503 -0.307 17551 1389 1 2 . 1 1 123 123 SER C C 123 172.464 172.464 173.741 -1.277 17551 1390 1 2 . 1 1 123 123 SER CA C 123 57.571 57.571 57.131 0.440 17551 1391 1 2 . 1 1 123 123 SER CB C 123 65.697 65.697 65.798 -0.101 17551 1392 1 2 . 1 1 123 123 SER H H 123 9.749 9.749 9.404 0.345 17551 1393 1 2 . 1 1 124 124 LYS N N 124 125.058 125.058 124.142 0.916 17551 1394 1 2 . 1 1 124 124 LYS HA H 124 4.681 4.681 4.408 0.273 17551 1395 1 2 . 1 1 124 124 LYS C C 124 175.141 175.141 175.727 -0.586 17551 1396 1 2 . 1 1 124 124 LYS CA C 124 54.444 54.444 56.032 -1.588 17551 1397 1 2 . 1 1 124 124 LYS CB C 124 33.492 33.492 33.557 -0.065 17551 1398 1 2 . 1 1 124 124 LYS H H 124 8.808 8.808 8.050 0.758 17551 1399 1 2 . 1 1 125 125 LYS N N 125 126.114 126.114 123.146 2.968 17551 1400 1 2 . 1 1 125 125 LYS HA H 125 4.367 4.367 4.865 -0.498 17551 1401 1 2 . 1 1 125 125 LYS C C 125 176.828 176.828 175.504 1.324 17551 1402 1 2 . 1 1 125 125 LYS CA C 125 56.752 56.752 55.121 1.631 17551 1403 1 2 . 1 1 125 125 LYS CB C 125 32.912 32.912 32.858 0.054 17551 1404 1 2 . 1 1 125 125 LYS H H 125 9.215 9.215 8.547 0.668 17551 1405 1 2 . 1 1 126 126 ILE N N 126 125.207 125.207 124.415 0.792 17551 1406 1 2 . 1 1 126 126 ILE HA H 126 4.302 4.302 4.540 -0.238 17551 1407 1 2 . 1 1 126 126 ILE C C 126 175.240 175.240 173.642 1.598 17551 1408 1 2 . 1 1 126 126 ILE CA C 126 60.067 60.067 59.684 0.383 17551 1409 1 2 . 1 1 126 126 ILE CB C 126 38.611 38.611 41.911 -3.300 17551 1410 1 2 . 1 1 126 126 ILE H H 126 8.777 8.777 8.718 0.059 17551 1411 1 3 . 1 1 2 2 PHE N N 2 114.421 114.421 119.197 -4.776 17551 1412 1 3 . 1 1 2 2 PHE HA H 2 4.205 4.205 4.492 -0.287 17551 1413 1 3 . 1 1 2 2 PHE C C 2 177.675 177.675 175.715 1.960 17551 1414 1 3 . 1 1 2 2 PHE CA C 2 59.748 59.748 59.921 -0.173 17551 1415 1 3 . 1 1 2 2 PHE CB C 2 41.014 41.014 38.925 2.089 17551 1416 1 3 . 1 1 2 2 PHE H H 2 9.501 9.501 8.641 0.860 17551 1417 1 3 . 1 1 3 3 THR N N 3 118.304 118.304 113.814 4.490 17551 1418 1 3 . 1 1 3 3 THR HA H 3 4.021 4.021 4.451 -0.430 17551 1419 1 3 . 1 1 3 3 THR C C 3 173.811 173.811 174.569 -0.758 17551 1420 1 3 . 1 1 3 3 THR CA C 3 63.646 63.646 63.807 -0.161 17551 1421 1 3 . 1 1 3 3 THR CB C 3 69.230 69.230 69.032 0.198 17551 1422 1 3 . 1 1 3 3 THR H H 3 7.721 7.721 7.875 -0.154 17551 1423 1 3 . 1 1 4 4 GLY N N 4 113.320 113.320 111.718 1.602 17551 1424 1 3 . 1 1 4 4 GLY C C 4 169.382 169.382 172.161 -2.779 17551 1425 1 3 . 1 1 4 4 GLY CA C 4 44.343 44.343 44.562 -0.219 17551 1426 1 3 . 1 1 4 4 GLY H H 4 8.881 8.881 8.670 0.211 17551 1427 1 3 . 1 1 5 5 LYS N N 5 120.330 120.330 120.211 0.119 17551 1428 1 3 . 1 1 5 5 LYS HA H 5 5.255 5.255 5.321 -0.066 17551 1429 1 3 . 1 1 5 5 LYS C C 5 174.306 174.306 174.901 -0.595 17551 1430 1 3 . 1 1 5 5 LYS CA C 5 54.232 54.232 54.509 -0.277 17551 1431 1 3 . 1 1 5 5 LYS CB C 5 35.137 35.137 35.374 -0.237 17551 1432 1 3 . 1 1 5 5 LYS H H 5 7.914 7.914 7.974 -0.060 17551 1433 1 3 . 1 1 6 6 TYR N N 6 122.260 122.260 122.464 -0.204 17551 1434 1 3 . 1 1 6 6 TYR HA H 6 5.617 5.617 5.699 -0.082 17551 1435 1 3 . 1 1 6 6 TYR C C 6 174.519 174.519 175.294 -0.775 17551 1436 1 3 . 1 1 6 6 TYR CA C 6 55.158 55.158 56.443 -1.284 17551 1437 1 3 . 1 1 6 6 TYR CB C 6 41.637 41.637 42.881 -1.244 17551 1438 1 3 . 1 1 6 6 TYR H H 6 9.736 9.736 9.098 0.638 17551 1439 1 3 . 1 1 7 7 GLU N N 7 122.025 122.025 121.445 0.580 17551 1440 1 3 . 1 1 7 7 GLU HA H 7 5.096 5.096 5.244 -0.148 17551 1441 1 3 . 1 1 7 7 GLU C C 7 174.888 174.888 175.681 -0.793 17551 1442 1 3 . 1 1 7 7 GLU CA C 7 53.988 53.988 53.923 0.065 17551 1443 1 3 . 1 1 7 7 GLU CB C 7 33.716 33.716 34.226 -0.510 17551 1444 1 3 . 1 1 7 7 GLU H H 7 9.461 9.461 9.024 0.437 17551 1445 1 3 . 1 1 8 8 PHE N N 8 126.529 126.529 125.588 0.941 17551 1446 1 3 . 1 1 8 8 PHE HA H 8 4.599 4.599 4.241 0.358 17551 1447 1 3 . 1 1 8 8 PHE C C 8 172.999 172.999 174.866 -1.867 17551 1448 1 3 . 1 1 8 8 PHE CA C 8 59.847 59.847 60.730 -0.883 17551 1449 1 3 . 1 1 8 8 PHE CB C 8 40.687 40.687 39.033 1.654 17551 1450 1 3 . 1 1 8 8 PHE H H 8 7.986 7.986 8.599 -0.613 17551 1451 1 3 . 1 1 9 9 GLU N N 9 129.046 129.046 126.143 2.903 17551 1452 1 3 . 1 1 9 9 GLU HA H 9 4.306 4.306 4.609 -0.303 17551 1453 1 3 . 1 1 9 9 GLU C C 9 174.528 174.528 176.234 -1.706 17551 1454 1 3 . 1 1 9 9 GLU CA C 9 56.545 56.545 57.212 -0.666 17551 1455 1 3 . 1 1 9 9 GLU CB C 9 32.798 32.798 32.271 0.527 17551 1456 1 3 . 1 1 9 9 GLU H H 9 9.151 9.151 8.858 0.293 17551 1457 1 3 . 1 1 10 10 SER N N 10 111.041 111.041 113.439 -2.398 17551 1458 1 3 . 1 1 10 10 SER HA H 10 4.258 4.258 4.930 -0.672 17551 1459 1 3 . 1 1 10 10 SER C C 10 171.216 171.216 172.037 -0.821 17551 1460 1 3 . 1 1 10 10 SER CA C 10 57.930 57.930 57.534 0.396 17551 1461 1 3 . 1 1 10 10 SER CB C 10 64.720 64.720 66.408 -1.688 17551 1462 1 3 . 1 1 10 10 SER H H 10 7.612 7.612 7.789 -0.177 17551 1463 1 3 . 1 1 11 11 ASP N N 11 118.058 118.058 118.616 -0.558 17551 1464 1 3 . 1 1 11 11 ASP HA H 11 5.500 5.500 5.365 0.135 17551 1465 1 3 . 1 1 11 11 ASP C C 11 174.845 174.845 174.822 0.023 17551 1466 1 3 . 1 1 11 11 ASP CA C 11 51.633 51.633 53.128 -1.495 17551 1467 1 3 . 1 1 11 11 ASP H H 11 8.632 8.632 8.402 0.230 17551 1468 1 3 . 1 1 12 12 GLU N N 12 117.523 117.523 120.157 -2.634 17551 1469 1 3 . 1 1 12 12 GLU HA H 12 4.782 4.782 4.648 0.134 17551 1470 1 3 . 1 1 12 12 GLU C C 12 175.293 175.293 176.202 -0.909 17551 1471 1 3 . 1 1 12 12 GLU CB C 12 33.450 33.450 32.948 0.502 17551 1472 1 3 . 1 1 12 12 GLU H H 12 8.562 8.562 8.769 -0.207 17551 1473 1 3 . 1 1 13 13 ASN N N 13 118.877 118.877 121.325 -2.448 17551 1474 1 3 . 1 1 13 13 ASN HA H 13 4.742 4.742 4.510 0.232 17551 1475 1 3 . 1 1 13 13 ASN C C 13 175.303 175.303 175.325 -0.022 17551 1476 1 3 . 1 1 13 13 ASN CA C 13 53.373 53.373 54.395 -1.022 17551 1477 1 3 . 1 1 13 13 ASN CB C 13 37.207 37.207 37.270 -0.063 17551 1478 1 3 . 1 1 13 13 ASN H H 13 9.110 9.110 9.183 -0.073 17551 1479 1 3 . 1 1 14 14 TYR N N 14 118.061 118.061 120.874 -2.813 17551 1480 1 3 . 1 1 14 14 TYR HA H 14 4.015 4.015 4.317 -0.302 17551 1481 1 3 . 1 1 14 14 TYR C C 14 176.581 176.581 176.590 -0.009 17551 1482 1 3 . 1 1 14 14 TYR CA C 14 62.797 62.797 63.484 -0.687 17551 1483 1 3 . 1 1 14 14 TYR CB C 14 38.998 38.998 38.681 0.317 17551 1484 1 3 . 1 1 14 14 TYR H H 14 8.731 8.731 7.845 0.886 17551 1485 1 3 . 1 1 15 15 ASP N N 15 115.317 115.317 117.593 -2.276 17551 1486 1 3 . 1 1 15 15 ASP HA H 15 4.112 4.112 4.358 -0.246 17551 1487 1 3 . 1 1 15 15 ASP C C 15 178.333 178.333 178.254 0.079 17551 1488 1 3 . 1 1 15 15 ASP CA C 15 57.819 57.819 59.011 -1.192 17551 1489 1 3 . 1 1 15 15 ASP CB C 15 40.410 40.410 40.021 0.389 17551 1490 1 3 . 1 1 15 15 ASP H H 15 8.316 8.316 9.105 -0.789 17551 1491 1 3 . 1 1 16 16 ASP N N 16 117.774 117.774 119.888 -2.114 17551 1492 1 3 . 1 1 16 16 ASP HA H 16 4.392 4.392 4.412 -0.020 17551 1493 1 3 . 1 1 16 16 ASP C C 16 178.597 178.597 178.179 0.418 17551 1494 1 3 . 1 1 16 16 ASP CA C 16 56.348 56.348 56.964 -0.616 17551 1495 1 3 . 1 1 16 16 ASP CB C 16 39.883 39.883 40.954 -1.071 17551 1496 1 3 . 1 1 16 16 ASP H H 16 8.449 8.449 8.160 0.289 17551 1497 1 3 . 1 1 17 17 PHE N N 17 120.363 120.363 120.995 -0.632 17551 1498 1 3 . 1 1 17 17 PHE HA H 17 4.068 4.068 4.064 0.004 17551 1499 1 3 . 1 1 17 17 PHE C C 17 176.755 176.755 177.235 -0.480 17551 1500 1 3 . 1 1 17 17 PHE CA C 17 61.840 61.840 61.249 0.591 17551 1501 1 3 . 1 1 17 17 PHE CB C 17 39.794 39.794 39.165 0.629 17551 1502 1 3 . 1 1 17 17 PHE H H 17 7.931 7.931 8.271 -0.340 17551 1503 1 3 . 1 1 18 18 VAL N N 18 110.180 110.180 116.189 -6.009 17551 1504 1 3 . 1 1 18 18 VAL HA H 18 3.595 3.595 3.263 0.332 17551 1505 1 3 . 1 1 18 18 VAL C C 18 178.434 178.434 177.722 0.712 17551 1506 1 3 . 1 1 18 18 VAL CA C 18 64.697 64.697 66.632 -1.935 17551 1507 1 3 . 1 1 18 18 VAL CB C 18 29.602 29.602 31.240 -1.638 17551 1508 1 3 . 1 1 18 18 VAL H H 18 8.294 8.294 8.648 -0.354 17551 1509 1 3 . 1 1 19 19 LYS N N 19 119.749 119.749 118.122 1.627 17551 1510 1 3 . 1 1 19 19 LYS HA H 19 4.108 4.108 4.090 0.018 17551 1511 1 3 . 1 1 19 19 LYS C C 19 179.796 179.796 178.875 0.921 17551 1512 1 3 . 1 1 19 19 LYS CA C 19 58.320 58.320 58.560 -0.240 17551 1513 1 3 . 1 1 19 19 LYS CB C 19 31.918 31.918 32.055 -0.137 17551 1514 1 3 . 1 1 19 19 LYS H H 19 7.382 7.382 8.212 -0.830 17551 1515 1 3 . 1 1 20 20 LYS N N 20 121.187 121.187 119.945 1.242 17551 1516 1 3 . 1 1 20 20 LYS HA H 20 4.071 4.071 4.148 -0.077 17551 1517 1 3 . 1 1 20 20 LYS C C 20 179.071 179.071 178.603 0.468 17551 1518 1 3 . 1 1 20 20 LYS CA C 20 57.347 57.347 58.211 -0.864 17551 1519 1 3 . 1 1 20 20 LYS CB C 20 30.633 30.633 32.525 -1.892 17551 1520 1 3 . 1 1 20 20 LYS H H 20 7.718 7.718 7.419 0.299 17551 1521 1 3 . 1 1 21 21 ILE N N 21 109.363 109.363 112.401 -3.038 17551 1522 1 3 . 1 1 21 21 ILE HA H 21 4.212 4.212 3.975 0.237 17551 1523 1 3 . 1 1 21 21 ILE C C 21 176.366 176.366 176.366 0.000 17551 1524 1 3 . 1 1 21 21 ILE CA C 21 61.610 61.610 61.996 -0.386 17551 1525 1 3 . 1 1 21 21 ILE CB C 21 36.968 36.968 38.232 -1.264 17551 1526 1 3 . 1 1 21 21 ILE H H 21 7.591 7.591 7.795 -0.204 17551 1527 1 3 . 1 1 22 22 GLY N N 22 107.961 107.961 107.947 0.014 17551 1528 1 3 . 1 1 22 22 GLY C C 22 174.877 174.877 174.710 0.167 17551 1529 1 3 . 1 1 22 22 GLY CA C 22 45.510 45.510 44.538 0.972 17551 1530 1 3 . 1 1 22 22 GLY H H 22 7.260 7.260 7.417 -0.157 17551 1531 1 3 . 1 1 23 23 LEU N N 23 120.597 120.597 122.972 -2.375 17551 1532 1 3 . 1 1 23 23 LEU HA H 23 4.207 4.207 4.504 -0.297 17551 1533 1 3 . 1 1 23 23 LEU CA C 23 52.923 52.923 52.622 0.301 17551 1534 1 3 . 1 1 23 23 LEU CB C 23 42.241 42.241 42.375 -0.134 17551 1535 1 3 . 1 1 23 23 LEU H H 23 7.314 7.314 7.829 -0.515 17551 1536 1 3 . 1 1 24 24 PRO HA H 24 4.537 4.537 4.494 0.043 17551 1537 1 3 . 1 1 24 24 PRO C C 24 177.702 177.702 177.571 0.131 17551 1538 1 3 . 1 1 24 24 PRO CA C 24 61.891 61.891 62.505 -0.614 17551 1539 1 3 . 1 1 24 24 PRO CB C 24 32.260 32.260 32.672 -0.412 17551 1540 1 3 . 1 1 25 25 ALA N N 25 123.142 123.142 127.147 -4.005 17551 1541 1 3 . 1 1 25 25 ALA HA H 25 3.935 3.935 3.948 -0.013 17551 1542 1 3 . 1 1 25 25 ALA C C 25 179.461 179.461 179.436 0.025 17551 1543 1 3 . 1 1 25 25 ALA CA C 25 55.314 55.314 55.207 0.107 17551 1544 1 3 . 1 1 25 25 ALA CB C 25 18.220 18.220 18.469 -0.249 17551 1545 1 3 . 1 1 25 25 ALA H H 25 8.738 8.738 8.810 -0.072 17551 1546 1 3 . 1 1 26 26 ASP N N 26 115.440 115.440 117.997 -2.557 17551 1547 1 3 . 1 1 26 26 ASP HA H 26 4.379 4.379 4.381 -0.002 17551 1548 1 3 . 1 1 26 26 ASP C C 26 179.291 179.291 178.252 1.039 17551 1549 1 3 . 1 1 26 26 ASP CA C 26 56.015 56.015 57.142 -1.127 17551 1550 1 3 . 1 1 26 26 ASP CB C 26 38.136 38.136 40.101 -1.965 17551 1551 1 3 . 1 1 26 26 ASP H H 26 8.971 8.971 8.758 0.213 17551 1552 1 3 . 1 1 27 27 LYS N N 27 122.292 122.292 118.038 4.254 17551 1553 1 3 . 1 1 27 27 LYS HA H 27 4.160 4.160 4.376 -0.216 17551 1554 1 3 . 1 1 27 27 LYS C C 27 177.758 177.758 178.543 -0.785 17551 1555 1 3 . 1 1 27 27 LYS CA C 27 58.022 58.022 56.724 1.298 17551 1556 1 3 . 1 1 27 27 LYS CB C 27 31.334 31.334 32.583 -1.249 17551 1557 1 3 . 1 1 27 27 LYS H H 27 7.434 7.434 7.593 -0.159 17551 1558 1 3 . 1 1 28 28 ILE N N 28 119.737 119.737 122.230 -2.493 17551 1559 1 3 . 1 1 28 28 ILE HA H 28 3.586 3.586 3.810 -0.224 17551 1560 1 3 . 1 1 28 28 ILE C C 28 180.386 180.386 178.431 1.955 17551 1561 1 3 . 1 1 28 28 ILE CA C 28 65.027 65.027 65.997 -0.970 17551 1562 1 3 . 1 1 28 28 ILE CB C 28 37.002 37.002 38.023 -1.021 17551 1563 1 3 . 1 1 28 28 ILE H H 28 8.016 8.016 8.661 -0.645 17551 1564 1 3 . 1 1 29 29 GLU N N 29 117.216 117.216 117.840 -0.624 17551 1565 1 3 . 1 1 29 29 GLU HA H 29 4.294 4.294 4.161 0.133 17551 1566 1 3 . 1 1 29 29 GLU C C 29 179.024 179.024 179.228 -0.204 17551 1567 1 3 . 1 1 29 29 GLU CA C 29 58.139 58.139 58.986 -0.847 17551 1568 1 3 . 1 1 29 29 GLU CB C 29 28.028 28.028 29.162 -1.134 17551 1569 1 3 . 1 1 29 29 GLU H H 29 7.755 7.755 8.128 -0.373 17551 1570 1 3 . 1 1 30 30 MET N N 30 119.183 119.183 120.629 -1.446 17551 1571 1 3 . 1 1 30 30 MET HA H 30 4.194 4.194 4.476 -0.282 17551 1572 1 3 . 1 1 30 30 MET C C 30 177.683 177.683 177.067 0.616 17551 1573 1 3 . 1 1 30 30 MET CA C 30 58.150 58.150 57.046 1.104 17551 1574 1 3 . 1 1 30 30 MET CB C 30 33.162 33.162 33.182 -0.020 17551 1575 1 3 . 1 1 30 30 MET H H 30 7.659 7.659 7.659 -0.000 17551 1576 1 3 . 1 1 31 31 GLY N N 31 102.603 102.603 105.280 -2.677 17551 1577 1 3 . 1 1 31 31 GLY C C 31 172.264 172.264 173.418 -1.154 17551 1578 1 3 . 1 1 31 31 GLY CA C 31 45.433 45.433 44.592 0.841 17551 1579 1 3 . 1 1 31 31 GLY H H 31 7.839 7.839 8.526 -0.687 17551 1580 1 3 . 1 1 32 32 ARG N N 32 121.453 121.453 119.135 2.318 17551 1581 1 3 . 1 1 32 32 ARG HA H 32 3.072 3.072 4.164 -1.092 17551 1582 1 3 . 1 1 32 32 ARG C C 32 175.932 175.932 175.398 0.534 17551 1583 1 3 . 1 1 32 32 ARG CA C 32 56.894 56.894 54.933 1.961 17551 1584 1 3 . 1 1 32 32 ARG CB C 32 29.004 29.004 30.985 -1.980 17551 1585 1 3 . 1 1 32 32 ARG H H 32 6.954 6.954 7.724 -0.770 17551 1586 1 3 . 1 1 33 33 ASN N N 33 127.905 127.905 116.283 11.622 17551 1587 1 3 . 1 1 33 33 ASN HA H 33 4.066 4.066 3.996 0.070 17551 1588 1 3 . 1 1 33 33 ASN C C 33 173.939 173.939 173.809 0.130 17551 1589 1 3 . 1 1 33 33 ASN CA C 33 53.539 53.539 54.171 -0.632 17551 1590 1 3 . 1 1 33 33 ASN CB C 33 37.017 37.017 37.881 -0.864 17551 1591 1 3 . 1 1 33 33 ASN H H 33 8.990 8.990 8.362 0.628 17551 1592 1 3 . 1 1 34 34 CYS N N 34 116.649 116.649 118.111 -1.462 17551 1593 1 3 . 1 1 34 34 CYS HA H 34 4.018 4.018 4.303 -0.285 17551 1594 1 3 . 1 1 34 34 CYS C C 34 175.384 175.384 174.788 0.596 17551 1595 1 3 . 1 1 34 34 CYS CA C 34 57.216 57.216 58.546 -1.330 17551 1596 1 3 . 1 1 34 34 CYS CB C 34 27.200 27.200 29.798 -2.598 17551 1597 1 3 . 1 1 34 34 CYS H H 34 7.443 7.443 7.596 -0.153 17551 1598 1 3 . 1 1 35 35 LYS N N 35 130.727 130.727 125.763 4.964 17551 1599 1 3 . 1 1 35 35 LYS HA H 35 4.296 4.296 4.287 0.009 17551 1600 1 3 . 1 1 35 35 LYS C C 35 175.272 175.272 175.007 0.265 17551 1601 1 3 . 1 1 35 35 LYS CA C 35 55.577 55.577 55.722 -0.145 17551 1602 1 3 . 1 1 35 35 LYS CB C 35 29.487 29.487 30.539 -1.052 17551 1603 1 3 . 1 1 35 35 LYS H H 35 8.691 8.691 8.483 0.208 17551 1604 1 3 . 1 1 36 36 ILE N N 36 125.658 125.658 124.493 1.165 17551 1605 1 3 . 1 1 36 36 ILE HA H 36 4.010 4.010 4.558 -0.548 17551 1606 1 3 . 1 1 36 36 ILE C C 36 177.115 177.115 176.063 1.052 17551 1607 1 3 . 1 1 36 36 ILE CA C 36 62.608 62.608 59.174 3.434 17551 1608 1 3 . 1 1 36 36 ILE CB C 36 39.739 39.739 37.874 1.865 17551 1609 1 3 . 1 1 36 36 ILE H H 36 7.658 7.658 8.230 -0.572 17551 1610 1 3 . 1 1 37 37 VAL N N 37 130.730 130.730 128.498 2.232 17551 1611 1 3 . 1 1 37 37 VAL HA H 37 5.105 5.105 4.976 0.129 17551 1612 1 3 . 1 1 37 37 VAL C C 37 175.295 175.295 176.133 -0.838 17551 1613 1 3 . 1 1 37 37 VAL CA C 37 60.845 60.845 61.138 -0.293 17551 1614 1 3 . 1 1 37 37 VAL CB C 37 33.716 33.716 32.908 0.808 17551 1615 1 3 . 1 1 37 37 VAL H H 37 7.909 7.909 8.281 -0.372 17551 1616 1 3 . 1 1 38 38 THR N N 38 127.066 127.066 125.223 1.843 17551 1617 1 3 . 1 1 38 38 THR HA H 38 5.405 5.405 5.342 0.063 17551 1618 1 3 . 1 1 38 38 THR C C 38 174.035 174.035 174.098 -0.063 17551 1619 1 3 . 1 1 38 38 THR CA C 38 61.303 61.303 61.429 -0.126 17551 1620 1 3 . 1 1 38 38 THR CB C 38 70.474 70.474 69.217 1.257 17551 1621 1 3 . 1 1 38 38 THR H H 38 9.393 9.393 9.348 0.045 17551 1622 1 3 . 1 1 39 39 GLU N N 39 126.804 126.804 128.950 -2.146 17551 1623 1 3 . 1 1 39 39 GLU HA H 39 5.216 5.216 4.726 0.490 17551 1624 1 3 . 1 1 39 39 GLU C C 39 174.379 174.379 174.973 -0.594 17551 1625 1 3 . 1 1 39 39 GLU CA C 39 54.232 54.232 55.799 -1.567 17551 1626 1 3 . 1 1 39 39 GLU CB C 39 32.531 32.531 30.901 1.630 17551 1627 1 3 . 1 1 39 39 GLU H H 39 9.728 9.728 8.509 1.219 17551 1628 1 3 . 1 1 40 40 VAL N N 40 125.405 125.405 126.746 -1.341 17551 1629 1 3 . 1 1 40 40 VAL HA H 40 4.859 4.859 5.249 -0.390 17551 1630 1 3 . 1 1 40 40 VAL C C 40 176.139 176.139 175.323 0.816 17551 1631 1 3 . 1 1 40 40 VAL CA C 40 60.091 60.091 59.940 0.151 17551 1632 1 3 . 1 1 40 40 VAL CB C 40 33.952 33.952 33.281 0.671 17551 1633 1 3 . 1 1 40 40 VAL H H 40 9.326 9.326 9.107 0.219 17551 1634 1 3 . 1 1 41 41 VAL N N 41 127.197 127.197 128.492 -1.295 17551 1635 1 3 . 1 1 41 41 VAL HA H 41 4.144 4.144 4.359 -0.215 17551 1636 1 3 . 1 1 41 41 VAL C C 41 173.604 173.604 174.294 -0.690 17551 1637 1 3 . 1 1 41 41 VAL CA C 41 62.522 62.522 60.750 1.772 17551 1638 1 3 . 1 1 41 41 VAL CB C 41 33.757 33.757 33.223 0.534 17551 1639 1 3 . 1 1 41 41 VAL H H 41 8.811 8.811 8.084 0.727 17551 1640 1 3 . 1 1 42 42 GLN N N 42 130.317 130.317 127.787 2.530 17551 1641 1 3 . 1 1 42 42 GLN HA H 42 4.430 4.430 4.101 0.329 17551 1642 1 3 . 1 1 42 42 GLN C C 42 174.239 174.239 174.717 -0.478 17551 1643 1 3 . 1 1 42 42 GLN CA C 42 52.960 52.960 56.188 -3.228 17551 1644 1 3 . 1 1 42 42 GLN CB C 42 29.877 29.877 29.222 0.655 17551 1645 1 3 . 1 1 42 42 GLN H H 42 8.345 8.345 8.752 -0.407 17551 1646 1 3 . 1 1 43 43 ASN N N 43 125.513 125.513 127.096 -1.583 17551 1647 1 3 . 1 1 43 43 ASN HA H 43 4.826 4.826 4.862 -0.036 17551 1648 1 3 . 1 1 43 43 ASN C C 43 175.350 175.350 174.959 0.391 17551 1649 1 3 . 1 1 43 43 ASN CA C 43 51.303 51.303 52.804 -1.502 17551 1650 1 3 . 1 1 43 43 ASN CB C 43 39.051 39.051 39.728 -0.677 17551 1651 1 3 . 1 1 43 43 ASN H H 43 8.772 8.772 7.881 0.891 17551 1652 1 3 . 1 1 44 44 GLY N N 44 115.694 115.694 115.259 0.435 17551 1653 1 3 . 1 1 44 44 GLY C C 44 173.199 173.199 174.104 -0.905 17551 1654 1 3 . 1 1 44 44 GLY CA C 44 46.964 46.964 46.467 0.497 17551 1655 1 3 . 1 1 44 44 GLY H H 44 9.187 9.187 9.144 0.043 17551 1656 1 3 . 1 1 45 45 ASN N N 45 125.520 125.520 123.107 2.413 17551 1657 1 3 . 1 1 45 45 ASN HA H 45 4.991 4.991 4.784 0.207 17551 1658 1 3 . 1 1 45 45 ASN C C 45 173.822 173.822 172.919 0.903 17551 1659 1 3 . 1 1 45 45 ASN CA C 45 52.215 52.215 52.394 -0.179 17551 1660 1 3 . 1 1 45 45 ASN CB C 45 38.700 38.700 40.651 -1.951 17551 1661 1 3 . 1 1 45 45 ASN H H 45 8.854 8.854 8.184 0.670 17551 1662 1 3 . 1 1 46 46 ASP N N 46 120.842 120.842 121.246 -0.404 17551 1663 1 3 . 1 1 46 46 ASP HA H 46 5.185 5.185 5.088 0.097 17551 1664 1 3 . 1 1 46 46 ASP C C 46 174.705 174.705 174.351 0.354 17551 1665 1 3 . 1 1 46 46 ASP CA C 46 53.658 53.658 53.149 0.509 17551 1666 1 3 . 1 1 46 46 ASP CB C 46 41.025 41.025 41.452 -0.427 17551 1667 1 3 . 1 1 46 46 ASP H H 46 7.921 7.921 7.449 0.472 17551 1668 1 3 . 1 1 47 47 PHE N N 47 121.470 121.470 126.180 -4.710 17551 1669 1 3 . 1 1 47 47 PHE HA H 47 5.161 5.161 5.124 0.037 17551 1670 1 3 . 1 1 47 47 PHE C C 47 177.125 177.125 175.602 1.523 17551 1671 1 3 . 1 1 47 47 PHE CA C 47 56.591 56.591 55.788 0.804 17551 1672 1 3 . 1 1 47 47 PHE CB C 47 44.035 44.035 41.654 2.381 17551 1673 1 3 . 1 1 47 47 PHE H H 47 9.263 9.263 8.487 0.776 17551 1674 1 3 . 1 1 48 48 THR N N 48 116.950 116.950 116.936 0.014 17551 1675 1 3 . 1 1 48 48 THR HA H 48 4.861 4.861 4.716 0.145 17551 1676 1 3 . 1 1 48 48 THR C C 48 172.499 172.499 173.861 -1.362 17551 1677 1 3 . 1 1 48 48 THR CA C 48 62.943 62.943 61.792 1.151 17551 1678 1 3 . 1 1 48 48 THR CB C 48 70.360 70.360 69.458 0.902 17551 1679 1 3 . 1 1 48 48 THR H H 48 8.831 8.831 8.349 0.482 17551 1680 1 3 . 1 1 49 49 TRP N N 49 132.266 132.266 128.713 3.553 17551 1681 1 3 . 1 1 49 49 TRP HA H 49 4.955 4.955 5.000 -0.045 17551 1682 1 3 . 1 1 49 49 TRP C C 49 175.842 175.842 174.919 0.923 17551 1683 1 3 . 1 1 49 49 TRP CA C 49 57.286 57.286 56.420 0.866 17551 1684 1 3 . 1 1 49 49 TRP CB C 49 31.894 31.894 31.174 0.720 17551 1685 1 3 . 1 1 49 49 TRP H H 49 9.914 9.914 9.583 0.331 17551 1686 1 3 . 1 1 50 50 THR N N 50 131.707 131.707 124.235 7.472 17551 1687 1 3 . 1 1 50 50 THR HA H 50 5.928 5.928 4.770 1.158 17551 1688 1 3 . 1 1 50 50 THR C C 50 173.408 173.408 173.256 0.152 17551 1689 1 3 . 1 1 50 50 THR CA C 50 60.993 60.993 61.766 -0.773 17551 1690 1 3 . 1 1 50 50 THR CB C 50 70.957 70.957 70.202 0.755 17551 1691 1 3 . 1 1 50 50 THR H H 50 9.524 9.524 8.271 1.253 17551 1692 1 3 . 1 1 51 51 GLN N N 51 124.680 124.680 125.805 -1.125 17551 1693 1 3 . 1 1 51 51 GLN HA H 51 5.056 5.056 5.082 -0.026 17551 1694 1 3 . 1 1 51 51 GLN C C 51 175.328 175.328 174.762 0.566 17551 1695 1 3 . 1 1 51 51 GLN CA C 51 56.309 56.309 54.118 2.191 17551 1696 1 3 . 1 1 51 51 GLN CB C 51 29.046 29.046 30.882 -1.836 17551 1697 1 3 . 1 1 51 51 GLN H H 51 9.456 9.456 9.160 0.296 17551 1698 1 3 . 1 1 52 52 HIS N N 52 122.268 122.268 124.484 -2.216 17551 1699 1 3 . 1 1 52 52 HIS HA H 52 5.051 5.051 4.894 0.157 17551 1700 1 3 . 1 1 52 52 HIS C C 52 174.819 174.819 174.075 0.744 17551 1701 1 3 . 1 1 52 52 HIS CA C 52 54.039 54.039 55.287 -1.248 17551 1702 1 3 . 1 1 52 52 HIS CB C 52 29.432 29.432 31.511 -2.079 17551 1703 1 3 . 1 1 52 52 HIS H H 52 9.534 9.534 8.841 0.693 17551 1704 1 3 . 1 1 53 53 PHE N N 53 129.837 129.837 126.060 3.777 17551 1705 1 3 . 1 1 53 53 PHE HA H 53 4.584 4.584 4.938 -0.354 17551 1706 1 3 . 1 1 53 53 PHE CA C 53 56.312 56.312 53.887 2.425 17551 1707 1 3 . 1 1 53 53 PHE CB C 53 40.660 40.660 41.582 -0.922 17551 1708 1 3 . 1 1 53 53 PHE H H 53 8.641 8.641 8.731 -0.090 17551 1709 1 3 . 1 1 54 54 PRO HA H 54 4.291 4.291 4.328 -0.037 17551 1710 1 3 . 1 1 54 54 PRO C C 54 177.389 177.389 176.633 0.756 17551 1711 1 3 . 1 1 54 54 PRO CA C 54 63.569 63.569 63.581 -0.012 17551 1712 1 3 . 1 1 54 54 PRO CB C 54 30.471 30.471 30.773 -0.302 17551 1713 1 3 . 1 1 55 55 GLY N N 55 113.867 113.867 113.159 0.708 17551 1714 1 3 . 1 1 55 55 GLY C C 55 175.164 175.164 174.137 1.027 17551 1715 1 3 . 1 1 55 55 GLY CA C 55 45.258 45.258 45.135 0.124 17551 1716 1 3 . 1 1 55 55 GLY H H 55 8.926 8.926 8.540 0.386 17551 1717 1 3 . 1 1 56 56 GLY N N 56 108.877 108.877 108.727 0.150 17551 1718 1 3 . 1 1 56 56 GLY C C 56 174.054 174.054 172.982 1.072 17551 1719 1 3 . 1 1 56 56 GLY CA C 56 44.534 44.534 44.878 -0.344 17551 1720 1 3 . 1 1 56 56 GLY H H 56 8.426 8.426 7.884 0.542 17551 1721 1 3 . 1 1 57 57 ARG N N 57 123.871 123.871 118.872 4.999 17551 1722 1 3 . 1 1 57 57 ARG HA H 57 4.483 4.483 4.500 -0.017 17551 1723 1 3 . 1 1 57 57 ARG C C 57 176.728 176.728 175.703 1.025 17551 1724 1 3 . 1 1 57 57 ARG CA C 57 56.217 56.217 56.511 -0.294 17551 1725 1 3 . 1 1 57 57 ARG CB C 57 31.388 31.388 30.712 0.676 17551 1726 1 3 . 1 1 57 57 ARG H H 57 8.474 8.474 8.416 0.058 17551 1727 1 3 . 1 1 58 58 THR N N 58 122.156 122.156 116.378 5.778 17551 1728 1 3 . 1 1 58 58 THR HA H 58 5.299 5.299 4.828 0.471 17551 1729 1 3 . 1 1 58 58 THR C C 58 174.092 174.092 174.565 -0.473 17551 1730 1 3 . 1 1 58 58 THR CA C 58 62.125 62.125 60.706 1.419 17551 1731 1 3 . 1 1 58 58 THR CB C 58 70.339 70.339 71.066 -0.727 17551 1732 1 3 . 1 1 58 58 THR H H 58 8.818 8.818 8.298 0.520 17551 1733 1 3 . 1 1 59 59 THR N N 59 127.287 127.287 123.586 3.701 17551 1734 1 3 . 1 1 59 59 THR HA H 59 4.505 4.505 4.636 -0.131 17551 1735 1 3 . 1 1 59 59 THR C C 59 172.626 172.626 172.771 -0.145 17551 1736 1 3 . 1 1 59 59 THR CA C 59 62.163 62.163 61.866 0.297 17551 1737 1 3 . 1 1 59 59 THR CB C 59 70.565 70.565 71.089 -0.524 17551 1738 1 3 . 1 1 59 59 THR H H 59 9.281 9.281 8.791 0.490 17551 1739 1 3 . 1 1 60 60 THR N N 60 123.658 123.658 123.065 0.593 17551 1740 1 3 . 1 1 60 60 THR HA H 60 5.105 5.105 5.097 0.008 17551 1741 1 3 . 1 1 60 60 THR C C 60 172.453 172.453 173.611 -1.158 17551 1742 1 3 . 1 1 60 60 THR CA C 60 61.277 61.277 61.554 -0.277 17551 1743 1 3 . 1 1 60 60 THR CB C 60 70.432 70.432 70.276 0.156 17551 1744 1 3 . 1 1 60 60 THR H H 60 8.952 8.952 8.573 0.379 17551 1745 1 3 . 1 1 61 61 ASN N N 61 124.292 124.292 126.904 -2.612 17551 1746 1 3 . 1 1 61 61 ASN HA H 61 5.384 5.384 5.108 0.276 17551 1747 1 3 . 1 1 61 61 ASN C C 61 173.609 173.609 173.905 -0.296 17551 1748 1 3 . 1 1 61 61 ASN CA C 61 52.190 52.190 52.747 -0.557 17551 1749 1 3 . 1 1 61 61 ASN CB C 61 43.987 43.987 42.494 1.493 17551 1750 1 3 . 1 1 61 61 ASN H H 61 8.848 8.848 9.167 -0.319 17551 1751 1 3 . 1 1 62 62 SER N N 62 118.046 118.046 117.678 0.368 17551 1752 1 3 . 1 1 62 62 SER HA H 62 5.659 5.659 5.051 0.608 17551 1753 1 3 . 1 1 62 62 SER C C 62 172.545 172.545 173.338 -0.793 17551 1754 1 3 . 1 1 62 62 SER CA C 62 56.974 56.974 57.340 -0.366 17551 1755 1 3 . 1 1 62 62 SER CB C 62 64.719 64.719 64.297 0.422 17551 1756 1 3 . 1 1 62 62 SER H H 62 8.986 8.986 8.844 0.142 17551 1757 1 3 . 1 1 63 63 PHE N N 63 118.769 118.769 121.822 -3.053 17551 1758 1 3 . 1 1 63 63 PHE HA H 63 5.016 5.016 5.026 -0.010 17551 1759 1 3 . 1 1 63 63 PHE C C 63 172.500 172.500 173.774 -1.274 17551 1760 1 3 . 1 1 63 63 PHE CA C 63 55.793 55.793 56.827 -1.034 17551 1761 1 3 . 1 1 63 63 PHE CB C 63 39.459 39.459 41.492 -2.033 17551 1762 1 3 . 1 1 63 63 PHE H H 63 8.514 8.514 8.300 0.214 17551 1763 1 3 . 1 1 64 64 THR N N 64 120.318 120.318 119.020 1.298 17551 1764 1 3 . 1 1 64 64 THR HA H 64 5.617 5.617 4.991 0.626 17551 1765 1 3 . 1 1 64 64 THR C C 64 175.240 175.240 174.667 0.573 17551 1766 1 3 . 1 1 64 64 THR CA C 64 60.409 60.409 61.335 -0.926 17551 1767 1 3 . 1 1 64 64 THR CB C 64 71.213 71.213 70.035 1.178 17551 1768 1 3 . 1 1 64 64 THR H H 64 9.743 9.743 8.568 1.175 17551 1769 1 3 . 1 1 65 65 ILE N N 65 127.640 127.640 127.422 0.218 17551 1770 1 3 . 1 1 65 65 ILE HA H 65 4.089 4.089 3.837 0.252 17551 1771 1 3 . 1 1 65 65 ILE C C 65 176.477 176.477 177.438 -0.961 17551 1772 1 3 . 1 1 65 65 ILE CA C 65 59.299 59.299 61.772 -2.473 17551 1773 1 3 . 1 1 65 65 ILE CB C 65 35.445 35.445 36.531 -1.085 17551 1774 1 3 . 1 1 65 65 ILE H H 65 8.961 8.961 8.838 0.123 17551 1775 1 3 . 1 1 66 66 ASP N N 66 117.361 117.361 124.237 -6.876 17551 1776 1 3 . 1 1 66 66 ASP HA H 66 4.080 4.080 4.209 -0.129 17551 1777 1 3 . 1 1 66 66 ASP C C 66 174.730 174.730 174.277 0.453 17551 1778 1 3 . 1 1 66 66 ASP CA C 66 57.150 57.150 55.929 1.221 17551 1779 1 3 . 1 1 66 66 ASP CB C 66 38.442 38.442 40.500 -2.058 17551 1780 1 3 . 1 1 66 66 ASP H H 66 9.264 9.264 9.239 0.025 17551 1781 1 3 . 1 1 67 67 LYS N N 67 121.171 121.171 118.625 2.546 17551 1782 1 3 . 1 1 67 67 LYS HA H 67 4.805 4.805 4.596 0.209 17551 1783 1 3 . 1 1 67 67 LYS C C 67 175.115 175.115 174.421 0.694 17551 1784 1 3 . 1 1 67 67 LYS CA C 67 53.900 53.900 54.438 -0.538 17551 1785 1 3 . 1 1 67 67 LYS CB C 67 34.256 34.256 35.825 -1.569 17551 1786 1 3 . 1 1 67 67 LYS H H 67 8.185 8.185 7.713 0.472 17551 1787 1 3 . 1 1 68 68 GLU N N 68 130.373 130.373 125.856 4.517 17551 1788 1 3 . 1 1 68 68 GLU HA H 68 4.194 4.194 4.392 -0.198 17551 1789 1 3 . 1 1 68 68 GLU C C 68 175.449 175.449 175.523 -0.074 17551 1790 1 3 . 1 1 68 68 GLU CA C 68 58.343 58.343 56.662 1.681 17551 1791 1 3 . 1 1 68 68 GLU H H 68 8.879 8.879 8.771 0.108 17551 1792 1 3 . 1 1 69 69 ALA N N 69 130.113 130.113 129.545 0.568 17551 1793 1 3 . 1 1 69 69 ALA HA H 69 4.924 4.924 4.633 0.291 17551 1794 1 3 . 1 1 69 69 ALA C C 69 175.797 175.797 175.388 0.409 17551 1795 1 3 . 1 1 69 69 ALA CA C 69 50.151 50.151 50.519 -0.368 17551 1796 1 3 . 1 1 69 69 ALA CB C 69 22.239 22.239 22.758 -0.518 17551 1797 1 3 . 1 1 69 69 ALA H H 69 8.864 8.864 9.092 -0.228 17551 1798 1 3 . 1 1 70 70 ASP N N 70 120.889 120.889 122.359 -1.470 17551 1799 1 3 . 1 1 70 70 ASP HA H 70 4.852 4.852 4.740 0.112 17551 1800 1 3 . 1 1 70 70 ASP C C 70 175.541 175.541 175.090 0.451 17551 1801 1 3 . 1 1 70 70 ASP CA C 70 54.211 54.211 54.107 0.104 17551 1802 1 3 . 1 1 70 70 ASP CB C 70 41.052 41.052 41.659 -0.607 17551 1803 1 3 . 1 1 70 70 ASP H H 70 8.319 8.319 8.687 -0.368 17551 1804 1 3 . 1 1 71 71 MET N N 71 125.005 125.005 122.707 2.298 17551 1805 1 3 . 1 1 71 71 MET HA H 71 4.743 4.743 5.001 -0.258 17551 1806 1 3 . 1 1 71 71 MET C C 71 174.047 174.047 173.609 0.438 17551 1807 1 3 . 1 1 71 71 MET CA C 71 54.265 54.265 53.948 0.317 17551 1808 1 3 . 1 1 71 71 MET CB C 71 39.844 39.844 37.509 2.335 17551 1809 1 3 . 1 1 71 71 MET H H 71 8.796 8.796 8.664 0.132 17551 1810 1 3 . 1 1 72 72 GLU N N 72 118.909 118.909 120.097 -1.188 17551 1811 1 3 . 1 1 72 72 GLU HA H 72 5.613 5.613 5.374 0.239 17551 1812 1 3 . 1 1 72 72 GLU C C 72 176.109 176.109 175.242 0.867 17551 1813 1 3 . 1 1 72 72 GLU CA C 72 53.790 53.790 55.029 -1.239 17551 1814 1 3 . 1 1 72 72 GLU CB C 72 33.986 33.986 33.584 0.402 17551 1815 1 3 . 1 1 72 72 GLU H H 72 9.225 9.225 8.921 0.304 17551 1816 1 3 . 1 1 73 73 THR N N 73 109.667 109.667 115.630 -5.963 17551 1817 1 3 . 1 1 73 73 THR HA H 73 4.538 4.538 4.656 -0.118 17551 1818 1 3 . 1 1 73 73 THR C C 73 176.660 176.660 174.860 1.800 17551 1819 1 3 . 1 1 73 73 THR CA C 73 59.666 59.666 60.515 -0.849 17551 1820 1 3 . 1 1 73 73 THR CB C 73 69.710 69.710 70.766 -1.056 17551 1821 1 3 . 1 1 73 73 THR H H 73 8.904 8.904 8.970 -0.066 17551 1822 1 3 . 1 1 74 74 MET N N 74 117.519 117.519 119.061 -1.542 17551 1823 1 3 . 1 1 74 74 MET HA H 74 4.776 4.776 4.404 0.372 17551 1824 1 3 . 1 1 74 74 MET C C 74 176.641 176.641 176.450 0.191 17551 1825 1 3 . 1 1 74 74 MET CA C 74 58.631 58.631 56.978 1.653 17551 1826 1 3 . 1 1 74 74 MET H H 74 8.206 8.206 8.614 -0.408 17551 1827 1 3 . 1 1 75 75 GLY N N 75 103.810 103.810 103.920 -0.110 17551 1828 1 3 . 1 1 75 75 GLY C C 75 173.956 173.956 174.763 -0.807 17551 1829 1 3 . 1 1 75 75 GLY CA C 75 43.728 43.728 44.895 -1.167 17551 1830 1 3 . 1 1 75 75 GLY H H 75 8.067 8.067 7.544 0.523 17551 1831 1 3 . 1 1 76 76 GLY N N 76 108.498 108.498 108.437 0.061 17551 1832 1 3 . 1 1 76 76 GLY C C 76 173.267 173.267 173.911 -0.644 17551 1833 1 3 . 1 1 76 76 GLY CA C 76 44.563 44.563 44.511 0.052 17551 1834 1 3 . 1 1 76 76 GLY H H 76 7.702 7.702 7.525 0.177 17551 1835 1 3 . 1 1 77 77 ARG N N 77 121.161 121.161 121.111 0.050 17551 1836 1 3 . 1 1 77 77 ARG HA H 77 4.348 4.348 4.483 -0.135 17551 1837 1 3 . 1 1 77 77 ARG C C 77 176.083 176.083 175.421 0.662 17551 1838 1 3 . 1 1 77 77 ARG CA C 77 55.350 55.350 55.159 0.191 17551 1839 1 3 . 1 1 77 77 ARG CB C 77 30.904 30.904 31.257 -0.353 17551 1840 1 3 . 1 1 77 77 ARG H H 77 7.328 7.328 7.924 -0.596 17551 1841 1 3 . 1 1 78 78 LYS N N 78 126.790 126.790 125.394 1.396 17551 1842 1 3 . 1 1 78 78 LYS HA H 78 5.147 5.147 4.942 0.205 17551 1843 1 3 . 1 1 78 78 LYS C C 78 176.961 176.961 176.149 0.812 17551 1844 1 3 . 1 1 78 78 LYS CA C 78 55.487 55.487 56.008 -0.521 17551 1845 1 3 . 1 1 78 78 LYS CB C 78 32.769 32.769 33.572 -0.802 17551 1846 1 3 . 1 1 78 78 LYS H H 78 8.771 8.771 8.656 0.115 17551 1847 1 3 . 1 1 79 79 PHE N N 79 119.480 119.480 121.319 -1.839 17551 1848 1 3 . 1 1 79 79 PHE HA H 79 4.898 4.898 4.961 -0.063 17551 1849 1 3 . 1 1 79 79 PHE C C 79 171.587 171.587 173.307 -1.720 17551 1850 1 3 . 1 1 79 79 PHE CA C 79 55.817 55.817 56.548 -0.731 17551 1851 1 3 . 1 1 79 79 PHE CB C 79 40.702 40.702 41.795 -1.093 17551 1852 1 3 . 1 1 79 79 PHE H H 79 8.794 8.794 8.599 0.195 17551 1853 1 3 . 1 1 80 80 LYS N N 80 119.760 119.760 119.436 0.324 17551 1854 1 3 . 1 1 80 80 LYS HA H 80 5.460 5.460 5.347 0.113 17551 1855 1 3 . 1 1 80 80 LYS C C 80 176.538 176.538 175.569 0.969 17551 1856 1 3 . 1 1 80 80 LYS CA C 80 53.988 53.988 54.491 -0.503 17551 1857 1 3 . 1 1 80 80 LYS CB C 80 35.754 35.754 35.403 0.351 17551 1858 1 3 . 1 1 80 80 LYS H H 80 8.414 8.414 8.444 -0.030 17551 1859 1 3 . 1 1 81 81 ALA N N 81 121.171 121.171 125.789 -4.618 17551 1860 1 3 . 1 1 81 81 ALA HA H 81 4.738 4.738 4.610 0.128 17551 1861 1 3 . 1 1 81 81 ALA C C 81 175.290 175.290 174.925 0.365 17551 1862 1 3 . 1 1 81 81 ALA CA C 81 51.262 51.262 51.461 -0.199 17551 1863 1 3 . 1 1 81 81 ALA CB C 81 22.568 22.568 22.091 0.477 17551 1864 1 3 . 1 1 81 81 ALA H H 81 8.525 8.525 8.844 -0.319 17551 1865 1 3 . 1 1 82 82 THR N N 82 117.970 117.970 116.522 1.448 17551 1866 1 3 . 1 1 82 82 THR HA H 82 4.292 4.292 4.924 -0.632 17551 1867 1 3 . 1 1 82 82 THR C C 82 172.556 172.556 174.188 -1.632 17551 1868 1 3 . 1 1 82 82 THR CA C 82 61.640 61.640 61.608 0.032 17551 1869 1 3 . 1 1 82 82 THR CB C 82 68.485 68.485 69.631 -1.146 17551 1870 1 3 . 1 1 82 82 THR H H 82 8.448 8.448 8.438 0.010 17551 1871 1 3 . 1 1 83 83 VAL N N 83 131.564 131.564 124.433 7.131 17551 1872 1 3 . 1 1 83 83 VAL HA H 83 3.784 3.784 4.593 -0.809 17551 1873 1 3 . 1 1 83 83 VAL C C 83 174.167 174.167 174.497 -0.330 17551 1874 1 3 . 1 1 83 83 VAL CA C 83 62.059 62.059 60.825 1.234 17551 1875 1 3 . 1 1 83 83 VAL CB C 83 31.076 31.076 34.071 -2.994 17551 1876 1 3 . 1 1 83 83 VAL H H 83 9.722 9.722 7.939 1.783 17551 1877 1 3 . 1 1 84 84 LYS N N 84 125.930 125.930 123.029 2.901 17551 1878 1 3 . 1 1 84 84 LYS HA H 84 4.851 4.851 4.735 0.116 17551 1879 1 3 . 1 1 84 84 LYS C C 84 175.025 175.025 174.092 0.933 17551 1880 1 3 . 1 1 84 84 LYS CA C 84 54.213 54.213 54.438 -0.225 17551 1881 1 3 . 1 1 84 84 LYS CB C 84 35.076 35.076 35.796 -0.720 17551 1882 1 3 . 1 1 84 84 LYS H H 84 8.541 8.541 9.037 -0.496 17551 1883 1 3 . 1 1 85 85 MET N N 85 119.366 119.366 120.408 -1.042 17551 1884 1 3 . 1 1 85 85 MET HA H 85 5.517 5.517 5.187 0.330 17551 1885 1 3 . 1 1 85 85 MET C C 85 175.698 175.698 174.978 0.720 17551 1886 1 3 . 1 1 85 85 MET CA C 85 54.256 54.256 55.045 -0.789 17551 1887 1 3 . 1 1 85 85 MET CB C 85 35.406 35.406 35.735 -0.329 17551 1888 1 3 . 1 1 85 85 MET H H 85 8.992 8.992 8.516 0.476 17551 1889 1 3 . 1 1 86 86 GLU N N 86 125.741 125.741 125.171 0.570 17551 1890 1 3 . 1 1 86 86 GLU HA H 86 4.654 4.654 4.555 0.099 17551 1891 1 3 . 1 1 86 86 GLU C C 86 177.223 177.223 176.533 0.690 17551 1892 1 3 . 1 1 86 86 GLU CA C 86 54.213 54.213 55.875 -1.662 17551 1893 1 3 . 1 1 86 86 GLU CB C 86 31.578 31.578 30.685 0.893 17551 1894 1 3 . 1 1 86 86 GLU H H 86 9.063 9.063 8.930 0.133 17551 1895 1 3 . 1 1 87 87 GLY N N 87 117.720 117.720 113.553 4.167 17551 1896 1 3 . 1 1 87 87 GLY C C 87 175.275 175.275 174.936 0.339 17551 1897 1 3 . 1 1 87 87 GLY CA C 87 46.902 46.902 44.801 2.101 17551 1898 1 3 . 1 1 87 87 GLY H H 87 9.300 9.300 9.218 0.082 17551 1899 1 3 . 1 1 88 88 GLY N N 88 109.070 109.070 103.944 5.126 17551 1900 1 3 . 1 1 88 88 GLY C C 88 172.863 172.863 173.136 -0.273 17551 1901 1 3 . 1 1 88 88 GLY CA C 88 44.853 44.853 45.339 -0.485 17551 1902 1 3 . 1 1 88 88 GLY H H 88 8.739 8.739 8.474 0.265 17551 1903 1 3 . 1 1 89 89 LYS N N 89 120.150 120.150 118.254 1.896 17551 1904 1 3 . 1 1 89 89 LYS HA H 89 5.113 5.113 5.062 0.051 17551 1905 1 3 . 1 1 89 89 LYS C C 89 175.487 175.487 175.453 0.034 17551 1906 1 3 . 1 1 89 89 LYS CA C 89 54.363 54.363 54.449 -0.086 17551 1907 1 3 . 1 1 89 89 LYS CB C 89 33.753 33.753 34.870 -1.117 17551 1908 1 3 . 1 1 89 89 LYS H H 89 7.853 7.853 7.483 0.370 17551 1909 1 3 . 1 1 90 90 ILE N N 90 124.537 124.537 125.940 -1.403 17551 1910 1 3 . 1 1 90 90 ILE HA H 90 4.489 4.489 4.436 0.053 17551 1911 1 3 . 1 1 90 90 ILE C C 90 175.679 175.679 174.969 0.710 17551 1912 1 3 . 1 1 90 90 ILE CA C 90 60.930 60.930 61.252 -0.322 17551 1913 1 3 . 1 1 90 90 ILE CB C 90 38.367 38.367 37.452 0.915 17551 1914 1 3 . 1 1 90 90 ILE H H 90 9.081 9.081 8.776 0.305 17551 1915 1 3 . 1 1 91 91 VAL N N 91 124.871 124.871 129.246 -4.375 17551 1916 1 3 . 1 1 91 91 VAL HA H 91 4.591 4.591 4.975 -0.384 17551 1917 1 3 . 1 1 91 91 VAL C C 91 173.890 173.890 173.369 0.521 17551 1918 1 3 . 1 1 91 91 VAL CA C 91 60.743 60.743 59.305 1.438 17551 1919 1 3 . 1 1 91 91 VAL CB C 91 35.279 35.279 35.745 -0.466 17551 1920 1 3 . 1 1 91 91 VAL H H 91 8.786 8.786 8.396 0.390 17551 1921 1 3 . 1 1 92 92 ALA N N 92 129.590 129.590 130.987 -1.397 17551 1922 1 3 . 1 1 92 92 ALA HA H 92 4.563 4.563 4.645 -0.082 17551 1923 1 3 . 1 1 92 92 ALA C C 92 173.855 173.855 175.244 -1.389 17551 1924 1 3 . 1 1 92 92 ALA CA C 92 49.864 49.864 49.789 0.075 17551 1925 1 3 . 1 1 92 92 ALA CB C 92 21.948 21.948 22.042 -0.094 17551 1926 1 3 . 1 1 92 92 ALA H H 92 9.228 9.228 9.038 0.190 17551 1927 1 3 . 1 1 93 93 ASP N N 93 121.654 121.654 122.144 -0.490 17551 1928 1 3 . 1 1 93 93 ASP HA H 93 5.342 5.342 4.766 0.576 17551 1929 1 3 . 1 1 93 93 ASP C C 93 173.521 173.521 174.644 -1.123 17551 1930 1 3 . 1 1 93 93 ASP CA C 93 53.658 53.658 53.782 -0.124 17551 1931 1 3 . 1 1 93 93 ASP CB C 93 44.462 44.462 42.143 2.319 17551 1932 1 3 . 1 1 93 93 ASP H H 93 8.326 8.326 7.672 0.654 17551 1933 1 3 . 1 1 94 94 PHE N N 94 122.296 122.296 123.463 -1.167 17551 1934 1 3 . 1 1 94 94 PHE HA H 94 5.024 5.024 4.829 0.195 17551 1935 1 3 . 1 1 94 94 PHE CA C 94 53.952 53.952 55.518 -1.566 17551 1936 1 3 . 1 1 94 94 PHE CB C 94 38.958 38.958 42.401 -3.443 17551 1937 1 3 . 1 1 94 94 PHE H H 94 8.776 8.776 7.859 0.917 17551 1938 1 3 . 1 1 95 95 PRO HA H 95 4.396 4.396 4.566 -0.170 17551 1939 1 3 . 1 1 95 95 PRO C C 95 177.375 177.375 176.753 0.622 17551 1940 1 3 . 1 1 95 95 PRO CA C 95 64.386 64.386 63.467 0.919 17551 1941 1 3 . 1 1 95 95 PRO CB C 95 30.432 30.432 31.695 -1.263 17551 1942 1 3 . 1 1 96 96 ASN N N 96 120.924 120.924 118.966 1.958 17551 1943 1 3 . 1 1 96 96 ASN HA H 96 4.619 4.619 4.449 0.170 17551 1944 1 3 . 1 1 96 96 ASN C C 96 174.189 174.189 173.248 0.941 17551 1945 1 3 . 1 1 96 96 ASN CA C 96 53.442 53.442 54.376 -0.934 17551 1946 1 3 . 1 1 96 96 ASN CB C 96 38.069 38.069 37.604 0.465 17551 1947 1 3 . 1 1 96 96 ASN H H 96 9.183 9.183 9.020 0.163 17551 1948 1 3 . 1 1 97 97 TYR N N 97 120.943 120.943 118.398 2.545 17551 1949 1 3 . 1 1 97 97 TYR HA H 97 4.804 4.804 5.593 -0.789 17551 1950 1 3 . 1 1 97 97 TYR C C 97 172.713 172.713 173.559 -0.846 17551 1951 1 3 . 1 1 97 97 TYR CA C 97 59.314 59.314 57.233 2.081 17551 1952 1 3 . 1 1 97 97 TYR CB C 97 40.512 40.512 41.913 -1.401 17551 1953 1 3 . 1 1 97 97 TYR H H 97 8.066 8.066 7.451 0.615 17551 1954 1 3 . 1 1 98 98 HIS N N 98 128.370 128.370 127.457 0.913 17551 1955 1 3 . 1 1 98 98 HIS HA H 98 5.466 5.466 5.132 0.334 17551 1956 1 3 . 1 1 98 98 HIS C C 98 172.821 172.821 173.227 -0.406 17551 1957 1 3 . 1 1 98 98 HIS CA C 98 54.311 54.311 54.962 -0.651 17551 1958 1 3 . 1 1 98 98 HIS CB C 98 31.053 31.053 32.178 -1.125 17551 1959 1 3 . 1 1 98 98 HIS H H 98 8.786 8.786 8.749 0.037 17551 1960 1 3 . 1 1 99 99 HIS N N 99 130.146 130.146 129.441 0.705 17551 1961 1 3 . 1 1 99 99 HIS HA H 99 5.689 5.689 5.652 0.037 17551 1962 1 3 . 1 1 99 99 HIS C C 99 173.405 173.405 174.007 -0.602 17551 1963 1 3 . 1 1 99 99 HIS CA C 99 55.101 55.101 54.188 0.913 17551 1964 1 3 . 1 1 99 99 HIS CB C 99 34.888 34.888 31.798 3.090 17551 1965 1 3 . 1 1 99 99 HIS H H 99 8.963 8.963 8.338 0.625 17551 1966 1 3 . 1 1 100 100 THR N N 100 117.843 117.843 119.485 -1.642 17551 1967 1 3 . 1 1 100 100 THR HA H 100 5.597 5.597 5.437 0.160 17551 1968 1 3 . 1 1 100 100 THR C C 100 172.563 172.563 172.660 -0.097 17551 1969 1 3 . 1 1 100 100 THR CA C 100 57.863 57.863 59.673 -1.810 17551 1970 1 3 . 1 1 100 100 THR CB C 100 71.830 71.830 71.682 0.148 17551 1971 1 3 . 1 1 100 100 THR H H 100 8.871 8.871 8.650 0.221 17551 1972 1 3 . 1 1 101 101 ALA N N 101 121.591 121.591 126.745 -5.154 17551 1973 1 3 . 1 1 101 101 ALA HA H 101 5.318 5.318 5.221 0.097 17551 1974 1 3 . 1 1 101 101 ALA C C 101 175.540 175.540 175.478 0.062 17551 1975 1 3 . 1 1 101 101 ALA CA C 101 50.320 50.320 50.179 0.141 17551 1976 1 3 . 1 1 101 101 ALA CB C 101 22.819 22.819 22.049 0.770 17551 1977 1 3 . 1 1 101 101 ALA H H 101 8.825 8.825 9.016 -0.191 17551 1978 1 3 . 1 1 102 102 GLU N N 102 118.491 118.491 120.500 -2.009 17551 1979 1 3 . 1 1 102 102 GLU HA H 102 5.194 5.194 4.902 0.292 17551 1980 1 3 . 1 1 102 102 GLU C C 102 172.497 172.497 174.044 -1.547 17551 1981 1 3 . 1 1 102 102 GLU CA C 102 53.879 53.879 54.800 -0.921 17551 1982 1 3 . 1 1 102 102 GLU H H 102 8.785 8.785 8.096 0.689 17551 1983 1 3 . 1 1 103 103 ILE N N 103 121.813 121.813 120.089 1.724 17551 1984 1 3 . 1 1 103 103 ILE HA H 103 5.129 5.129 4.982 0.147 17551 1985 1 3 . 1 1 103 103 ILE C C 103 177.119 177.119 175.689 1.430 17551 1986 1 3 . 1 1 103 103 ILE CA C 103 56.631 56.631 59.320 -2.689 17551 1987 1 3 . 1 1 103 103 ILE CB C 103 34.564 34.564 37.081 -2.517 17551 1988 1 3 . 1 1 103 103 ILE H H 103 8.442 8.442 8.468 -0.026 17551 1989 1 3 . 1 1 104 104 SER N N 104 122.295 122.295 122.332 -0.037 17551 1990 1 3 . 1 1 104 104 SER HA H 104 4.783 4.783 4.604 0.179 17551 1991 1 3 . 1 1 104 104 SER CA C 104 55.521 55.521 57.085 -1.564 17551 1992 1 3 . 1 1 104 104 SER CB C 104 63.426 63.426 63.912 -0.486 17551 1993 1 3 . 1 1 104 104 SER H H 104 9.119 9.119 8.956 0.163 17551 1994 1 3 . 1 1 105 105 GLY C C 105 175.730 175.730 174.801 0.929 17551 1995 1 3 . 1 1 105 105 GLY CA C 105 46.925 46.925 45.229 1.696 17551 1996 1 3 . 1 1 106 106 GLY N N 106 105.123 105.123 105.103 0.020 17551 1997 1 3 . 1 1 106 106 GLY C C 106 173.229 173.229 173.559 -0.330 17551 1998 1 3 . 1 1 106 106 GLY CA C 106 44.771 44.771 44.909 -0.138 17551 1999 1 3 . 1 1 106 106 GLY H H 106 8.476 8.476 8.383 0.093 17551 2000 1 3 . 1 1 107 107 LYS N N 107 119.187 119.187 118.450 0.737 17551 2001 1 3 . 1 1 107 107 LYS HA H 107 4.856 4.856 4.869 -0.013 17551 2002 1 3 . 1 1 107 107 LYS C C 107 174.072 174.072 174.275 -0.203 17551 2003 1 3 . 1 1 107 107 LYS CA C 107 54.240 54.240 54.873 -0.632 17551 2004 1 3 . 1 1 107 107 LYS CB C 107 34.508 34.508 36.179 -1.671 17551 2005 1 3 . 1 1 107 107 LYS H H 107 7.639 7.639 7.299 0.340 17551 2006 1 3 . 1 1 108 108 LEU N N 108 122.725 122.725 124.435 -1.710 17551 2007 1 3 . 1 1 108 108 LEU HA H 108 4.793 4.793 4.993 -0.200 17551 2008 1 3 . 1 1 108 108 LEU C C 108 174.906 174.906 174.588 0.318 17551 2009 1 3 . 1 1 108 108 LEU CA C 108 54.275 54.275 53.471 0.804 17551 2010 1 3 . 1 1 108 108 LEU CB C 108 42.801 42.801 42.776 0.025 17551 2011 1 3 . 1 1 108 108 LEU H H 108 8.481 8.481 8.789 -0.308 17551 2012 1 3 . 1 1 109 109 VAL N N 109 130.844 130.844 127.988 2.856 17551 2013 1 3 . 1 1 109 109 VAL HA H 109 4.953 4.953 5.002 -0.049 17551 2014 1 3 . 1 1 109 109 VAL C C 109 176.004 176.004 173.864 2.140 17551 2015 1 3 . 1 1 109 109 VAL CA C 109 61.541 61.541 59.733 1.808 17551 2016 1 3 . 1 1 109 109 VAL CB C 109 32.721 32.721 34.908 -2.187 17551 2017 1 3 . 1 1 109 109 VAL H H 109 9.391 9.391 8.692 0.699 17551 2018 1 3 . 1 1 110 110 GLU N N 110 130.618 130.618 129.546 1.072 17551 2019 1 3 . 1 1 110 110 GLU HA H 110 5.393 5.393 5.169 0.224 17551 2020 1 3 . 1 1 110 110 GLU C C 110 175.537 175.537 175.427 0.110 17551 2021 1 3 . 1 1 110 110 GLU CA C 110 53.476 53.476 54.712 -1.236 17551 2022 1 3 . 1 1 110 110 GLU H H 110 9.386 9.386 8.811 0.575 17551 2023 1 3 . 1 1 111 111 ILE N N 111 126.952 126.952 126.177 0.775 17551 2024 1 3 . 1 1 111 111 ILE HA H 111 4.910 4.910 4.654 0.256 17551 2025 1 3 . 1 1 111 111 ILE C C 111 175.156 175.156 174.842 0.314 17551 2026 1 3 . 1 1 111 111 ILE CA C 111 59.562 59.562 60.200 -0.638 17551 2027 1 3 . 1 1 111 111 ILE CB C 111 39.029 39.029 39.994 -0.965 17551 2028 1 3 . 1 1 111 111 ILE H H 111 8.912 8.912 8.889 0.023 17551 2029 1 3 . 1 1 112 112 SER N N 112 125.389 125.389 124.697 0.692 17551 2030 1 3 . 1 1 112 112 SER HA H 112 5.524 5.524 5.377 0.147 17551 2031 1 3 . 1 1 112 112 SER C C 112 172.120 172.120 173.908 -1.788 17551 2032 1 3 . 1 1 112 112 SER CA C 112 55.756 55.756 56.635 -0.879 17551 2033 1 3 . 1 1 112 112 SER CB C 112 64.025 64.025 64.114 -0.089 17551 2034 1 3 . 1 1 112 112 SER H H 112 9.495 9.495 9.170 0.325 17551 2035 1 3 . 1 1 113 113 THR N N 113 119.329 119.329 122.736 -3.407 17551 2036 1 3 . 1 1 113 113 THR HA H 113 5.633 5.633 5.068 0.565 17551 2037 1 3 . 1 1 113 113 THR C C 113 174.911 174.911 173.919 0.992 17551 2038 1 3 . 1 1 113 113 THR CA C 113 60.362 60.362 61.833 -1.471 17551 2039 1 3 . 1 1 113 113 THR CB C 113 70.377 70.377 69.819 0.558 17551 2040 1 3 . 1 1 113 113 THR H H 113 9.274 9.274 8.893 0.381 17551 2041 1 3 . 1 1 114 114 SER N N 114 121.027 121.027 120.341 0.686 17551 2042 1 3 . 1 1 114 114 SER HA H 114 4.479 4.479 5.203 -0.724 17551 2043 1 3 . 1 1 114 114 SER C C 114 174.507 174.507 173.908 0.599 17551 2044 1 3 . 1 1 114 114 SER CA C 114 57.423 57.423 57.709 -0.286 17551 2045 1 3 . 1 1 114 114 SER CB C 114 64.798 64.798 64.384 0.414 17551 2046 1 3 . 1 1 114 114 SER H H 114 8.657 8.657 8.790 -0.133 17551 2047 1 3 . 1 1 115 115 SER N N 115 122.405 122.405 123.525 -1.120 17551 2048 1 3 . 1 1 115 115 SER HA H 115 4.092 4.092 4.222 -0.130 17551 2049 1 3 . 1 1 115 115 SER C C 115 174.387 174.387 174.291 0.096 17551 2050 1 3 . 1 1 115 115 SER CA C 115 58.417 58.417 59.341 -0.924 17551 2051 1 3 . 1 1 115 115 SER CB C 115 61.860 61.860 61.663 0.197 17551 2052 1 3 . 1 1 115 115 SER H H 115 9.265 9.265 9.181 0.084 17551 2053 1 3 . 1 1 116 116 GLY N N 116 103.741 103.741 103.383 0.358 17551 2054 1 3 . 1 1 116 116 GLY C C 116 173.618 173.618 174.349 -0.731 17551 2055 1 3 . 1 1 116 116 GLY CA C 116 44.584 44.584 44.714 -0.130 17551 2056 1 3 . 1 1 116 116 GLY H H 116 8.730 8.730 8.384 0.346 17551 2057 1 3 . 1 1 117 117 VAL N N 117 123.819 123.819 124.285 -0.466 17551 2058 1 3 . 1 1 117 117 VAL HA H 117 4.242 4.242 4.055 0.187 17551 2059 1 3 . 1 1 117 117 VAL C C 117 173.712 173.712 174.974 -1.262 17551 2060 1 3 . 1 1 117 117 VAL CA C 117 61.946 61.946 62.503 -0.557 17551 2061 1 3 . 1 1 117 117 VAL CB C 117 32.244 32.244 32.587 -0.343 17551 2062 1 3 . 1 1 117 117 VAL H H 117 8.177 8.177 7.677 0.500 17551 2063 1 3 . 1 1 118 118 VAL N N 118 127.074 127.074 128.721 -1.647 17551 2064 1 3 . 1 1 118 118 VAL HA H 118 4.519 4.519 4.102 0.417 17551 2065 1 3 . 1 1 118 118 VAL C C 118 174.793 174.793 174.847 -0.054 17551 2066 1 3 . 1 1 118 118 VAL CA C 118 61.227 61.227 61.444 -0.217 17551 2067 1 3 . 1 1 118 118 VAL CB C 118 32.503 32.503 31.422 1.081 17551 2068 1 3 . 1 1 118 118 VAL H H 118 8.441 8.441 8.562 -0.121 17551 2069 1 3 . 1 1 119 119 TYR N N 119 131.178 131.178 130.683 0.495 17551 2070 1 3 . 1 1 119 119 TYR HA H 119 5.095 5.095 4.820 0.275 17551 2071 1 3 . 1 1 119 119 TYR C C 119 173.029 173.029 173.784 -0.755 17551 2072 1 3 . 1 1 119 119 TYR CA C 119 54.862 54.862 56.219 -1.357 17551 2073 1 3 . 1 1 119 119 TYR CB C 119 40.213 40.213 40.925 -0.712 17551 2074 1 3 . 1 1 119 119 TYR H H 119 9.315 9.315 8.887 0.428 17551 2075 1 3 . 1 1 120 120 LYS N N 120 126.654 126.654 126.903 -0.249 17551 2076 1 3 . 1 1 120 120 LYS HA H 120 4.922 4.922 5.148 -0.226 17551 2077 1 3 . 1 1 120 120 LYS C C 120 173.813 173.813 174.362 -0.549 17551 2078 1 3 . 1 1 120 120 LYS CA C 120 53.685 53.685 54.167 -0.482 17551 2079 1 3 . 1 1 120 120 LYS CB C 120 36.014 36.014 36.264 -0.250 17551 2080 1 3 . 1 1 120 120 LYS H H 120 7.342 7.342 8.035 -0.693 17551 2081 1 3 . 1 1 121 121 ARG N N 121 124.124 124.124 122.623 1.501 17551 2082 1 3 . 1 1 121 121 ARG HA H 121 4.798 4.798 4.817 -0.019 17551 2083 1 3 . 1 1 121 121 ARG C C 121 174.874 174.874 174.838 0.036 17551 2084 1 3 . 1 1 121 121 ARG CB C 121 34.257 34.257 32.713 1.544 17551 2085 1 3 . 1 1 121 121 ARG H H 121 9.087 9.087 8.815 0.272 17551 2086 1 3 . 1 1 122 122 THR N N 122 122.859 122.859 122.201 0.658 17551 2087 1 3 . 1 1 122 122 THR HA H 122 5.224 5.224 5.283 -0.059 17551 2088 1 3 . 1 1 122 122 THR C C 122 174.321 174.321 173.967 0.354 17551 2089 1 3 . 1 1 122 122 THR CA C 122 62.177 62.177 61.306 0.871 17551 2090 1 3 . 1 1 122 122 THR CB C 122 69.459 69.459 70.488 -1.029 17551 2091 1 3 . 1 1 122 122 THR H H 122 9.358 9.358 8.786 0.572 17551 2092 1 3 . 1 1 123 123 SER N N 123 123.389 123.389 122.209 1.180 17551 2093 1 3 . 1 1 123 123 SER HA H 123 5.196 5.196 5.495 -0.299 17551 2094 1 3 . 1 1 123 123 SER C C 123 172.464 172.464 173.379 -0.915 17551 2095 1 3 . 1 1 123 123 SER CA C 123 57.571 57.571 57.234 0.337 17551 2096 1 3 . 1 1 123 123 SER CB C 123 65.697 65.697 66.499 -0.802 17551 2097 1 3 . 1 1 123 123 SER H H 123 9.749 9.749 9.286 0.463 17551 2098 1 3 . 1 1 124 124 LYS N N 124 125.058 125.058 122.437 2.621 17551 2099 1 3 . 1 1 124 124 LYS HA H 124 4.681 4.681 4.635 0.046 17551 2100 1 3 . 1 1 124 124 LYS C C 124 175.141 175.141 175.591 -0.450 17551 2101 1 3 . 1 1 124 124 LYS CA C 124 54.444 54.444 55.116 -0.672 17551 2102 1 3 . 1 1 124 124 LYS CB C 124 33.492 33.492 34.046 -0.554 17551 2103 1 3 . 1 1 124 124 LYS H H 124 8.808 8.808 8.584 0.224 17551 2104 1 3 . 1 1 125 125 LYS N N 125 126.114 126.114 122.703 3.411 17551 2105 1 3 . 1 1 125 125 LYS HA H 125 4.367 4.367 4.486 -0.119 17551 2106 1 3 . 1 1 125 125 LYS C C 125 176.828 176.828 175.559 1.269 17551 2107 1 3 . 1 1 125 125 LYS CA C 125 56.752 56.752 55.130 1.621 17551 2108 1 3 . 1 1 125 125 LYS CB C 125 32.912 32.912 32.724 0.188 17551 2109 1 3 . 1 1 125 125 LYS H H 125 9.215 9.215 8.498 0.717 17551 2110 1 3 . 1 1 126 126 ILE N N 126 125.207 125.207 123.533 1.674 17551 2111 1 3 . 1 1 126 126 ILE HA H 126 4.302 4.302 4.517 -0.215 17551 2112 1 3 . 1 1 126 126 ILE C C 126 175.240 175.240 173.610 1.630 17551 2113 1 3 . 1 1 126 126 ILE CA C 126 60.067 60.067 59.738 0.329 17551 2114 1 3 . 1 1 126 126 ILE CB C 126 38.611 38.611 41.848 -3.237 17551 2115 1 3 . 1 1 126 126 ILE H H 126 8.777 8.777 8.649 0.128 17551 2116 1 4 . 1 1 2 2 PHE N N 2 114.421 114.421 119.822 -5.401 17551 2117 1 4 . 1 1 2 2 PHE HA H 2 4.205 4.205 4.959 -0.754 17551 2118 1 4 . 1 1 2 2 PHE C C 2 177.675 177.675 176.479 1.196 17551 2119 1 4 . 1 1 2 2 PHE CA C 2 59.748 59.748 57.739 2.010 17551 2120 1 4 . 1 1 2 2 PHE CB C 2 41.014 41.014 40.349 0.665 17551 2121 1 4 . 1 1 2 2 PHE H H 2 9.501 9.501 8.720 0.781 17551 2122 1 4 . 1 1 3 3 THR N N 3 118.304 118.304 117.358 0.946 17551 2123 1 4 . 1 1 3 3 THR HA H 3 4.021 4.021 4.379 -0.358 17551 2124 1 4 . 1 1 3 3 THR C C 3 173.811 173.811 175.024 -1.213 17551 2125 1 4 . 1 1 3 3 THR CA C 3 63.646 63.646 63.929 -0.283 17551 2126 1 4 . 1 1 3 3 THR CB C 3 69.230 69.230 68.800 0.430 17551 2127 1 4 . 1 1 3 3 THR H H 3 7.721 7.721 7.975 -0.254 17551 2128 1 4 . 1 1 4 4 GLY N N 4 113.320 113.320 112.413 0.907 17551 2129 1 4 . 1 1 4 4 GLY C C 4 169.382 169.382 171.778 -2.396 17551 2130 1 4 . 1 1 4 4 GLY CA C 4 44.343 44.343 44.665 -0.322 17551 2131 1 4 . 1 1 4 4 GLY H H 4 8.881 8.881 8.364 0.517 17551 2132 1 4 . 1 1 5 5 LYS N N 5 120.330 120.330 120.227 0.103 17551 2133 1 4 . 1 1 5 5 LYS HA H 5 5.255 5.255 5.225 0.030 17551 2134 1 4 . 1 1 5 5 LYS C C 5 174.306 174.306 174.730 -0.424 17551 2135 1 4 . 1 1 5 5 LYS CA C 5 54.232 54.232 54.205 0.027 17551 2136 1 4 . 1 1 5 5 LYS CB C 5 35.137 35.137 35.417 -0.280 17551 2137 1 4 . 1 1 5 5 LYS H H 5 7.914 7.914 8.260 -0.346 17551 2138 1 4 . 1 1 6 6 TYR N N 6 122.260 122.260 121.961 0.299 17551 2139 1 4 . 1 1 6 6 TYR HA H 6 5.617 5.617 5.747 -0.130 17551 2140 1 4 . 1 1 6 6 TYR C C 6 174.519 174.519 175.684 -1.165 17551 2141 1 4 . 1 1 6 6 TYR CA C 6 55.158 55.158 56.199 -1.041 17551 2142 1 4 . 1 1 6 6 TYR CB C 6 41.637 41.637 42.450 -0.813 17551 2143 1 4 . 1 1 6 6 TYR H H 6 9.736 9.736 8.749 0.987 17551 2144 1 4 . 1 1 7 7 GLU N N 7 122.025 122.025 120.819 1.206 17551 2145 1 4 . 1 1 7 7 GLU HA H 7 5.096 5.096 5.121 -0.025 17551 2146 1 4 . 1 1 7 7 GLU C C 7 174.888 174.888 175.505 -0.617 17551 2147 1 4 . 1 1 7 7 GLU CA C 7 53.988 53.988 53.984 0.004 17551 2148 1 4 . 1 1 7 7 GLU CB C 7 33.716 33.716 34.450 -0.735 17551 2149 1 4 . 1 1 7 7 GLU H H 7 9.461 9.461 8.487 0.974 17551 2150 1 4 . 1 1 8 8 PHE N N 8 126.529 126.529 123.205 3.324 17551 2151 1 4 . 1 1 8 8 PHE HA H 8 4.599 4.599 4.364 0.235 17551 2152 1 4 . 1 1 8 8 PHE C C 8 172.999 172.999 175.021 -2.022 17551 2153 1 4 . 1 1 8 8 PHE CA C 8 59.847 59.847 59.747 0.100 17551 2154 1 4 . 1 1 8 8 PHE CB C 8 40.687 40.687 39.690 0.997 17551 2155 1 4 . 1 1 8 8 PHE H H 8 7.986 7.986 8.868 -0.882 17551 2156 1 4 . 1 1 9 9 GLU N N 9 129.046 129.046 127.002 2.044 17551 2157 1 4 . 1 1 9 9 GLU HA H 9 4.306 4.306 4.314 -0.008 17551 2158 1 4 . 1 1 9 9 GLU C C 9 174.528 174.528 175.318 -0.790 17551 2159 1 4 . 1 1 9 9 GLU CA C 9 56.545 56.545 56.411 0.134 17551 2160 1 4 . 1 1 9 9 GLU CB C 9 32.798 32.798 32.348 0.450 17551 2161 1 4 . 1 1 9 9 GLU H H 9 9.151 9.151 8.195 0.956 17551 2162 1 4 . 1 1 10 10 SER N N 10 111.041 111.041 113.383 -2.342 17551 2163 1 4 . 1 1 10 10 SER HA H 10 4.258 4.258 4.594 -0.336 17551 2164 1 4 . 1 1 10 10 SER C C 10 171.216 171.216 172.067 -0.851 17551 2165 1 4 . 1 1 10 10 SER CA C 10 57.930 57.930 57.533 0.397 17551 2166 1 4 . 1 1 10 10 SER CB C 10 64.720 64.720 66.305 -1.585 17551 2167 1 4 . 1 1 10 10 SER H H 10 7.612 7.612 7.829 -0.217 17551 2168 1 4 . 1 1 11 11 ASP N N 11 118.058 118.058 119.208 -1.150 17551 2169 1 4 . 1 1 11 11 ASP HA H 11 5.500 5.500 5.261 0.239 17551 2170 1 4 . 1 1 11 11 ASP C C 11 174.845 174.845 174.749 0.096 17551 2171 1 4 . 1 1 11 11 ASP CA C 11 51.633 51.633 53.333 -1.700 17551 2172 1 4 . 1 1 11 11 ASP H H 11 8.632 8.632 8.413 0.219 17551 2173 1 4 . 1 1 12 12 GLU N N 12 117.523 117.523 120.805 -3.282 17551 2174 1 4 . 1 1 12 12 GLU HA H 12 4.782 4.782 4.660 0.122 17551 2175 1 4 . 1 1 12 12 GLU C C 12 175.293 175.293 175.924 -0.631 17551 2176 1 4 . 1 1 12 12 GLU CB C 12 33.450 33.450 33.264 0.186 17551 2177 1 4 . 1 1 12 12 GLU H H 12 8.562 8.562 9.069 -0.507 17551 2178 1 4 . 1 1 13 13 ASN N N 13 118.877 118.877 121.898 -3.021 17551 2179 1 4 . 1 1 13 13 ASN HA H 13 4.742 4.742 4.561 0.181 17551 2180 1 4 . 1 1 13 13 ASN C C 13 175.303 175.303 174.916 0.387 17551 2181 1 4 . 1 1 13 13 ASN CA C 13 53.373 53.373 54.126 -0.752 17551 2182 1 4 . 1 1 13 13 ASN CB C 13 37.207 37.207 37.840 -0.633 17551 2183 1 4 . 1 1 13 13 ASN H H 13 9.110 9.110 9.170 -0.060 17551 2184 1 4 . 1 1 14 14 TYR N N 14 118.061 118.061 120.621 -2.560 17551 2185 1 4 . 1 1 14 14 TYR HA H 14 4.015 4.015 4.404 -0.389 17551 2186 1 4 . 1 1 14 14 TYR C C 14 176.581 176.581 176.453 0.128 17551 2187 1 4 . 1 1 14 14 TYR CA C 14 62.797 62.797 62.275 0.522 17551 2188 1 4 . 1 1 14 14 TYR CB C 14 38.998 38.998 38.839 0.160 17551 2189 1 4 . 1 1 14 14 TYR H H 14 8.731 8.731 8.372 0.359 17551 2190 1 4 . 1 1 15 15 ASP N N 15 115.317 115.317 118.698 -3.381 17551 2191 1 4 . 1 1 15 15 ASP HA H 15 4.112 4.112 4.423 -0.311 17551 2192 1 4 . 1 1 15 15 ASP C C 15 178.333 178.333 178.298 0.035 17551 2193 1 4 . 1 1 15 15 ASP CA C 15 57.819 57.819 58.969 -1.150 17551 2194 1 4 . 1 1 15 15 ASP CB C 15 40.410 40.410 40.083 0.327 17551 2195 1 4 . 1 1 15 15 ASP H H 15 8.316 8.316 8.940 -0.624 17551 2196 1 4 . 1 1 16 16 ASP N N 16 117.774 117.774 119.197 -1.423 17551 2197 1 4 . 1 1 16 16 ASP HA H 16 4.392 4.392 4.423 -0.031 17551 2198 1 4 . 1 1 16 16 ASP C C 16 178.597 178.597 178.103 0.494 17551 2199 1 4 . 1 1 16 16 ASP CA C 16 56.348 56.348 57.190 -0.842 17551 2200 1 4 . 1 1 16 16 ASP CB C 16 39.883 39.883 41.026 -1.143 17551 2201 1 4 . 1 1 16 16 ASP H H 16 8.449 8.449 8.472 -0.023 17551 2202 1 4 . 1 1 17 17 PHE N N 17 120.363 120.363 120.670 -0.307 17551 2203 1 4 . 1 1 17 17 PHE HA H 17 4.068 4.068 4.123 -0.055 17551 2204 1 4 . 1 1 17 17 PHE C C 17 176.755 176.755 177.441 -0.686 17551 2205 1 4 . 1 1 17 17 PHE CA C 17 61.840 61.840 61.049 0.791 17551 2206 1 4 . 1 1 17 17 PHE CB C 17 39.794 39.794 39.051 0.743 17551 2207 1 4 . 1 1 17 17 PHE H H 17 7.931 7.931 7.499 0.432 17551 2208 1 4 . 1 1 18 18 VAL N N 18 110.180 110.180 116.823 -6.643 17551 2209 1 4 . 1 1 18 18 VAL HA H 18 3.595 3.595 3.410 0.185 17551 2210 1 4 . 1 1 18 18 VAL C C 18 178.434 178.434 177.745 0.689 17551 2211 1 4 . 1 1 18 18 VAL CA C 18 64.697 64.697 66.676 -1.979 17551 2212 1 4 . 1 1 18 18 VAL CB C 18 29.602 29.602 31.355 -1.753 17551 2213 1 4 . 1 1 18 18 VAL H H 18 8.294 8.294 8.323 -0.029 17551 2214 1 4 . 1 1 19 19 LYS N N 19 119.749 119.749 117.713 2.036 17551 2215 1 4 . 1 1 19 19 LYS HA H 19 4.108 4.108 4.085 0.023 17551 2216 1 4 . 1 1 19 19 LYS C C 19 179.796 179.796 178.735 1.061 17551 2217 1 4 . 1 1 19 19 LYS CA C 19 58.320 58.320 58.094 0.226 17551 2218 1 4 . 1 1 19 19 LYS CB C 19 31.918 31.918 31.812 0.106 17551 2219 1 4 . 1 1 19 19 LYS H H 19 7.382 7.382 8.210 -0.828 17551 2220 1 4 . 1 1 20 20 LYS N N 20 121.187 121.187 119.188 1.999 17551 2221 1 4 . 1 1 20 20 LYS HA H 20 4.071 4.071 4.103 -0.032 17551 2222 1 4 . 1 1 20 20 LYS C C 20 179.071 179.071 178.932 0.139 17551 2223 1 4 . 1 1 20 20 LYS CA C 20 57.347 57.347 57.922 -0.575 17551 2224 1 4 . 1 1 20 20 LYS CB C 20 30.633 30.633 32.753 -2.120 17551 2225 1 4 . 1 1 20 20 LYS H H 20 7.718 7.718 7.257 0.461 17551 2226 1 4 . 1 1 21 21 ILE N N 21 109.363 109.363 111.664 -2.301 17551 2227 1 4 . 1 1 21 21 ILE HA H 21 4.212 4.212 3.850 0.362 17551 2228 1 4 . 1 1 21 21 ILE C C 21 176.366 176.366 176.093 0.273 17551 2229 1 4 . 1 1 21 21 ILE CA C 21 61.610 61.610 61.779 -0.169 17551 2230 1 4 . 1 1 21 21 ILE CB C 21 36.968 36.968 37.586 -0.618 17551 2231 1 4 . 1 1 21 21 ILE H H 21 7.591 7.591 7.620 -0.029 17551 2232 1 4 . 1 1 22 22 GLY N N 22 107.961 107.961 108.353 -0.392 17551 2233 1 4 . 1 1 22 22 GLY C C 22 174.877 174.877 174.715 0.162 17551 2234 1 4 . 1 1 22 22 GLY CA C 22 45.510 45.510 44.963 0.547 17551 2235 1 4 . 1 1 22 22 GLY H H 22 7.260 7.260 7.328 -0.068 17551 2236 1 4 . 1 1 23 23 LEU N N 23 120.597 120.597 122.475 -1.878 17551 2237 1 4 . 1 1 23 23 LEU HA H 23 4.207 4.207 4.505 -0.298 17551 2238 1 4 . 1 1 23 23 LEU CA C 23 52.923 52.923 52.504 0.419 17551 2239 1 4 . 1 1 23 23 LEU CB C 23 42.241 42.241 42.751 -0.510 17551 2240 1 4 . 1 1 23 23 LEU H H 23 7.314 7.314 7.911 -0.597 17551 2241 1 4 . 1 1 24 24 PRO HA H 24 4.537 4.537 4.463 0.074 17551 2242 1 4 . 1 1 24 24 PRO C C 24 177.702 177.702 177.207 0.495 17551 2243 1 4 . 1 1 24 24 PRO CA C 24 61.891 61.891 62.398 -0.507 17551 2244 1 4 . 1 1 24 24 PRO CB C 24 32.260 32.260 32.685 -0.425 17551 2245 1 4 . 1 1 25 25 ALA N N 25 123.142 123.142 127.484 -4.342 17551 2246 1 4 . 1 1 25 25 ALA HA H 25 3.935 3.935 4.009 -0.074 17551 2247 1 4 . 1 1 25 25 ALA C C 25 179.461 179.461 179.199 0.262 17551 2248 1 4 . 1 1 25 25 ALA CA C 25 55.314 55.314 55.473 -0.159 17551 2249 1 4 . 1 1 25 25 ALA CB C 25 18.220 18.220 18.400 -0.180 17551 2250 1 4 . 1 1 25 25 ALA H H 25 8.738 8.738 8.719 0.019 17551 2251 1 4 . 1 1 26 26 ASP N N 26 115.440 115.440 117.839 -2.399 17551 2252 1 4 . 1 1 26 26 ASP HA H 26 4.379 4.379 4.367 0.012 17551 2253 1 4 . 1 1 26 26 ASP C C 26 179.291 179.291 178.635 0.656 17551 2254 1 4 . 1 1 26 26 ASP CA C 26 56.015 56.015 57.315 -1.300 17551 2255 1 4 . 1 1 26 26 ASP CB C 26 38.136 38.136 40.091 -1.955 17551 2256 1 4 . 1 1 26 26 ASP H H 26 8.971 8.971 8.806 0.165 17551 2257 1 4 . 1 1 27 27 LYS N N 27 122.292 122.292 118.836 3.456 17551 2258 1 4 . 1 1 27 27 LYS HA H 27 4.160 4.160 4.358 -0.198 17551 2259 1 4 . 1 1 27 27 LYS C C 27 177.758 177.758 178.682 -0.924 17551 2260 1 4 . 1 1 27 27 LYS CA C 27 58.022 58.022 57.127 0.895 17551 2261 1 4 . 1 1 27 27 LYS CB C 27 31.334 31.334 32.539 -1.205 17551 2262 1 4 . 1 1 27 27 LYS H H 27 7.434 7.434 7.636 -0.202 17551 2263 1 4 . 1 1 28 28 ILE N N 28 119.737 119.737 122.001 -2.264 17551 2264 1 4 . 1 1 28 28 ILE HA H 28 3.586 3.586 3.830 -0.244 17551 2265 1 4 . 1 1 28 28 ILE C C 28 180.386 180.386 176.807 3.579 17551 2266 1 4 . 1 1 28 28 ILE CA C 28 65.027 65.027 65.549 -0.522 17551 2267 1 4 . 1 1 28 28 ILE CB C 28 37.002 37.002 38.180 -1.178 17551 2268 1 4 . 1 1 28 28 ILE H H 28 8.016 8.016 8.535 -0.519 17551 2269 1 4 . 1 1 29 29 GLU N N 29 117.216 117.216 115.829 1.387 17551 2270 1 4 . 1 1 29 29 GLU HA H 29 4.294 4.294 4.156 0.138 17551 2271 1 4 . 1 1 29 29 GLU C C 29 179.024 179.024 179.069 -0.045 17551 2272 1 4 . 1 1 29 29 GLU CA C 29 58.139 58.139 58.061 0.078 17551 2273 1 4 . 1 1 29 29 GLU CB C 29 28.028 28.028 29.857 -1.829 17551 2274 1 4 . 1 1 29 29 GLU H H 29 7.755 7.755 8.025 -0.270 17551 2275 1 4 . 1 1 30 30 MET N N 30 119.183 119.183 119.869 -0.686 17551 2276 1 4 . 1 1 30 30 MET HA H 30 4.194 4.194 4.440 -0.246 17551 2277 1 4 . 1 1 30 30 MET C C 30 177.683 177.683 177.581 0.102 17551 2278 1 4 . 1 1 30 30 MET CA C 30 58.150 58.150 57.125 1.025 17551 2279 1 4 . 1 1 30 30 MET CB C 30 33.162 33.162 33.070 0.092 17551 2280 1 4 . 1 1 30 30 MET H H 30 7.659 7.659 7.606 0.053 17551 2281 1 4 . 1 1 31 31 GLY N N 31 102.603 102.603 105.847 -3.244 17551 2282 1 4 . 1 1 31 31 GLY C C 31 172.264 172.264 172.658 -0.394 17551 2283 1 4 . 1 1 31 31 GLY CA C 31 45.433 45.433 44.674 0.759 17551 2284 1 4 . 1 1 31 31 GLY H H 31 7.839 7.839 8.285 -0.446 17551 2285 1 4 . 1 1 32 32 ARG N N 32 121.453 121.453 119.726 1.727 17551 2286 1 4 . 1 1 32 32 ARG HA H 32 3.072 3.072 4.421 -1.349 17551 2287 1 4 . 1 1 32 32 ARG C C 32 175.932 175.932 175.365 0.567 17551 2288 1 4 . 1 1 32 32 ARG CA C 32 56.894 56.894 55.042 1.852 17551 2289 1 4 . 1 1 32 32 ARG CB C 32 29.004 29.004 31.748 -2.744 17551 2290 1 4 . 1 1 32 32 ARG H H 32 6.954 6.954 7.241 -0.287 17551 2291 1 4 . 1 1 33 33 ASN N N 33 127.905 127.905 117.262 10.643 17551 2292 1 4 . 1 1 33 33 ASN HA H 33 4.066 4.066 4.329 -0.263 17551 2293 1 4 . 1 1 33 33 ASN C C 33 173.939 173.939 174.011 -0.072 17551 2294 1 4 . 1 1 33 33 ASN CA C 33 53.539 53.539 54.537 -0.998 17551 2295 1 4 . 1 1 33 33 ASN CB C 33 37.017 37.017 38.315 -1.298 17551 2296 1 4 . 1 1 33 33 ASN H H 33 8.990 8.990 8.526 0.464 17551 2297 1 4 . 1 1 34 34 CYS N N 34 116.649 116.649 114.886 1.763 17551 2298 1 4 . 1 1 34 34 CYS HA H 34 4.018 4.018 4.716 -0.698 17551 2299 1 4 . 1 1 34 34 CYS C C 34 175.384 175.384 174.672 0.712 17551 2300 1 4 . 1 1 34 34 CYS CA C 34 57.216 57.216 56.186 1.030 17551 2301 1 4 . 1 1 34 34 CYS CB C 34 27.200 27.200 30.728 -3.528 17551 2302 1 4 . 1 1 34 34 CYS H H 34 7.443 7.443 7.480 -0.037 17551 2303 1 4 . 1 1 35 35 LYS N N 35 130.727 130.727 121.466 9.261 17551 2304 1 4 . 1 1 35 35 LYS HA H 35 4.296 4.296 4.555 -0.259 17551 2305 1 4 . 1 1 35 35 LYS C C 35 175.272 175.272 175.329 -0.057 17551 2306 1 4 . 1 1 35 35 LYS CA C 35 55.577 55.577 55.532 0.045 17551 2307 1 4 . 1 1 35 35 LYS CB C 35 29.487 29.487 31.342 -1.855 17551 2308 1 4 . 1 1 35 35 LYS H H 35 8.691 8.691 8.364 0.327 17551 2309 1 4 . 1 1 36 36 ILE N N 36 125.658 125.658 125.308 0.350 17551 2310 1 4 . 1 1 36 36 ILE HA H 36 4.010 4.010 4.659 -0.649 17551 2311 1 4 . 1 1 36 36 ILE C C 36 177.115 177.115 175.894 1.221 17551 2312 1 4 . 1 1 36 36 ILE CA C 36 62.608 62.608 58.628 3.980 17551 2313 1 4 . 1 1 36 36 ILE CB C 36 39.739 39.739 37.754 1.985 17551 2314 1 4 . 1 1 36 36 ILE H H 36 7.658 7.658 7.943 -0.285 17551 2315 1 4 . 1 1 37 37 VAL N N 37 130.730 130.730 129.577 1.153 17551 2316 1 4 . 1 1 37 37 VAL HA H 37 5.105 5.105 5.171 -0.066 17551 2317 1 4 . 1 1 37 37 VAL C C 37 175.295 175.295 176.105 -0.810 17551 2318 1 4 . 1 1 37 37 VAL CA C 37 60.845 60.845 61.074 -0.229 17551 2319 1 4 . 1 1 37 37 VAL CB C 37 33.716 33.716 33.577 0.139 17551 2320 1 4 . 1 1 37 37 VAL H H 37 7.909 7.909 8.260 -0.351 17551 2321 1 4 . 1 1 38 38 THR N N 38 127.066 127.066 125.064 2.002 17551 2322 1 4 . 1 1 38 38 THR HA H 38 5.405 5.405 5.397 0.008 17551 2323 1 4 . 1 1 38 38 THR C C 38 174.035 174.035 174.110 -0.075 17551 2324 1 4 . 1 1 38 38 THR CA C 38 61.303 61.303 61.387 -0.084 17551 2325 1 4 . 1 1 38 38 THR CB C 38 70.474 70.474 69.389 1.085 17551 2326 1 4 . 1 1 38 38 THR H H 38 9.393 9.393 8.989 0.404 17551 2327 1 4 . 1 1 39 39 GLU N N 39 126.804 126.804 128.862 -2.058 17551 2328 1 4 . 1 1 39 39 GLU HA H 39 5.216 5.216 4.707 0.509 17551 2329 1 4 . 1 1 39 39 GLU C C 39 174.379 174.379 174.719 -0.340 17551 2330 1 4 . 1 1 39 39 GLU CA C 39 54.232 54.232 55.608 -1.376 17551 2331 1 4 . 1 1 39 39 GLU CB C 39 32.531 32.531 31.024 1.506 17551 2332 1 4 . 1 1 39 39 GLU H H 39 9.728 9.728 8.824 0.904 17551 2333 1 4 . 1 1 40 40 VAL N N 40 125.405 125.405 125.463 -0.058 17551 2334 1 4 . 1 1 40 40 VAL HA H 40 4.859 4.859 5.462 -0.603 17551 2335 1 4 . 1 1 40 40 VAL C C 40 176.139 176.139 175.467 0.672 17551 2336 1 4 . 1 1 40 40 VAL CA C 40 60.091 60.091 59.745 0.346 17551 2337 1 4 . 1 1 40 40 VAL CB C 40 33.952 33.952 33.756 0.196 17551 2338 1 4 . 1 1 40 40 VAL H H 40 9.326 9.326 8.874 0.452 17551 2339 1 4 . 1 1 41 41 VAL N N 41 127.197 127.197 127.476 -0.279 17551 2340 1 4 . 1 1 41 41 VAL HA H 41 4.144 4.144 4.398 -0.254 17551 2341 1 4 . 1 1 41 41 VAL C C 41 173.604 173.604 174.377 -0.773 17551 2342 1 4 . 1 1 41 41 VAL CA C 41 62.522 62.522 60.156 2.366 17551 2343 1 4 . 1 1 41 41 VAL CB C 41 33.757 33.757 34.047 -0.291 17551 2344 1 4 . 1 1 41 41 VAL H H 41 8.811 8.811 8.487 0.324 17551 2345 1 4 . 1 1 42 42 GLN N N 42 130.317 130.317 127.762 2.555 17551 2346 1 4 . 1 1 42 42 GLN HA H 42 4.430 4.430 4.149 0.281 17551 2347 1 4 . 1 1 42 42 GLN C C 42 174.239 174.239 174.683 -0.444 17551 2348 1 4 . 1 1 42 42 GLN CA C 42 52.960 52.960 56.203 -3.243 17551 2349 1 4 . 1 1 42 42 GLN CB C 42 29.877 29.877 29.314 0.563 17551 2350 1 4 . 1 1 42 42 GLN H H 42 8.345 8.345 8.541 -0.196 17551 2351 1 4 . 1 1 43 43 ASN N N 43 125.513 125.513 125.523 -0.010 17551 2352 1 4 . 1 1 43 43 ASN HA H 43 4.826 4.826 4.690 0.136 17551 2353 1 4 . 1 1 43 43 ASN C C 43 175.350 175.350 175.041 0.309 17551 2354 1 4 . 1 1 43 43 ASN CA C 43 51.303 51.303 52.936 -1.633 17551 2355 1 4 . 1 1 43 43 ASN CB C 43 39.051 39.051 39.084 -0.033 17551 2356 1 4 . 1 1 43 43 ASN H H 43 8.772 8.772 8.310 0.462 17551 2357 1 4 . 1 1 44 44 GLY N N 44 115.694 115.694 112.885 2.809 17551 2358 1 4 . 1 1 44 44 GLY C C 44 173.199 173.199 174.251 -1.052 17551 2359 1 4 . 1 1 44 44 GLY CA C 44 46.964 46.964 46.423 0.541 17551 2360 1 4 . 1 1 44 44 GLY H H 44 9.187 9.187 8.478 0.709 17551 2361 1 4 . 1 1 45 45 ASN N N 45 125.520 125.520 123.091 2.429 17551 2362 1 4 . 1 1 45 45 ASN HA H 45 4.991 4.991 4.818 0.173 17551 2363 1 4 . 1 1 45 45 ASN C C 45 173.822 173.822 172.679 1.143 17551 2364 1 4 . 1 1 45 45 ASN CA C 45 52.215 52.215 52.406 -0.191 17551 2365 1 4 . 1 1 45 45 ASN CB C 45 38.700 38.700 40.813 -2.113 17551 2366 1 4 . 1 1 45 45 ASN H H 45 8.854 8.854 8.191 0.663 17551 2367 1 4 . 1 1 46 46 ASP N N 46 120.842 120.842 121.084 -0.242 17551 2368 1 4 . 1 1 46 46 ASP HA H 46 5.185 5.185 5.165 0.020 17551 2369 1 4 . 1 1 46 46 ASP C C 46 174.705 174.705 175.115 -0.410 17551 2370 1 4 . 1 1 46 46 ASP CA C 46 53.658 53.658 52.830 0.829 17551 2371 1 4 . 1 1 46 46 ASP CB C 46 41.025 41.025 41.565 -0.540 17551 2372 1 4 . 1 1 46 46 ASP H H 46 7.921 7.921 7.564 0.357 17551 2373 1 4 . 1 1 47 47 PHE N N 47 121.470 121.470 126.379 -4.909 17551 2374 1 4 . 1 1 47 47 PHE HA H 47 5.161 5.161 4.906 0.255 17551 2375 1 4 . 1 1 47 47 PHE C C 47 177.125 177.125 175.931 1.194 17551 2376 1 4 . 1 1 47 47 PHE CA C 47 56.591 56.591 56.201 0.390 17551 2377 1 4 . 1 1 47 47 PHE CB C 47 44.035 44.035 41.054 2.981 17551 2378 1 4 . 1 1 47 47 PHE H H 47 9.263 9.263 8.557 0.706 17551 2379 1 4 . 1 1 48 48 THR N N 48 116.950 116.950 114.780 2.170 17551 2380 1 4 . 1 1 48 48 THR HA H 48 4.861 4.861 4.584 0.277 17551 2381 1 4 . 1 1 48 48 THR C C 48 172.499 172.499 173.851 -1.352 17551 2382 1 4 . 1 1 48 48 THR CA C 48 62.943 62.943 61.483 1.460 17551 2383 1 4 . 1 1 48 48 THR CB C 48 70.360 70.360 69.388 0.972 17551 2384 1 4 . 1 1 48 48 THR H H 48 8.831 8.831 8.314 0.517 17551 2385 1 4 . 1 1 49 49 TRP N N 49 132.266 132.266 128.464 3.802 17551 2386 1 4 . 1 1 49 49 TRP HA H 49 4.955 4.955 5.013 -0.058 17551 2387 1 4 . 1 1 49 49 TRP C C 49 175.842 175.842 174.866 0.976 17551 2388 1 4 . 1 1 49 49 TRP CA C 49 57.286 57.286 56.214 1.072 17551 2389 1 4 . 1 1 49 49 TRP CB C 49 31.894 31.894 31.756 0.138 17551 2390 1 4 . 1 1 49 49 TRP H H 49 9.914 9.914 9.455 0.459 17551 2391 1 4 . 1 1 50 50 THR N N 50 131.707 131.707 123.682 8.025 17551 2392 1 4 . 1 1 50 50 THR HA H 50 5.928 5.928 4.823 1.105 17551 2393 1 4 . 1 1 50 50 THR C C 50 173.408 173.408 173.125 0.283 17551 2394 1 4 . 1 1 50 50 THR CA C 50 60.993 60.993 61.587 -0.594 17551 2395 1 4 . 1 1 50 50 THR CB C 50 70.957 70.957 70.035 0.922 17551 2396 1 4 . 1 1 50 50 THR H H 50 9.524 9.524 8.435 1.089 17551 2397 1 4 . 1 1 51 51 GLN N N 51 124.680 124.680 126.740 -2.060 17551 2398 1 4 . 1 1 51 51 GLN HA H 51 5.056 5.056 5.036 0.020 17551 2399 1 4 . 1 1 51 51 GLN C C 51 175.328 175.328 174.808 0.520 17551 2400 1 4 . 1 1 51 51 GLN CA C 51 56.309 56.309 54.468 1.841 17551 2401 1 4 . 1 1 51 51 GLN CB C 51 29.046 29.046 30.338 -1.292 17551 2402 1 4 . 1 1 51 51 GLN H H 51 9.456 9.456 9.222 0.234 17551 2403 1 4 . 1 1 52 52 HIS N N 52 122.268 122.268 124.787 -2.519 17551 2404 1 4 . 1 1 52 52 HIS HA H 52 5.051 5.051 4.963 0.088 17551 2405 1 4 . 1 1 52 52 HIS C C 52 174.819 174.819 174.251 0.568 17551 2406 1 4 . 1 1 52 52 HIS CA C 52 54.039 54.039 54.980 -0.941 17551 2407 1 4 . 1 1 52 52 HIS CB C 52 29.432 29.432 31.904 -2.471 17551 2408 1 4 . 1 1 52 52 HIS H H 52 9.534 9.534 8.945 0.589 17551 2409 1 4 . 1 1 53 53 PHE N N 53 129.837 129.837 125.307 4.530 17551 2410 1 4 . 1 1 53 53 PHE HA H 53 4.584 4.584 4.962 -0.378 17551 2411 1 4 . 1 1 53 53 PHE CA C 53 56.312 56.312 53.160 3.152 17551 2412 1 4 . 1 1 53 53 PHE CB C 53 40.660 40.660 41.776 -1.116 17551 2413 1 4 . 1 1 53 53 PHE H H 53 8.641 8.641 9.019 -0.378 17551 2414 1 4 . 1 1 54 54 PRO HA H 54 4.291 4.291 4.373 -0.082 17551 2415 1 4 . 1 1 54 54 PRO C C 54 177.389 177.389 176.612 0.777 17551 2416 1 4 . 1 1 54 54 PRO CA C 54 63.569 63.569 63.538 0.031 17551 2417 1 4 . 1 1 54 54 PRO CB C 54 30.471 30.471 31.048 -0.577 17551 2418 1 4 . 1 1 55 55 GLY N N 55 113.867 113.867 113.098 0.769 17551 2419 1 4 . 1 1 55 55 GLY C C 55 175.164 175.164 173.991 1.173 17551 2420 1 4 . 1 1 55 55 GLY CA C 55 45.258 45.258 45.050 0.208 17551 2421 1 4 . 1 1 55 55 GLY H H 55 8.926 8.926 8.538 0.388 17551 2422 1 4 . 1 1 56 56 GLY N N 56 108.877 108.877 107.941 0.936 17551 2423 1 4 . 1 1 56 56 GLY C C 56 174.054 174.054 172.638 1.416 17551 2424 1 4 . 1 1 56 56 GLY CA C 56 44.534 44.534 44.828 -0.294 17551 2425 1 4 . 1 1 56 56 GLY H H 56 8.426 8.426 7.707 0.719 17551 2426 1 4 . 1 1 57 57 ARG N N 57 123.871 123.871 119.178 4.693 17551 2427 1 4 . 1 1 57 57 ARG HA H 57 4.483 4.483 4.528 -0.045 17551 2428 1 4 . 1 1 57 57 ARG C C 57 176.728 176.728 175.889 0.839 17551 2429 1 4 . 1 1 57 57 ARG CA C 57 56.217 56.217 56.275 -0.058 17551 2430 1 4 . 1 1 57 57 ARG CB C 57 31.388 31.388 30.784 0.604 17551 2431 1 4 . 1 1 57 57 ARG H H 57 8.474 8.474 8.481 -0.007 17551 2432 1 4 . 1 1 58 58 THR N N 58 122.156 122.156 116.156 6.000 17551 2433 1 4 . 1 1 58 58 THR HA H 58 5.299 5.299 4.849 0.450 17551 2434 1 4 . 1 1 58 58 THR C C 58 174.092 174.092 174.575 -0.483 17551 2435 1 4 . 1 1 58 58 THR CA C 58 62.125 62.125 61.092 1.033 17551 2436 1 4 . 1 1 58 58 THR CB C 58 70.339 70.339 70.687 -0.348 17551 2437 1 4 . 1 1 58 58 THR H H 58 8.818 8.818 8.352 0.466 17551 2438 1 4 . 1 1 59 59 THR N N 59 127.287 127.287 122.244 5.043 17551 2439 1 4 . 1 1 59 59 THR HA H 59 4.505 4.505 4.638 -0.133 17551 2440 1 4 . 1 1 59 59 THR C C 59 172.626 172.626 172.898 -0.272 17551 2441 1 4 . 1 1 59 59 THR CA C 59 62.163 62.163 61.758 0.405 17551 2442 1 4 . 1 1 59 59 THR CB C 59 70.565 70.565 72.138 -1.573 17551 2443 1 4 . 1 1 59 59 THR H H 59 9.281 9.281 8.574 0.707 17551 2444 1 4 . 1 1 60 60 THR N N 60 123.658 123.658 121.466 2.192 17551 2445 1 4 . 1 1 60 60 THR HA H 60 5.105 5.105 5.202 -0.097 17551 2446 1 4 . 1 1 60 60 THR C C 60 172.453 172.453 173.292 -0.839 17551 2447 1 4 . 1 1 60 60 THR CA C 60 61.277 61.277 61.455 -0.178 17551 2448 1 4 . 1 1 60 60 THR CB C 60 70.432 70.432 70.981 -0.549 17551 2449 1 4 . 1 1 60 60 THR H H 60 8.952 8.952 8.483 0.469 17551 2450 1 4 . 1 1 61 61 ASN N N 61 124.292 124.292 125.651 -1.359 17551 2451 1 4 . 1 1 61 61 ASN HA H 61 5.384 5.384 5.132 0.252 17551 2452 1 4 . 1 1 61 61 ASN C C 61 173.609 173.609 174.094 -0.485 17551 2453 1 4 . 1 1 61 61 ASN CA C 61 52.190 52.190 52.703 -0.513 17551 2454 1 4 . 1 1 61 61 ASN CB C 61 43.987 43.987 42.492 1.495 17551 2455 1 4 . 1 1 61 61 ASN H H 61 8.848 8.848 9.154 -0.306 17551 2456 1 4 . 1 1 62 62 SER N N 62 118.046 118.046 118.993 -0.947 17551 2457 1 4 . 1 1 62 62 SER HA H 62 5.659 5.659 5.475 0.184 17551 2458 1 4 . 1 1 62 62 SER C C 62 172.545 172.545 173.070 -0.525 17551 2459 1 4 . 1 1 62 62 SER CA C 62 56.974 56.974 57.918 -0.944 17551 2460 1 4 . 1 1 62 62 SER CB C 62 64.719 64.719 65.103 -0.384 17551 2461 1 4 . 1 1 62 62 SER H H 62 8.986 8.986 8.871 0.115 17551 2462 1 4 . 1 1 63 63 PHE N N 63 118.769 118.769 121.648 -2.879 17551 2463 1 4 . 1 1 63 63 PHE HA H 63 5.016 5.016 5.003 0.013 17551 2464 1 4 . 1 1 63 63 PHE C C 63 172.500 172.500 173.499 -0.999 17551 2465 1 4 . 1 1 63 63 PHE CA C 63 55.793 55.793 55.903 -0.110 17551 2466 1 4 . 1 1 63 63 PHE CB C 63 39.459 39.459 41.385 -1.926 17551 2467 1 4 . 1 1 63 63 PHE H H 63 8.514 8.514 8.673 -0.159 17551 2468 1 4 . 1 1 64 64 THR N N 64 120.318 120.318 118.712 1.606 17551 2469 1 4 . 1 1 64 64 THR HA H 64 5.617 5.617 4.990 0.627 17551 2470 1 4 . 1 1 64 64 THR C C 64 175.240 175.240 174.683 0.557 17551 2471 1 4 . 1 1 64 64 THR CA C 64 60.409 60.409 61.991 -1.582 17551 2472 1 4 . 1 1 64 64 THR CB C 64 71.213 71.213 70.379 0.834 17551 2473 1 4 . 1 1 64 64 THR H H 64 9.743 9.743 8.663 1.080 17551 2474 1 4 . 1 1 65 65 ILE N N 65 127.640 127.640 127.344 0.296 17551 2475 1 4 . 1 1 65 65 ILE HA H 65 4.089 4.089 3.995 0.094 17551 2476 1 4 . 1 1 65 65 ILE C C 65 176.477 176.477 177.639 -1.162 17551 2477 1 4 . 1 1 65 65 ILE CA C 65 59.299 59.299 61.659 -2.360 17551 2478 1 4 . 1 1 65 65 ILE CB C 65 35.445 35.445 36.228 -0.783 17551 2479 1 4 . 1 1 65 65 ILE H H 65 8.961 8.961 8.912 0.049 17551 2480 1 4 . 1 1 66 66 ASP N N 66 117.361 117.361 124.803 -7.442 17551 2481 1 4 . 1 1 66 66 ASP HA H 66 4.080 4.080 4.221 -0.141 17551 2482 1 4 . 1 1 66 66 ASP C C 66 174.730 174.730 174.400 0.330 17551 2483 1 4 . 1 1 66 66 ASP CA C 66 57.150 57.150 55.891 1.259 17551 2484 1 4 . 1 1 66 66 ASP CB C 66 38.442 38.442 40.669 -2.227 17551 2485 1 4 . 1 1 66 66 ASP H H 66 9.264 9.264 9.367 -0.103 17551 2486 1 4 . 1 1 67 67 LYS N N 67 121.171 121.171 119.072 2.099 17551 2487 1 4 . 1 1 67 67 LYS HA H 67 4.805 4.805 4.607 0.198 17551 2488 1 4 . 1 1 67 67 LYS C C 67 175.115 175.115 174.504 0.611 17551 2489 1 4 . 1 1 67 67 LYS CA C 67 53.900 53.900 54.485 -0.585 17551 2490 1 4 . 1 1 67 67 LYS CB C 67 34.256 34.256 35.627 -1.371 17551 2491 1 4 . 1 1 67 67 LYS H H 67 8.185 8.185 7.787 0.398 17551 2492 1 4 . 1 1 68 68 GLU N N 68 130.373 130.373 127.214 3.159 17551 2493 1 4 . 1 1 68 68 GLU HA H 68 4.194 4.194 4.485 -0.291 17551 2494 1 4 . 1 1 68 68 GLU C C 68 175.449 175.449 175.579 -0.130 17551 2495 1 4 . 1 1 68 68 GLU CA C 68 58.343 58.343 56.408 1.935 17551 2496 1 4 . 1 1 68 68 GLU H H 68 8.879 8.879 8.783 0.096 17551 2497 1 4 . 1 1 69 69 ALA N N 69 130.113 130.113 130.565 -0.452 17551 2498 1 4 . 1 1 69 69 ALA HA H 69 4.924 4.924 4.760 0.164 17551 2499 1 4 . 1 1 69 69 ALA C C 69 175.797 175.797 175.726 0.071 17551 2500 1 4 . 1 1 69 69 ALA CA C 69 50.151 50.151 50.438 -0.287 17551 2501 1 4 . 1 1 69 69 ALA CB C 69 22.239 22.239 22.380 -0.141 17551 2502 1 4 . 1 1 69 69 ALA H H 69 8.864 8.864 9.023 -0.159 17551 2503 1 4 . 1 1 70 70 ASP N N 70 120.889 120.889 121.465 -0.576 17551 2504 1 4 . 1 1 70 70 ASP HA H 70 4.852 4.852 4.961 -0.109 17551 2505 1 4 . 1 1 70 70 ASP C C 70 175.541 175.541 175.291 0.250 17551 2506 1 4 . 1 1 70 70 ASP CA C 70 54.211 54.211 54.865 -0.654 17551 2507 1 4 . 1 1 70 70 ASP CB C 70 41.052 41.052 41.284 -0.232 17551 2508 1 4 . 1 1 70 70 ASP H H 70 8.319 8.319 8.667 -0.348 17551 2509 1 4 . 1 1 71 71 MET N N 71 125.005 125.005 121.883 3.122 17551 2510 1 4 . 1 1 71 71 MET HA H 71 4.743 4.743 4.851 -0.108 17551 2511 1 4 . 1 1 71 71 MET C C 71 174.047 174.047 173.945 0.102 17551 2512 1 4 . 1 1 71 71 MET CA C 71 54.265 54.265 53.759 0.506 17551 2513 1 4 . 1 1 71 71 MET CB C 71 39.844 39.844 37.565 2.279 17551 2514 1 4 . 1 1 71 71 MET H H 71 8.796 8.796 8.531 0.265 17551 2515 1 4 . 1 1 72 72 GLU N N 72 118.909 118.909 119.940 -1.031 17551 2516 1 4 . 1 1 72 72 GLU HA H 72 5.613 5.613 5.494 0.119 17551 2517 1 4 . 1 1 72 72 GLU C C 72 176.109 176.109 175.376 0.733 17551 2518 1 4 . 1 1 72 72 GLU CA C 72 53.790 53.790 54.345 -0.555 17551 2519 1 4 . 1 1 72 72 GLU CB C 72 33.986 33.986 33.788 0.198 17551 2520 1 4 . 1 1 72 72 GLU H H 72 9.225 9.225 8.420 0.805 17551 2521 1 4 . 1 1 73 73 THR N N 73 109.667 109.667 116.437 -6.770 17551 2522 1 4 . 1 1 73 73 THR HA H 73 4.538 4.538 4.678 -0.140 17551 2523 1 4 . 1 1 73 73 THR C C 73 176.660 176.660 176.166 0.494 17551 2524 1 4 . 1 1 73 73 THR CA C 73 59.666 59.666 60.099 -0.433 17551 2525 1 4 . 1 1 73 73 THR CB C 73 69.710 69.710 70.587 -0.877 17551 2526 1 4 . 1 1 73 73 THR H H 73 8.904 8.904 8.413 0.491 17551 2527 1 4 . 1 1 74 74 MET N N 74 117.519 117.519 118.790 -1.271 17551 2528 1 4 . 1 1 74 74 MET HA H 74 4.776 4.776 4.317 0.459 17551 2529 1 4 . 1 1 74 74 MET C C 74 176.641 176.641 176.636 0.005 17551 2530 1 4 . 1 1 74 74 MET CA C 74 58.631 58.631 57.315 1.316 17551 2531 1 4 . 1 1 74 74 MET H H 74 8.206 8.206 8.517 -0.311 17551 2532 1 4 . 1 1 75 75 GLY N N 75 103.810 103.810 103.630 0.180 17551 2533 1 4 . 1 1 75 75 GLY C C 75 173.956 173.956 175.349 -1.393 17551 2534 1 4 . 1 1 75 75 GLY CA C 75 43.728 43.728 44.762 -1.034 17551 2535 1 4 . 1 1 75 75 GLY H H 75 8.067 8.067 7.568 0.499 17551 2536 1 4 . 1 1 76 76 GLY N N 76 108.498 108.498 109.084 -0.586 17551 2537 1 4 . 1 1 76 76 GLY C C 76 173.267 173.267 174.595 -1.328 17551 2538 1 4 . 1 1 76 76 GLY CA C 76 44.563 44.563 44.779 -0.216 17551 2539 1 4 . 1 1 76 76 GLY H H 76 7.702 7.702 7.627 0.075 17551 2540 1 4 . 1 1 77 77 ARG N N 77 121.161 121.161 121.063 0.098 17551 2541 1 4 . 1 1 77 77 ARG HA H 77 4.348 4.348 4.387 -0.039 17551 2542 1 4 . 1 1 77 77 ARG C C 77 176.083 176.083 175.731 0.352 17551 2543 1 4 . 1 1 77 77 ARG CA C 77 55.350 55.350 55.582 -0.232 17551 2544 1 4 . 1 1 77 77 ARG CB C 77 30.904 30.904 30.995 -0.092 17551 2545 1 4 . 1 1 77 77 ARG H H 77 7.328 7.328 7.684 -0.356 17551 2546 1 4 . 1 1 78 78 LYS N N 78 126.790 126.790 125.203 1.587 17551 2547 1 4 . 1 1 78 78 LYS HA H 78 5.147 5.147 4.754 0.393 17551 2548 1 4 . 1 1 78 78 LYS C C 78 176.961 176.961 176.106 0.855 17551 2549 1 4 . 1 1 78 78 LYS CA C 78 55.487 55.487 55.453 0.034 17551 2550 1 4 . 1 1 78 78 LYS CB C 78 32.769 32.769 32.694 0.075 17551 2551 1 4 . 1 1 78 78 LYS H H 78 8.771 8.771 8.644 0.127 17551 2552 1 4 . 1 1 79 79 PHE N N 79 119.480 119.480 122.079 -2.599 17551 2553 1 4 . 1 1 79 79 PHE HA H 79 4.898 4.898 4.992 -0.094 17551 2554 1 4 . 1 1 79 79 PHE C C 79 171.587 171.587 173.281 -1.694 17551 2555 1 4 . 1 1 79 79 PHE CA C 79 55.817 55.817 56.588 -0.771 17551 2556 1 4 . 1 1 79 79 PHE CB C 79 40.702 40.702 41.093 -0.390 17551 2557 1 4 . 1 1 79 79 PHE H H 79 8.794 8.794 8.535 0.259 17551 2558 1 4 . 1 1 80 80 LYS N N 80 119.760 119.760 119.309 0.451 17551 2559 1 4 . 1 1 80 80 LYS HA H 80 5.460 5.460 5.399 0.061 17551 2560 1 4 . 1 1 80 80 LYS C C 80 176.538 176.538 175.434 1.104 17551 2561 1 4 . 1 1 80 80 LYS CA C 80 53.988 53.988 55.178 -1.190 17551 2562 1 4 . 1 1 80 80 LYS CB C 80 35.754 35.754 36.239 -0.485 17551 2563 1 4 . 1 1 80 80 LYS H H 80 8.414 8.414 8.440 -0.026 17551 2564 1 4 . 1 1 81 81 ALA N N 81 121.171 121.171 125.442 -4.271 17551 2565 1 4 . 1 1 81 81 ALA HA H 81 4.738 4.738 4.624 0.114 17551 2566 1 4 . 1 1 81 81 ALA C C 81 175.290 175.290 174.916 0.374 17551 2567 1 4 . 1 1 81 81 ALA CA C 81 51.262 51.262 51.390 -0.128 17551 2568 1 4 . 1 1 81 81 ALA CB C 81 22.568 22.568 22.058 0.510 17551 2569 1 4 . 1 1 81 81 ALA H H 81 8.525 8.525 8.793 -0.268 17551 2570 1 4 . 1 1 82 82 THR N N 82 117.970 117.970 117.094 0.876 17551 2571 1 4 . 1 1 82 82 THR HA H 82 4.292 4.292 4.664 -0.372 17551 2572 1 4 . 1 1 82 82 THR C C 82 172.556 172.556 174.080 -1.524 17551 2573 1 4 . 1 1 82 82 THR CA C 82 61.640 61.640 61.796 -0.156 17551 2574 1 4 . 1 1 82 82 THR CB C 82 68.485 68.485 68.994 -0.509 17551 2575 1 4 . 1 1 82 82 THR H H 82 8.448 8.448 8.478 -0.030 17551 2576 1 4 . 1 1 83 83 VAL N N 83 131.564 131.564 126.470 5.094 17551 2577 1 4 . 1 1 83 83 VAL HA H 83 3.784 3.784 4.546 -0.762 17551 2578 1 4 . 1 1 83 83 VAL C C 83 174.167 174.167 174.855 -0.688 17551 2579 1 4 . 1 1 83 83 VAL CA C 83 62.059 62.059 60.958 1.101 17551 2580 1 4 . 1 1 83 83 VAL CB C 83 31.076 31.076 33.240 -2.164 17551 2581 1 4 . 1 1 83 83 VAL H H 83 9.722 9.722 7.905 1.817 17551 2582 1 4 . 1 1 84 84 LYS N N 84 125.930 125.930 124.521 1.409 17551 2583 1 4 . 1 1 84 84 LYS HA H 84 4.851 4.851 4.782 0.069 17551 2584 1 4 . 1 1 84 84 LYS C C 84 175.025 175.025 174.342 0.683 17551 2585 1 4 . 1 1 84 84 LYS CA C 84 54.213 54.213 54.255 -0.042 17551 2586 1 4 . 1 1 84 84 LYS CB C 84 35.076 35.076 35.489 -0.413 17551 2587 1 4 . 1 1 84 84 LYS H H 84 8.541 8.541 9.192 -0.651 17551 2588 1 4 . 1 1 85 85 MET N N 85 119.366 119.366 119.923 -0.557 17551 2589 1 4 . 1 1 85 85 MET HA H 85 5.517 5.517 5.068 0.449 17551 2590 1 4 . 1 1 85 85 MET C C 85 175.698 175.698 175.338 0.360 17551 2591 1 4 . 1 1 85 85 MET CA C 85 54.256 54.256 54.845 -0.589 17551 2592 1 4 . 1 1 85 85 MET CB C 85 35.406 35.406 36.364 -0.958 17551 2593 1 4 . 1 1 85 85 MET H H 85 8.992 8.992 8.475 0.517 17551 2594 1 4 . 1 1 86 86 GLU N N 86 125.741 125.741 123.353 2.388 17551 2595 1 4 . 1 1 86 86 GLU HA H 86 4.654 4.654 4.617 0.037 17551 2596 1 4 . 1 1 86 86 GLU C C 86 177.223 177.223 176.696 0.527 17551 2597 1 4 . 1 1 86 86 GLU CA C 86 54.213 54.213 54.896 -0.683 17551 2598 1 4 . 1 1 86 86 GLU CB C 86 31.578 31.578 29.075 2.503 17551 2599 1 4 . 1 1 86 86 GLU H H 86 9.063 9.063 9.206 -0.143 17551 2600 1 4 . 1 1 87 87 GLY N N 87 117.720 117.720 112.815 4.905 17551 2601 1 4 . 1 1 87 87 GLY C C 87 175.275 175.275 175.227 0.048 17551 2602 1 4 . 1 1 87 87 GLY CA C 87 46.902 46.902 44.968 1.934 17551 2603 1 4 . 1 1 87 87 GLY H H 87 9.300 9.300 8.828 0.472 17551 2604 1 4 . 1 1 88 88 GLY N N 88 109.070 109.070 105.290 3.780 17551 2605 1 4 . 1 1 88 88 GLY C C 88 172.863 172.863 173.110 -0.247 17551 2606 1 4 . 1 1 88 88 GLY CA C 88 44.853 44.853 45.194 -0.341 17551 2607 1 4 . 1 1 88 88 GLY H H 88 8.739 8.739 8.633 0.106 17551 2608 1 4 . 1 1 89 89 LYS N N 89 120.150 120.150 118.717 1.433 17551 2609 1 4 . 1 1 89 89 LYS HA H 89 5.113 5.113 5.213 -0.100 17551 2610 1 4 . 1 1 89 89 LYS C C 89 175.487 175.487 175.683 -0.196 17551 2611 1 4 . 1 1 89 89 LYS CA C 89 54.363 54.363 54.473 -0.110 17551 2612 1 4 . 1 1 89 89 LYS CB C 89 33.753 33.753 34.445 -0.692 17551 2613 1 4 . 1 1 89 89 LYS H H 89 7.853 7.853 7.618 0.235 17551 2614 1 4 . 1 1 90 90 ILE N N 90 124.537 124.537 126.753 -2.216 17551 2615 1 4 . 1 1 90 90 ILE HA H 90 4.489 4.489 4.249 0.240 17551 2616 1 4 . 1 1 90 90 ILE C C 90 175.679 175.679 175.063 0.616 17551 2617 1 4 . 1 1 90 90 ILE CA C 90 60.930 60.930 61.782 -0.852 17551 2618 1 4 . 1 1 90 90 ILE CB C 90 38.367 38.367 37.496 0.871 17551 2619 1 4 . 1 1 90 90 ILE H H 90 9.081 9.081 8.522 0.559 17551 2620 1 4 . 1 1 91 91 VAL N N 91 124.871 124.871 128.433 -3.562 17551 2621 1 4 . 1 1 91 91 VAL HA H 91 4.591 4.591 5.015 -0.424 17551 2622 1 4 . 1 1 91 91 VAL C C 91 173.890 173.890 173.302 0.588 17551 2623 1 4 . 1 1 91 91 VAL CA C 91 60.743 60.743 59.003 1.740 17551 2624 1 4 . 1 1 91 91 VAL CB C 91 35.279 35.279 35.377 -0.098 17551 2625 1 4 . 1 1 91 91 VAL H H 91 8.786 8.786 8.722 0.064 17551 2626 1 4 . 1 1 92 92 ALA N N 92 129.590 129.590 130.394 -0.804 17551 2627 1 4 . 1 1 92 92 ALA HA H 92 4.563 4.563 4.670 -0.107 17551 2628 1 4 . 1 1 92 92 ALA C C 92 173.855 173.855 174.830 -0.975 17551 2629 1 4 . 1 1 92 92 ALA CA C 92 49.864 49.864 49.761 0.103 17551 2630 1 4 . 1 1 92 92 ALA CB C 92 21.948 21.948 22.531 -0.583 17551 2631 1 4 . 1 1 92 92 ALA H H 92 9.228 9.228 9.076 0.152 17551 2632 1 4 . 1 1 93 93 ASP N N 93 121.654 121.654 122.851 -1.197 17551 2633 1 4 . 1 1 93 93 ASP HA H 93 5.342 5.342 4.869 0.473 17551 2634 1 4 . 1 1 93 93 ASP C C 93 173.521 173.521 174.509 -0.988 17551 2635 1 4 . 1 1 93 93 ASP CA C 93 53.658 53.658 53.390 0.268 17551 2636 1 4 . 1 1 93 93 ASP CB C 93 44.462 44.462 42.516 1.946 17551 2637 1 4 . 1 1 93 93 ASP H H 93 8.326 8.326 7.771 0.555 17551 2638 1 4 . 1 1 94 94 PHE N N 94 122.296 122.296 123.118 -0.822 17551 2639 1 4 . 1 1 94 94 PHE HA H 94 5.024 5.024 4.860 0.164 17551 2640 1 4 . 1 1 94 94 PHE CA C 94 53.952 53.952 55.340 -1.388 17551 2641 1 4 . 1 1 94 94 PHE CB C 94 38.958 38.958 42.381 -3.423 17551 2642 1 4 . 1 1 94 94 PHE H H 94 8.776 8.776 8.164 0.612 17551 2643 1 4 . 1 1 95 95 PRO HA H 95 4.396 4.396 4.420 -0.024 17551 2644 1 4 . 1 1 95 95 PRO C C 95 177.375 177.375 176.631 0.744 17551 2645 1 4 . 1 1 95 95 PRO CA C 95 64.386 64.386 64.170 0.216 17551 2646 1 4 . 1 1 95 95 PRO CB C 95 30.432 30.432 31.224 -0.792 17551 2647 1 4 . 1 1 96 96 ASN N N 96 120.924 120.924 118.145 2.779 17551 2648 1 4 . 1 1 96 96 ASN HA H 96 4.619 4.619 4.401 0.218 17551 2649 1 4 . 1 1 96 96 ASN C C 96 174.189 174.189 173.648 0.541 17551 2650 1 4 . 1 1 96 96 ASN CA C 96 53.442 53.442 54.722 -1.280 17551 2651 1 4 . 1 1 96 96 ASN CB C 96 38.069 38.069 37.823 0.246 17551 2652 1 4 . 1 1 96 96 ASN H H 96 9.183 9.183 8.980 0.203 17551 2653 1 4 . 1 1 97 97 TYR N N 97 120.943 120.943 119.128 1.815 17551 2654 1 4 . 1 1 97 97 TYR HA H 97 4.804 4.804 5.743 -0.939 17551 2655 1 4 . 1 1 97 97 TYR C C 97 172.713 172.713 173.671 -0.958 17551 2656 1 4 . 1 1 97 97 TYR CA C 97 59.314 59.314 56.737 2.576 17551 2657 1 4 . 1 1 97 97 TYR CB C 97 40.512 40.512 41.745 -1.233 17551 2658 1 4 . 1 1 97 97 TYR H H 97 8.066 8.066 7.696 0.370 17551 2659 1 4 . 1 1 98 98 HIS N N 98 128.370 128.370 128.505 -0.135 17551 2660 1 4 . 1 1 98 98 HIS HA H 98 5.466 5.466 5.258 0.208 17551 2661 1 4 . 1 1 98 98 HIS C C 98 172.821 172.821 173.299 -0.478 17551 2662 1 4 . 1 1 98 98 HIS CA C 98 54.311 54.311 54.861 -0.550 17551 2663 1 4 . 1 1 98 98 HIS CB C 98 31.053 31.053 32.867 -1.814 17551 2664 1 4 . 1 1 98 98 HIS H H 98 8.786 8.786 8.705 0.081 17551 2665 1 4 . 1 1 99 99 HIS N N 99 130.146 130.146 129.696 0.450 17551 2666 1 4 . 1 1 99 99 HIS HA H 99 5.689 5.689 5.950 -0.261 17551 2667 1 4 . 1 1 99 99 HIS C C 99 173.405 173.405 173.977 -0.572 17551 2668 1 4 . 1 1 99 99 HIS CA C 99 55.101 55.101 53.799 1.302 17551 2669 1 4 . 1 1 99 99 HIS CB C 99 34.888 34.888 32.593 2.295 17551 2670 1 4 . 1 1 99 99 HIS H H 99 8.963 8.963 8.369 0.594 17551 2671 1 4 . 1 1 100 100 THR N N 100 117.843 117.843 119.865 -2.022 17551 2672 1 4 . 1 1 100 100 THR HA H 100 5.597 5.597 5.376 0.221 17551 2673 1 4 . 1 1 100 100 THR C C 100 172.563 172.563 172.506 0.057 17551 2674 1 4 . 1 1 100 100 THR CA C 100 57.863 57.863 59.799 -1.936 17551 2675 1 4 . 1 1 100 100 THR CB C 100 71.830 71.830 71.504 0.326 17551 2676 1 4 . 1 1 100 100 THR H H 100 8.871 8.871 8.550 0.321 17551 2677 1 4 . 1 1 101 101 ALA N N 101 121.591 121.591 126.868 -5.277 17551 2678 1 4 . 1 1 101 101 ALA HA H 101 5.318 5.318 5.212 0.106 17551 2679 1 4 . 1 1 101 101 ALA C C 101 175.540 175.540 175.582 -0.042 17551 2680 1 4 . 1 1 101 101 ALA CA C 101 50.320 50.320 49.991 0.329 17551 2681 1 4 . 1 1 101 101 ALA CB C 101 22.819 22.819 21.778 1.041 17551 2682 1 4 . 1 1 101 101 ALA H H 101 8.825 8.825 9.020 -0.195 17551 2683 1 4 . 1 1 102 102 GLU N N 102 118.491 118.491 119.928 -1.437 17551 2684 1 4 . 1 1 102 102 GLU HA H 102 5.194 5.194 5.031 0.163 17551 2685 1 4 . 1 1 102 102 GLU C C 102 172.497 172.497 174.228 -1.731 17551 2686 1 4 . 1 1 102 102 GLU CA C 102 53.879 53.879 54.989 -1.110 17551 2687 1 4 . 1 1 102 102 GLU H H 102 8.785 8.785 8.326 0.459 17551 2688 1 4 . 1 1 103 103 ILE N N 103 121.813 121.813 121.043 0.770 17551 2689 1 4 . 1 1 103 103 ILE HA H 103 5.129 5.129 5.084 0.045 17551 2690 1 4 . 1 1 103 103 ILE C C 103 177.119 177.119 176.554 0.565 17551 2691 1 4 . 1 1 103 103 ILE CA C 103 56.631 56.631 59.128 -2.497 17551 2692 1 4 . 1 1 103 103 ILE CB C 103 34.564 34.564 38.490 -3.926 17551 2693 1 4 . 1 1 103 103 ILE H H 103 8.442 8.442 8.677 -0.235 17551 2694 1 4 . 1 1 104 104 SER N N 104 122.295 122.295 123.125 -0.830 17551 2695 1 4 . 1 1 104 104 SER HA H 104 4.783 4.783 4.686 0.097 17551 2696 1 4 . 1 1 104 104 SER CA C 104 55.521 55.521 57.741 -2.220 17551 2697 1 4 . 1 1 104 104 SER CB C 104 63.426 63.426 62.247 1.179 17551 2698 1 4 . 1 1 104 104 SER H H 104 9.119 9.119 8.954 0.165 17551 2699 1 4 . 1 1 105 105 GLY C C 105 175.730 175.730 174.614 1.116 17551 2700 1 4 . 1 1 105 105 GLY CA C 105 46.925 46.925 45.470 1.455 17551 2701 1 4 . 1 1 106 106 GLY N N 106 105.123 105.123 108.402 -3.279 17551 2702 1 4 . 1 1 106 106 GLY C C 106 173.229 173.229 172.286 0.943 17551 2703 1 4 . 1 1 106 106 GLY CA C 106 44.771 44.771 45.248 -0.477 17551 2704 1 4 . 1 1 106 106 GLY H H 106 8.476 8.476 7.898 0.578 17551 2705 1 4 . 1 1 107 107 LYS N N 107 119.187 119.187 119.007 0.180 17551 2706 1 4 . 1 1 107 107 LYS HA H 107 4.856 4.856 4.695 0.161 17551 2707 1 4 . 1 1 107 107 LYS C C 107 174.072 174.072 174.010 0.062 17551 2708 1 4 . 1 1 107 107 LYS CA C 107 54.240 54.240 54.926 -0.686 17551 2709 1 4 . 1 1 107 107 LYS CB C 107 34.508 34.508 36.522 -2.014 17551 2710 1 4 . 1 1 107 107 LYS H H 107 7.639 7.639 7.548 0.091 17551 2711 1 4 . 1 1 108 108 LEU N N 108 122.725 122.725 124.776 -2.051 17551 2712 1 4 . 1 1 108 108 LEU HA H 108 4.793 4.793 5.177 -0.384 17551 2713 1 4 . 1 1 108 108 LEU C C 108 174.906 174.906 174.445 0.461 17551 2714 1 4 . 1 1 108 108 LEU CA C 108 54.275 54.275 53.959 0.316 17551 2715 1 4 . 1 1 108 108 LEU CB C 108 42.801 42.801 43.172 -0.371 17551 2716 1 4 . 1 1 108 108 LEU H H 108 8.481 8.481 8.850 -0.369 17551 2717 1 4 . 1 1 109 109 VAL N N 109 130.844 130.844 127.881 2.963 17551 2718 1 4 . 1 1 109 109 VAL HA H 109 4.953 4.953 5.260 -0.307 17551 2719 1 4 . 1 1 109 109 VAL C C 109 176.004 176.004 173.949 2.055 17551 2720 1 4 . 1 1 109 109 VAL CA C 109 61.541 61.541 59.346 2.196 17551 2721 1 4 . 1 1 109 109 VAL CB C 109 32.721 32.721 34.818 -2.097 17551 2722 1 4 . 1 1 109 109 VAL H H 109 9.391 9.391 8.810 0.581 17551 2723 1 4 . 1 1 110 110 GLU N N 110 130.618 130.618 129.267 1.351 17551 2724 1 4 . 1 1 110 110 GLU HA H 110 5.393 5.393 5.163 0.230 17551 2725 1 4 . 1 1 110 110 GLU C C 110 175.537 175.537 175.286 0.251 17551 2726 1 4 . 1 1 110 110 GLU CA C 110 53.476 53.476 54.478 -1.002 17551 2727 1 4 . 1 1 110 110 GLU H H 110 9.386 9.386 8.508 0.878 17551 2728 1 4 . 1 1 111 111 ILE N N 111 126.952 126.952 125.797 1.155 17551 2729 1 4 . 1 1 111 111 ILE HA H 111 4.910 4.910 4.722 0.188 17551 2730 1 4 . 1 1 111 111 ILE C C 111 175.156 175.156 174.900 0.256 17551 2731 1 4 . 1 1 111 111 ILE CA C 111 59.562 59.562 60.012 -0.450 17551 2732 1 4 . 1 1 111 111 ILE CB C 111 39.029 39.029 40.113 -1.084 17551 2733 1 4 . 1 1 111 111 ILE H H 111 8.912 8.912 8.803 0.108 17551 2734 1 4 . 1 1 112 112 SER N N 112 125.389 125.389 124.856 0.533 17551 2735 1 4 . 1 1 112 112 SER HA H 112 5.524 5.524 5.514 0.010 17551 2736 1 4 . 1 1 112 112 SER C C 112 172.120 172.120 174.039 -1.919 17551 2737 1 4 . 1 1 112 112 SER CA C 112 55.756 55.756 56.747 -0.991 17551 2738 1 4 . 1 1 112 112 SER CB C 112 64.025 64.025 64.638 -0.613 17551 2739 1 4 . 1 1 112 112 SER H H 112 9.495 9.495 9.221 0.274 17551 2740 1 4 . 1 1 113 113 THR N N 113 119.329 119.329 123.077 -3.748 17551 2741 1 4 . 1 1 113 113 THR HA H 113 5.633 5.633 5.228 0.405 17551 2742 1 4 . 1 1 113 113 THR C C 113 174.911 174.911 174.045 0.866 17551 2743 1 4 . 1 1 113 113 THR CA C 113 60.362 60.362 61.444 -1.082 17551 2744 1 4 . 1 1 113 113 THR CB C 113 70.377 70.377 69.821 0.556 17551 2745 1 4 . 1 1 113 113 THR H H 113 9.274 9.274 9.121 0.153 17551 2746 1 4 . 1 1 114 114 SER N N 114 121.027 121.027 121.242 -0.215 17551 2747 1 4 . 1 1 114 114 SER HA H 114 4.479 4.479 5.317 -0.838 17551 2748 1 4 . 1 1 114 114 SER C C 114 174.507 174.507 174.696 -0.189 17551 2749 1 4 . 1 1 114 114 SER CA C 114 57.423 57.423 56.846 0.577 17551 2750 1 4 . 1 1 114 114 SER CB C 114 64.798 64.798 64.317 0.481 17551 2751 1 4 . 1 1 114 114 SER H H 114 8.657 8.657 8.900 -0.243 17551 2752 1 4 . 1 1 115 115 SER N N 115 122.405 122.405 121.844 0.561 17551 2753 1 4 . 1 1 115 115 SER HA H 115 4.092 4.092 4.069 0.023 17551 2754 1 4 . 1 1 115 115 SER C C 115 174.387 174.387 174.073 0.314 17551 2755 1 4 . 1 1 115 115 SER CA C 115 58.417 58.417 59.723 -1.306 17551 2756 1 4 . 1 1 115 115 SER CB C 115 61.860 61.860 61.654 0.206 17551 2757 1 4 . 1 1 115 115 SER H H 115 9.265 9.265 9.147 0.118 17551 2758 1 4 . 1 1 116 116 GLY N N 116 103.741 103.741 103.781 -0.040 17551 2759 1 4 . 1 1 116 116 GLY C C 116 173.618 173.618 173.925 -0.307 17551 2760 1 4 . 1 1 116 116 GLY CA C 116 44.584 44.584 44.630 -0.046 17551 2761 1 4 . 1 1 116 116 GLY H H 116 8.730 8.730 8.267 0.463 17551 2762 1 4 . 1 1 117 117 VAL N N 117 123.819 123.819 125.121 -1.302 17551 2763 1 4 . 1 1 117 117 VAL HA H 117 4.242 4.242 3.970 0.272 17551 2764 1 4 . 1 1 117 117 VAL C C 117 173.712 173.712 175.310 -1.598 17551 2765 1 4 . 1 1 117 117 VAL CA C 117 61.946 61.946 63.888 -1.942 17551 2766 1 4 . 1 1 117 117 VAL CB C 117 32.244 32.244 32.475 -0.231 17551 2767 1 4 . 1 1 117 117 VAL H H 117 8.177 8.177 7.592 0.585 17551 2768 1 4 . 1 1 118 118 VAL N N 118 127.074 127.074 128.807 -1.733 17551 2769 1 4 . 1 1 118 118 VAL HA H 118 4.519 4.519 4.111 0.408 17551 2770 1 4 . 1 1 118 118 VAL C C 118 174.793 174.793 174.822 -0.029 17551 2771 1 4 . 1 1 118 118 VAL CA C 118 61.227 61.227 61.909 -0.682 17551 2772 1 4 . 1 1 118 118 VAL CB C 118 32.503 32.503 31.548 0.955 17551 2773 1 4 . 1 1 118 118 VAL H H 118 8.441 8.441 8.313 0.128 17551 2774 1 4 . 1 1 119 119 TYR N N 119 131.178 131.178 130.778 0.400 17551 2775 1 4 . 1 1 119 119 TYR HA H 119 5.095 5.095 4.846 0.249 17551 2776 1 4 . 1 1 119 119 TYR C C 119 173.029 173.029 173.746 -0.717 17551 2777 1 4 . 1 1 119 119 TYR CA C 119 54.862 54.862 56.297 -1.435 17551 2778 1 4 . 1 1 119 119 TYR CB C 119 40.213 40.213 41.316 -1.103 17551 2779 1 4 . 1 1 119 119 TYR H H 119 9.315 9.315 9.118 0.197 17551 2780 1 4 . 1 1 120 120 LYS N N 120 126.654 126.654 126.859 -0.205 17551 2781 1 4 . 1 1 120 120 LYS HA H 120 4.922 4.922 5.131 -0.209 17551 2782 1 4 . 1 1 120 120 LYS C C 120 173.813 173.813 174.395 -0.582 17551 2783 1 4 . 1 1 120 120 LYS CA C 120 53.685 53.685 54.325 -0.639 17551 2784 1 4 . 1 1 120 120 LYS CB C 120 36.014 36.014 36.558 -0.544 17551 2785 1 4 . 1 1 120 120 LYS H H 120 7.342 7.342 8.358 -1.016 17551 2786 1 4 . 1 1 121 121 ARG N N 121 124.124 124.124 122.155 1.969 17551 2787 1 4 . 1 1 121 121 ARG HA H 121 4.798 4.798 4.910 -0.112 17551 2788 1 4 . 1 1 121 121 ARG C C 121 174.874 174.874 174.614 0.260 17551 2789 1 4 . 1 1 121 121 ARG CB C 121 34.257 34.257 33.742 0.515 17551 2790 1 4 . 1 1 121 121 ARG H H 121 9.087 9.087 8.699 0.388 17551 2791 1 4 . 1 1 122 122 THR N N 122 122.859 122.859 121.244 1.615 17551 2792 1 4 . 1 1 122 122 THR HA H 122 5.224 5.224 5.308 -0.084 17551 2793 1 4 . 1 1 122 122 THR C C 122 174.321 174.321 173.830 0.491 17551 2794 1 4 . 1 1 122 122 THR CA C 122 62.177 62.177 61.757 0.420 17551 2795 1 4 . 1 1 122 122 THR CB C 122 69.459 69.459 70.683 -1.224 17551 2796 1 4 . 1 1 122 122 THR H H 122 9.358 9.358 8.910 0.448 17551 2797 1 4 . 1 1 123 123 SER N N 123 123.389 123.389 122.559 0.830 17551 2798 1 4 . 1 1 123 123 SER HA H 123 5.196 5.196 5.319 -0.123 17551 2799 1 4 . 1 1 123 123 SER C C 123 172.464 172.464 173.372 -0.908 17551 2800 1 4 . 1 1 123 123 SER CA C 123 57.571 57.571 57.377 0.194 17551 2801 1 4 . 1 1 123 123 SER CB C 123 65.697 65.697 66.567 -0.870 17551 2802 1 4 . 1 1 123 123 SER H H 123 9.749 9.749 9.450 0.299 17551 2803 1 4 . 1 1 124 124 LYS N N 124 125.058 125.058 122.699 2.359 17551 2804 1 4 . 1 1 124 124 LYS HA H 124 4.681 4.681 4.423 0.258 17551 2805 1 4 . 1 1 124 124 LYS C C 124 175.141 175.141 175.327 -0.186 17551 2806 1 4 . 1 1 124 124 LYS CA C 124 54.444 54.444 56.253 -1.809 17551 2807 1 4 . 1 1 124 124 LYS CB C 124 33.492 33.492 33.727 -0.235 17551 2808 1 4 . 1 1 124 124 LYS H H 124 8.808 8.808 8.300 0.508 17551 2809 1 4 . 1 1 125 125 LYS N N 125 126.114 126.114 123.382 2.732 17551 2810 1 4 . 1 1 125 125 LYS HA H 125 4.367 4.367 4.892 -0.525 17551 2811 1 4 . 1 1 125 125 LYS C C 125 176.828 176.828 175.472 1.356 17551 2812 1 4 . 1 1 125 125 LYS CA C 125 56.752 56.752 55.131 1.621 17551 2813 1 4 . 1 1 125 125 LYS CB C 125 32.912 32.912 32.815 0.097 17551 2814 1 4 . 1 1 125 125 LYS H H 125 9.215 9.215 8.618 0.597 17551 2815 1 4 . 1 1 126 126 ILE N N 126 125.207 125.207 124.421 0.786 17551 2816 1 4 . 1 1 126 126 ILE HA H 126 4.302 4.302 4.551 -0.249 17551 2817 1 4 . 1 1 126 126 ILE C C 126 175.240 175.240 173.755 1.485 17551 2818 1 4 . 1 1 126 126 ILE CA C 126 60.067 60.067 59.687 0.380 17551 2819 1 4 . 1 1 126 126 ILE CB C 126 38.611 38.611 41.928 -3.317 17551 2820 1 4 . 1 1 126 126 ILE H H 126 8.777 8.777 8.683 0.094 17551 2821 1 5 . 1 1 2 2 PHE N N 2 114.421 114.421 119.581 -5.160 17551 2822 1 5 . 1 1 2 2 PHE HA H 2 4.205 4.205 4.880 -0.675 17551 2823 1 5 . 1 1 2 2 PHE C C 2 177.675 177.675 177.036 0.639 17551 2824 1 5 . 1 1 2 2 PHE CA C 2 59.748 59.748 58.144 1.604 17551 2825 1 5 . 1 1 2 2 PHE CB C 2 41.014 41.014 39.977 1.037 17551 2826 1 5 . 1 1 2 2 PHE H H 2 9.501 9.501 8.507 0.994 17551 2827 1 5 . 1 1 3 3 THR N N 3 118.304 118.304 115.573 2.731 17551 2828 1 5 . 1 1 3 3 THR HA H 3 4.021 4.021 4.341 -0.320 17551 2829 1 5 . 1 1 3 3 THR C C 3 173.811 173.811 175.145 -1.334 17551 2830 1 5 . 1 1 3 3 THR CA C 3 63.646 63.646 64.199 -0.553 17551 2831 1 5 . 1 1 3 3 THR CB C 3 69.230 69.230 69.267 -0.037 17551 2832 1 5 . 1 1 3 3 THR H H 3 7.721 7.721 8.008 -0.287 17551 2833 1 5 . 1 1 4 4 GLY N N 4 113.320 113.320 112.138 1.182 17551 2834 1 5 . 1 1 4 4 GLY C C 4 169.382 169.382 171.938 -2.556 17551 2835 1 5 . 1 1 4 4 GLY CA C 4 44.343 44.343 44.566 -0.223 17551 2836 1 5 . 1 1 4 4 GLY H H 4 8.881 8.881 8.522 0.359 17551 2837 1 5 . 1 1 5 5 LYS N N 5 120.330 120.330 120.120 0.210 17551 2838 1 5 . 1 1 5 5 LYS HA H 5 5.255 5.255 5.284 -0.029 17551 2839 1 5 . 1 1 5 5 LYS C C 5 174.306 174.306 174.851 -0.545 17551 2840 1 5 . 1 1 5 5 LYS CA C 5 54.232 54.232 54.272 -0.040 17551 2841 1 5 . 1 1 5 5 LYS CB C 5 35.137 35.137 35.389 -0.252 17551 2842 1 5 . 1 1 5 5 LYS H H 5 7.914 7.914 8.193 -0.279 17551 2843 1 5 . 1 1 6 6 TYR N N 6 122.260 122.260 122.013 0.247 17551 2844 1 5 . 1 1 6 6 TYR HA H 6 5.617 5.617 5.854 -0.237 17551 2845 1 5 . 1 1 6 6 TYR C C 6 174.519 174.519 175.654 -1.135 17551 2846 1 5 . 1 1 6 6 TYR CA C 6 55.158 55.158 56.100 -0.942 17551 2847 1 5 . 1 1 6 6 TYR CB C 6 41.637 41.637 42.739 -1.102 17551 2848 1 5 . 1 1 6 6 TYR H H 6 9.736 9.736 8.999 0.737 17551 2849 1 5 . 1 1 7 7 GLU N N 7 122.025 122.025 119.818 2.207 17551 2850 1 5 . 1 1 7 7 GLU HA H 7 5.096 5.096 4.890 0.206 17551 2851 1 5 . 1 1 7 7 GLU C C 7 174.888 174.888 175.269 -0.381 17551 2852 1 5 . 1 1 7 7 GLU CA C 7 53.988 53.988 53.897 0.091 17551 2853 1 5 . 1 1 7 7 GLU CB C 7 33.716 33.716 34.673 -0.957 17551 2854 1 5 . 1 1 7 7 GLU H H 7 9.461 9.461 8.491 0.970 17551 2855 1 5 . 1 1 8 8 PHE N N 8 126.529 126.529 123.194 3.335 17551 2856 1 5 . 1 1 8 8 PHE HA H 8 4.599 4.599 4.347 0.252 17551 2857 1 5 . 1 1 8 8 PHE C C 8 172.999 172.999 175.016 -2.017 17551 2858 1 5 . 1 1 8 8 PHE CA C 8 59.847 59.847 58.947 0.900 17551 2859 1 5 . 1 1 8 8 PHE CB C 8 40.687 40.687 39.099 1.588 17551 2860 1 5 . 1 1 8 8 PHE H H 8 7.986 7.986 8.990 -1.004 17551 2861 1 5 . 1 1 9 9 GLU N N 9 129.046 129.046 128.785 0.261 17551 2862 1 5 . 1 1 9 9 GLU HA H 9 4.306 4.306 4.273 0.033 17551 2863 1 5 . 1 1 9 9 GLU C C 9 174.528 174.528 175.759 -1.231 17551 2864 1 5 . 1 1 9 9 GLU CA C 9 56.545 56.545 56.700 -0.155 17551 2865 1 5 . 1 1 9 9 GLU CB C 9 32.798 32.798 32.285 0.513 17551 2866 1 5 . 1 1 9 9 GLU H H 9 9.151 9.151 8.472 0.679 17551 2867 1 5 . 1 1 10 10 SER N N 10 111.041 111.041 113.744 -2.703 17551 2868 1 5 . 1 1 10 10 SER HA H 10 4.258 4.258 4.583 -0.325 17551 2869 1 5 . 1 1 10 10 SER C C 10 171.216 171.216 172.226 -1.010 17551 2870 1 5 . 1 1 10 10 SER CA C 10 57.930 57.930 57.013 0.917 17551 2871 1 5 . 1 1 10 10 SER CB C 10 64.720 64.720 66.567 -1.847 17551 2872 1 5 . 1 1 10 10 SER H H 10 7.612 7.612 8.035 -0.423 17551 2873 1 5 . 1 1 11 11 ASP N N 11 118.058 118.058 119.216 -1.158 17551 2874 1 5 . 1 1 11 11 ASP HA H 11 5.500 5.500 5.466 0.034 17551 2875 1 5 . 1 1 11 11 ASP C C 11 174.845 174.845 174.783 0.062 17551 2876 1 5 . 1 1 11 11 ASP CA C 11 51.633 51.633 53.243 -1.610 17551 2877 1 5 . 1 1 11 11 ASP H H 11 8.632 8.632 8.473 0.159 17551 2878 1 5 . 1 1 12 12 GLU N N 12 117.523 117.523 119.762 -2.239 17551 2879 1 5 . 1 1 12 12 GLU HA H 12 4.782 4.782 4.536 0.246 17551 2880 1 5 . 1 1 12 12 GLU C C 12 175.293 175.293 175.248 0.045 17551 2881 1 5 . 1 1 12 12 GLU CB C 12 33.450 33.450 32.523 0.927 17551 2882 1 5 . 1 1 12 12 GLU H H 12 8.562 8.562 8.548 0.014 17551 2883 1 5 . 1 1 13 13 ASN N N 13 118.877 118.877 119.451 -0.574 17551 2884 1 5 . 1 1 13 13 ASN HA H 13 4.742 4.742 4.528 0.214 17551 2885 1 5 . 1 1 13 13 ASN C C 13 175.303 175.303 174.665 0.638 17551 2886 1 5 . 1 1 13 13 ASN CA C 13 53.373 53.373 54.058 -0.685 17551 2887 1 5 . 1 1 13 13 ASN CB C 13 37.207 37.207 37.245 -0.038 17551 2888 1 5 . 1 1 13 13 ASN H H 13 9.110 9.110 9.141 -0.031 17551 2889 1 5 . 1 1 14 14 TYR N N 14 118.061 118.061 120.214 -2.153 17551 2890 1 5 . 1 1 14 14 TYR HA H 14 4.015 4.015 4.154 -0.139 17551 2891 1 5 . 1 1 14 14 TYR C C 14 176.581 176.581 176.573 0.008 17551 2892 1 5 . 1 1 14 14 TYR CA C 14 62.797 62.797 62.059 0.738 17551 2893 1 5 . 1 1 14 14 TYR CB C 14 38.998 38.998 38.832 0.166 17551 2894 1 5 . 1 1 14 14 TYR H H 14 8.731 8.731 8.526 0.205 17551 2895 1 5 . 1 1 15 15 ASP N N 15 115.317 115.317 118.809 -3.492 17551 2896 1 5 . 1 1 15 15 ASP HA H 15 4.112 4.112 4.324 -0.212 17551 2897 1 5 . 1 1 15 15 ASP C C 15 178.333 178.333 178.539 -0.206 17551 2898 1 5 . 1 1 15 15 ASP CA C 15 57.819 57.819 58.525 -0.706 17551 2899 1 5 . 1 1 15 15 ASP CB C 15 40.410 40.410 40.132 0.278 17551 2900 1 5 . 1 1 15 15 ASP H H 15 8.316 8.316 8.958 -0.642 17551 2901 1 5 . 1 1 16 16 ASP N N 16 117.774 117.774 119.581 -1.807 17551 2902 1 5 . 1 1 16 16 ASP HA H 16 4.392 4.392 4.402 -0.010 17551 2903 1 5 . 1 1 16 16 ASP C C 16 178.597 178.597 178.173 0.424 17551 2904 1 5 . 1 1 16 16 ASP CA C 16 56.348 56.348 57.718 -1.370 17551 2905 1 5 . 1 1 16 16 ASP CB C 16 39.883 39.883 40.831 -0.948 17551 2906 1 5 . 1 1 16 16 ASP H H 16 8.449 8.449 8.548 -0.099 17551 2907 1 5 . 1 1 17 17 PHE N N 17 120.363 120.363 120.832 -0.469 17551 2908 1 5 . 1 1 17 17 PHE HA H 17 4.068 4.068 4.132 -0.064 17551 2909 1 5 . 1 1 17 17 PHE C C 17 176.755 176.755 177.378 -0.623 17551 2910 1 5 . 1 1 17 17 PHE CA C 17 61.840 61.840 60.856 0.984 17551 2911 1 5 . 1 1 17 17 PHE CB C 17 39.794 39.794 39.260 0.534 17551 2912 1 5 . 1 1 17 17 PHE H H 17 7.931 7.931 7.485 0.446 17551 2913 1 5 . 1 1 18 18 VAL N N 18 110.180 110.180 115.920 -5.740 17551 2914 1 5 . 1 1 18 18 VAL HA H 18 3.595 3.595 3.303 0.292 17551 2915 1 5 . 1 1 18 18 VAL C C 18 178.434 178.434 177.757 0.677 17551 2916 1 5 . 1 1 18 18 VAL CA C 18 64.697 64.697 66.344 -1.647 17551 2917 1 5 . 1 1 18 18 VAL CB C 18 29.602 29.602 31.258 -1.656 17551 2918 1 5 . 1 1 18 18 VAL H H 18 8.294 8.294 8.493 -0.199 17551 2919 1 5 . 1 1 19 19 LYS N N 19 119.749 119.749 118.773 0.976 17551 2920 1 5 . 1 1 19 19 LYS HA H 19 4.108 4.108 4.118 -0.010 17551 2921 1 5 . 1 1 19 19 LYS C C 19 179.796 179.796 178.996 0.800 17551 2922 1 5 . 1 1 19 19 LYS CA C 19 58.320 58.320 58.030 0.290 17551 2923 1 5 . 1 1 19 19 LYS CB C 19 31.918 31.918 31.830 0.088 17551 2924 1 5 . 1 1 19 19 LYS H H 19 7.382 7.382 8.367 -0.985 17551 2925 1 5 . 1 1 20 20 LYS N N 20 121.187 121.187 119.595 1.592 17551 2926 1 5 . 1 1 20 20 LYS HA H 20 4.071 4.071 4.102 -0.031 17551 2927 1 5 . 1 1 20 20 LYS C C 20 179.071 179.071 178.618 0.453 17551 2928 1 5 . 1 1 20 20 LYS CA C 20 57.347 57.347 58.077 -0.730 17551 2929 1 5 . 1 1 20 20 LYS CB C 20 30.633 30.633 32.483 -1.850 17551 2930 1 5 . 1 1 20 20 LYS H H 20 7.718 7.718 7.435 0.283 17551 2931 1 5 . 1 1 21 21 ILE N N 21 109.363 109.363 111.692 -2.329 17551 2932 1 5 . 1 1 21 21 ILE HA H 21 4.212 4.212 4.027 0.185 17551 2933 1 5 . 1 1 21 21 ILE C C 21 176.366 176.366 176.036 0.330 17551 2934 1 5 . 1 1 21 21 ILE CA C 21 61.610 61.610 61.290 0.320 17551 2935 1 5 . 1 1 21 21 ILE CB C 21 36.968 36.968 37.898 -0.930 17551 2936 1 5 . 1 1 21 21 ILE H H 21 7.591 7.591 7.482 0.109 17551 2937 1 5 . 1 1 22 22 GLY N N 22 107.961 107.961 108.426 -0.465 17551 2938 1 5 . 1 1 22 22 GLY C C 22 174.877 174.877 174.743 0.134 17551 2939 1 5 . 1 1 22 22 GLY CA C 22 45.510 45.510 44.980 0.530 17551 2940 1 5 . 1 1 22 22 GLY H H 22 7.260 7.260 7.306 -0.046 17551 2941 1 5 . 1 1 23 23 LEU N N 23 120.597 120.597 122.373 -1.776 17551 2942 1 5 . 1 1 23 23 LEU HA H 23 4.207 4.207 4.516 -0.309 17551 2943 1 5 . 1 1 23 23 LEU CA C 23 52.923 52.923 52.492 0.431 17551 2944 1 5 . 1 1 23 23 LEU CB C 23 42.241 42.241 42.731 -0.490 17551 2945 1 5 . 1 1 23 23 LEU H H 23 7.314 7.314 7.767 -0.453 17551 2946 1 5 . 1 1 24 24 PRO HA H 24 4.537 4.537 4.501 0.036 17551 2947 1 5 . 1 1 24 24 PRO C C 24 177.702 177.702 177.588 0.114 17551 2948 1 5 . 1 1 24 24 PRO CA C 24 61.891 61.891 62.509 -0.618 17551 2949 1 5 . 1 1 24 24 PRO CB C 24 32.260 32.260 32.674 -0.414 17551 2950 1 5 . 1 1 25 25 ALA N N 25 123.142 123.142 127.219 -4.077 17551 2951 1 5 . 1 1 25 25 ALA HA H 25 3.935 3.935 3.925 0.010 17551 2952 1 5 . 1 1 25 25 ALA C C 25 179.461 179.461 179.832 -0.371 17551 2953 1 5 . 1 1 25 25 ALA CA C 25 55.314 55.314 55.296 0.018 17551 2954 1 5 . 1 1 25 25 ALA CB C 25 18.220 18.220 18.463 -0.243 17551 2955 1 5 . 1 1 25 25 ALA H H 25 8.738 8.738 8.789 -0.051 17551 2956 1 5 . 1 1 26 26 ASP N N 26 115.440 115.440 116.375 -0.935 17551 2957 1 5 . 1 1 26 26 ASP HA H 26 4.379 4.379 4.372 0.007 17551 2958 1 5 . 1 1 26 26 ASP C C 26 179.291 179.291 178.017 1.274 17551 2959 1 5 . 1 1 26 26 ASP CA C 26 56.015 56.015 57.512 -1.497 17551 2960 1 5 . 1 1 26 26 ASP CB C 26 38.136 38.136 40.636 -2.499 17551 2961 1 5 . 1 1 26 26 ASP H H 26 8.971 8.971 8.722 0.249 17551 2962 1 5 . 1 1 27 27 LYS N N 27 122.292 122.292 117.537 4.755 17551 2963 1 5 . 1 1 27 27 LYS HA H 27 4.160 4.160 4.319 -0.159 17551 2964 1 5 . 1 1 27 27 LYS C C 27 177.758 177.758 178.689 -0.931 17551 2965 1 5 . 1 1 27 27 LYS CA C 27 58.022 58.022 57.084 0.938 17551 2966 1 5 . 1 1 27 27 LYS CB C 27 31.334 31.334 32.685 -1.351 17551 2967 1 5 . 1 1 27 27 LYS H H 27 7.434 7.434 7.538 -0.104 17551 2968 1 5 . 1 1 28 28 ILE N N 28 119.737 119.737 121.649 -1.912 17551 2969 1 5 . 1 1 28 28 ILE HA H 28 3.586 3.586 3.871 -0.285 17551 2970 1 5 . 1 1 28 28 ILE C C 28 180.386 180.386 178.532 1.854 17551 2971 1 5 . 1 1 28 28 ILE CA C 28 65.027 65.027 65.603 -0.576 17551 2972 1 5 . 1 1 28 28 ILE CB C 28 37.002 37.002 38.203 -1.201 17551 2973 1 5 . 1 1 28 28 ILE H H 28 8.016 8.016 8.578 -0.562 17551 2974 1 5 . 1 1 29 29 GLU N N 29 117.216 117.216 117.880 -0.664 17551 2975 1 5 . 1 1 29 29 GLU HA H 29 4.294 4.294 4.169 0.125 17551 2976 1 5 . 1 1 29 29 GLU C C 29 179.024 179.024 178.656 0.368 17551 2977 1 5 . 1 1 29 29 GLU CA C 29 58.139 58.139 58.610 -0.471 17551 2978 1 5 . 1 1 29 29 GLU CB C 29 28.028 28.028 29.649 -1.621 17551 2979 1 5 . 1 1 29 29 GLU H H 29 7.755 7.755 8.229 -0.474 17551 2980 1 5 . 1 1 30 30 MET N N 30 119.183 119.183 119.450 -0.267 17551 2981 1 5 . 1 1 30 30 MET HA H 30 4.194 4.194 4.508 -0.314 17551 2982 1 5 . 1 1 30 30 MET C C 30 177.683 177.683 176.583 1.100 17551 2983 1 5 . 1 1 30 30 MET CA C 30 58.150 58.150 56.351 1.799 17551 2984 1 5 . 1 1 30 30 MET CB C 30 33.162 33.162 33.280 -0.118 17551 2985 1 5 . 1 1 30 30 MET H H 30 7.659 7.659 7.671 -0.012 17551 2986 1 5 . 1 1 31 31 GLY N N 31 102.603 102.603 105.214 -2.611 17551 2987 1 5 . 1 1 31 31 GLY C C 31 172.264 172.264 173.255 -0.991 17551 2988 1 5 . 1 1 31 31 GLY CA C 31 45.433 45.433 44.696 0.737 17551 2989 1 5 . 1 1 31 31 GLY H H 31 7.839 7.839 8.527 -0.688 17551 2990 1 5 . 1 1 32 32 ARG N N 32 121.453 121.453 119.162 2.291 17551 2991 1 5 . 1 1 32 32 ARG HA H 32 3.072 3.072 4.143 -1.071 17551 2992 1 5 . 1 1 32 32 ARG C C 32 175.932 175.932 174.991 0.941 17551 2993 1 5 . 1 1 32 32 ARG CA C 32 56.894 56.894 55.050 1.843 17551 2994 1 5 . 1 1 32 32 ARG CB C 32 29.004 29.004 30.995 -1.991 17551 2995 1 5 . 1 1 32 32 ARG H H 32 6.954 6.954 7.585 -0.631 17551 2996 1 5 . 1 1 33 33 ASN N N 33 127.905 127.905 116.235 11.670 17551 2997 1 5 . 1 1 33 33 ASN HA H 33 4.066 4.066 4.184 -0.118 17551 2998 1 5 . 1 1 33 33 ASN C C 33 173.939 173.939 174.373 -0.434 17551 2999 1 5 . 1 1 33 33 ASN CA C 33 53.539 53.539 54.121 -0.582 17551 3000 1 5 . 1 1 33 33 ASN CB C 33 37.017 37.017 37.227 -0.210 17551 3001 1 5 . 1 1 33 33 ASN H H 33 8.990 8.990 8.469 0.521 17551 3002 1 5 . 1 1 34 34 CYS N N 34 116.649 116.649 117.588 -0.939 17551 3003 1 5 . 1 1 34 34 CYS HA H 34 4.018 4.018 4.351 -0.333 17551 3004 1 5 . 1 1 34 34 CYS C C 34 175.384 175.384 174.682 0.702 17551 3005 1 5 . 1 1 34 34 CYS CA C 34 57.216 57.216 58.339 -1.123 17551 3006 1 5 . 1 1 34 34 CYS CB C 34 27.200 27.200 29.365 -2.165 17551 3007 1 5 . 1 1 34 34 CYS H H 34 7.443 7.443 7.595 -0.152 17551 3008 1 5 . 1 1 35 35 LYS N N 35 130.727 130.727 122.753 7.974 17551 3009 1 5 . 1 1 35 35 LYS HA H 35 4.296 4.296 4.476 -0.180 17551 3010 1 5 . 1 1 35 35 LYS C C 35 175.272 175.272 174.930 0.342 17551 3011 1 5 . 1 1 35 35 LYS CA C 35 55.577 55.577 55.393 0.184 17551 3012 1 5 . 1 1 35 35 LYS CB C 35 29.487 29.487 31.330 -1.843 17551 3013 1 5 . 1 1 35 35 LYS H H 35 8.691 8.691 8.319 0.372 17551 3014 1 5 . 1 1 36 36 ILE N N 36 125.658 125.658 125.801 -0.143 17551 3015 1 5 . 1 1 36 36 ILE HA H 36 4.010 4.010 4.692 -0.682 17551 3016 1 5 . 1 1 36 36 ILE C C 36 177.115 177.115 176.155 0.960 17551 3017 1 5 . 1 1 36 36 ILE CA C 36 62.608 62.608 60.654 1.954 17551 3018 1 5 . 1 1 36 36 ILE CB C 36 39.739 39.739 38.721 1.018 17551 3019 1 5 . 1 1 36 36 ILE H H 36 7.658 7.658 7.801 -0.143 17551 3020 1 5 . 1 1 37 37 VAL N N 37 130.730 130.730 130.051 0.679 17551 3021 1 5 . 1 1 37 37 VAL HA H 37 5.105 5.105 4.831 0.274 17551 3022 1 5 . 1 1 37 37 VAL C C 37 175.295 175.295 176.044 -0.749 17551 3023 1 5 . 1 1 37 37 VAL CA C 37 60.845 60.845 61.924 -1.079 17551 3024 1 5 . 1 1 37 37 VAL CB C 37 33.716 33.716 32.757 0.959 17551 3025 1 5 . 1 1 37 37 VAL H H 37 7.909 7.909 8.693 -0.784 17551 3026 1 5 . 1 1 38 38 THR N N 38 127.066 127.066 125.070 1.996 17551 3027 1 5 . 1 1 38 38 THR HA H 38 5.405 5.405 5.497 -0.092 17551 3028 1 5 . 1 1 38 38 THR C C 38 174.035 174.035 173.956 0.079 17551 3029 1 5 . 1 1 38 38 THR CA C 38 61.303 61.303 61.055 0.248 17551 3030 1 5 . 1 1 38 38 THR CB C 38 70.474 70.474 69.727 0.747 17551 3031 1 5 . 1 1 38 38 THR H H 38 9.393 9.393 9.293 0.100 17551 3032 1 5 . 1 1 39 39 GLU N N 39 126.804 126.804 129.366 -2.562 17551 3033 1 5 . 1 1 39 39 GLU HA H 39 5.216 5.216 4.670 0.546 17551 3034 1 5 . 1 1 39 39 GLU C C 39 174.379 174.379 174.984 -0.605 17551 3035 1 5 . 1 1 39 39 GLU CA C 39 54.232 54.232 55.982 -1.750 17551 3036 1 5 . 1 1 39 39 GLU CB C 39 32.531 32.531 31.138 1.393 17551 3037 1 5 . 1 1 39 39 GLU H H 39 9.728 9.728 8.820 0.908 17551 3038 1 5 . 1 1 40 40 VAL N N 40 125.405 125.405 126.963 -1.558 17551 3039 1 5 . 1 1 40 40 VAL HA H 40 4.859 4.859 5.262 -0.403 17551 3040 1 5 . 1 1 40 40 VAL C C 40 176.139 176.139 175.179 0.960 17551 3041 1 5 . 1 1 40 40 VAL CA C 40 60.091 60.091 60.653 -0.562 17551 3042 1 5 . 1 1 40 40 VAL CB C 40 33.952 33.952 34.054 -0.102 17551 3043 1 5 . 1 1 40 40 VAL H H 40 9.326 9.326 8.995 0.331 17551 3044 1 5 . 1 1 41 41 VAL N N 41 127.197 127.197 127.359 -0.162 17551 3045 1 5 . 1 1 41 41 VAL HA H 41 4.144 4.144 4.401 -0.257 17551 3046 1 5 . 1 1 41 41 VAL C C 41 173.604 173.604 174.461 -0.857 17551 3047 1 5 . 1 1 41 41 VAL CA C 41 62.522 62.522 60.073 2.449 17551 3048 1 5 . 1 1 41 41 VAL CB C 41 33.757 33.757 33.452 0.305 17551 3049 1 5 . 1 1 41 41 VAL H H 41 8.811 8.811 8.089 0.722 17551 3050 1 5 . 1 1 42 42 GLN N N 42 130.317 130.317 126.627 3.690 17551 3051 1 5 . 1 1 42 42 GLN HA H 42 4.430 4.430 4.136 0.294 17551 3052 1 5 . 1 1 42 42 GLN C C 42 174.239 174.239 174.995 -0.756 17551 3053 1 5 . 1 1 42 42 GLN CA C 42 52.960 52.960 56.116 -3.156 17551 3054 1 5 . 1 1 42 42 GLN CB C 42 29.877 29.877 29.038 0.840 17551 3055 1 5 . 1 1 42 42 GLN H H 42 8.345 8.345 8.772 -0.427 17551 3056 1 5 . 1 1 43 43 ASN N N 43 125.513 125.513 126.913 -1.400 17551 3057 1 5 . 1 1 43 43 ASN HA H 43 4.826 4.826 4.823 0.003 17551 3058 1 5 . 1 1 43 43 ASN C C 43 175.350 175.350 175.141 0.209 17551 3059 1 5 . 1 1 43 43 ASN CA C 43 51.303 51.303 51.356 -0.053 17551 3060 1 5 . 1 1 43 43 ASN CB C 43 39.051 39.051 38.509 0.542 17551 3061 1 5 . 1 1 43 43 ASN H H 43 8.772 8.772 7.974 0.798 17551 3062 1 5 . 1 1 44 44 GLY N N 44 115.694 115.694 111.641 4.053 17551 3063 1 5 . 1 1 44 44 GLY C C 44 173.199 173.199 174.955 -1.756 17551 3064 1 5 . 1 1 44 44 GLY CA C 44 46.964 46.964 46.807 0.157 17551 3065 1 5 . 1 1 44 44 GLY H H 44 9.187 9.187 8.370 0.817 17551 3066 1 5 . 1 1 45 45 ASN N N 45 125.520 125.520 123.833 1.687 17551 3067 1 5 . 1 1 45 45 ASN HA H 45 4.991 4.991 4.846 0.145 17551 3068 1 5 . 1 1 45 45 ASN C C 45 173.822 173.822 172.945 0.877 17551 3069 1 5 . 1 1 45 45 ASN CA C 45 52.215 52.215 52.405 -0.190 17551 3070 1 5 . 1 1 45 45 ASN CB C 45 38.700 38.700 40.161 -1.461 17551 3071 1 5 . 1 1 45 45 ASN H H 45 8.854 8.854 8.308 0.546 17551 3072 1 5 . 1 1 46 46 ASP N N 46 120.842 120.842 120.720 0.122 17551 3073 1 5 . 1 1 46 46 ASP HA H 46 5.185 5.185 5.237 -0.052 17551 3074 1 5 . 1 1 46 46 ASP C C 46 174.705 174.705 174.152 0.553 17551 3075 1 5 . 1 1 46 46 ASP CA C 46 53.658 53.658 52.730 0.928 17551 3076 1 5 . 1 1 46 46 ASP CB C 46 41.025 41.025 41.966 -0.941 17551 3077 1 5 . 1 1 46 46 ASP H H 46 7.921 7.921 7.685 0.236 17551 3078 1 5 . 1 1 47 47 PHE N N 47 121.470 121.470 125.031 -3.561 17551 3079 1 5 . 1 1 47 47 PHE HA H 47 5.161 5.161 5.237 -0.076 17551 3080 1 5 . 1 1 47 47 PHE C C 47 177.125 177.125 175.871 1.254 17551 3081 1 5 . 1 1 47 47 PHE CA C 47 56.591 56.591 55.555 1.036 17551 3082 1 5 . 1 1 47 47 PHE CB C 47 44.035 44.035 41.373 2.663 17551 3083 1 5 . 1 1 47 47 PHE H H 47 9.263 9.263 8.332 0.931 17551 3084 1 5 . 1 1 48 48 THR N N 48 116.950 116.950 116.237 0.713 17551 3085 1 5 . 1 1 48 48 THR HA H 48 4.861 4.861 4.555 0.306 17551 3086 1 5 . 1 1 48 48 THR C C 48 172.499 172.499 173.980 -1.481 17551 3087 1 5 . 1 1 48 48 THR CA C 48 62.943 62.943 61.580 1.363 17551 3088 1 5 . 1 1 48 48 THR CB C 48 70.360 70.360 69.093 1.267 17551 3089 1 5 . 1 1 48 48 THR H H 48 8.831 8.831 8.388 0.443 17551 3090 1 5 . 1 1 49 49 TRP N N 49 132.266 132.266 128.834 3.432 17551 3091 1 5 . 1 1 49 49 TRP HA H 49 4.955 4.955 4.965 -0.010 17551 3092 1 5 . 1 1 49 49 TRP C C 49 175.842 175.842 174.956 0.886 17551 3093 1 5 . 1 1 49 49 TRP CA C 49 57.286 57.286 56.447 0.839 17551 3094 1 5 . 1 1 49 49 TRP CB C 49 31.894 31.894 31.646 0.248 17551 3095 1 5 . 1 1 49 49 TRP H H 49 9.914 9.914 9.271 0.643 17551 3096 1 5 . 1 1 50 50 THR N N 50 131.707 131.707 123.406 8.301 17551 3097 1 5 . 1 1 50 50 THR HA H 50 5.928 5.928 4.854 1.074 17551 3098 1 5 . 1 1 50 50 THR C C 50 173.408 173.408 173.240 0.168 17551 3099 1 5 . 1 1 50 50 THR CA C 50 60.993 60.993 61.782 -0.789 17551 3100 1 5 . 1 1 50 50 THR CB C 50 70.957 70.957 69.903 1.054 17551 3101 1 5 . 1 1 50 50 THR H H 50 9.524 9.524 8.421 1.103 17551 3102 1 5 . 1 1 51 51 GLN N N 51 124.680 124.680 126.748 -2.068 17551 3103 1 5 . 1 1 51 51 GLN HA H 51 5.056 5.056 5.382 -0.326 17551 3104 1 5 . 1 1 51 51 GLN C C 51 175.328 175.328 174.815 0.513 17551 3105 1 5 . 1 1 51 51 GLN CA C 51 56.309 56.309 54.466 1.843 17551 3106 1 5 . 1 1 51 51 GLN CB C 51 29.046 29.046 30.928 -1.882 17551 3107 1 5 . 1 1 51 51 GLN H H 51 9.456 9.456 9.299 0.157 17551 3108 1 5 . 1 1 52 52 HIS N N 52 122.268 122.268 124.395 -2.127 17551 3109 1 5 . 1 1 52 52 HIS HA H 52 5.051 5.051 4.908 0.143 17551 3110 1 5 . 1 1 52 52 HIS C C 52 174.819 174.819 174.084 0.735 17551 3111 1 5 . 1 1 52 52 HIS CA C 52 54.039 54.039 54.952 -0.913 17551 3112 1 5 . 1 1 52 52 HIS CB C 52 29.432 29.432 32.450 -3.018 17551 3113 1 5 . 1 1 52 52 HIS H H 52 9.534 9.534 9.171 0.363 17551 3114 1 5 . 1 1 53 53 PHE N N 53 129.837 129.837 124.052 5.785 17551 3115 1 5 . 1 1 53 53 PHE HA H 53 4.584 4.584 4.914 -0.330 17551 3116 1 5 . 1 1 53 53 PHE CA C 53 56.312 56.312 54.554 1.758 17551 3117 1 5 . 1 1 53 53 PHE CB C 53 40.660 40.660 42.114 -1.454 17551 3118 1 5 . 1 1 53 53 PHE H H 53 8.641 8.641 8.692 -0.051 17551 3119 1 5 . 1 1 54 54 PRO HA H 54 4.291 4.291 4.348 -0.057 17551 3120 1 5 . 1 1 54 54 PRO C C 54 177.389 177.389 176.875 0.514 17551 3121 1 5 . 1 1 54 54 PRO CA C 54 63.569 63.569 63.015 0.554 17551 3122 1 5 . 1 1 54 54 PRO CB C 54 30.471 30.471 30.878 -0.407 17551 3123 1 5 . 1 1 55 55 GLY N N 55 113.867 113.867 113.308 0.559 17551 3124 1 5 . 1 1 55 55 GLY C C 55 175.164 175.164 174.261 0.903 17551 3125 1 5 . 1 1 55 55 GLY CA C 55 45.258 45.258 45.257 0.001 17551 3126 1 5 . 1 1 55 55 GLY H H 55 8.926 8.926 8.661 0.265 17551 3127 1 5 . 1 1 56 56 GLY N N 56 108.877 108.877 108.082 0.795 17551 3128 1 5 . 1 1 56 56 GLY C C 56 174.054 174.054 172.738 1.316 17551 3129 1 5 . 1 1 56 56 GLY CA C 56 44.534 44.534 44.939 -0.405 17551 3130 1 5 . 1 1 56 56 GLY H H 56 8.426 8.426 7.706 0.720 17551 3131 1 5 . 1 1 57 57 ARG N N 57 123.871 123.871 119.018 4.853 17551 3132 1 5 . 1 1 57 57 ARG HA H 57 4.483 4.483 4.469 0.014 17551 3133 1 5 . 1 1 57 57 ARG C C 57 176.728 176.728 175.902 0.826 17551 3134 1 5 . 1 1 57 57 ARG CA C 57 56.217 56.217 56.260 -0.043 17551 3135 1 5 . 1 1 57 57 ARG CB C 57 31.388 31.388 30.652 0.736 17551 3136 1 5 . 1 1 57 57 ARG H H 57 8.474 8.474 8.261 0.213 17551 3137 1 5 . 1 1 58 58 THR N N 58 122.156 122.156 115.831 6.325 17551 3138 1 5 . 1 1 58 58 THR HA H 58 5.299 5.299 4.791 0.508 17551 3139 1 5 . 1 1 58 58 THR C C 58 174.092 174.092 174.618 -0.526 17551 3140 1 5 . 1 1 58 58 THR CA C 58 62.125 62.125 61.276 0.849 17551 3141 1 5 . 1 1 58 58 THR CB C 58 70.339 70.339 70.634 -0.295 17551 3142 1 5 . 1 1 58 58 THR H H 58 8.818 8.818 8.302 0.516 17551 3143 1 5 . 1 1 59 59 THR N N 59 127.287 127.287 122.169 5.118 17551 3144 1 5 . 1 1 59 59 THR HA H 59 4.505 4.505 4.700 -0.195 17551 3145 1 5 . 1 1 59 59 THR C C 59 172.626 172.626 172.996 -0.370 17551 3146 1 5 . 1 1 59 59 THR CA C 59 62.163 62.163 61.733 0.430 17551 3147 1 5 . 1 1 59 59 THR CB C 59 70.565 70.565 72.440 -1.875 17551 3148 1 5 . 1 1 59 59 THR H H 59 9.281 9.281 9.033 0.248 17551 3149 1 5 . 1 1 60 60 THR N N 60 123.658 123.658 121.573 2.085 17551 3150 1 5 . 1 1 60 60 THR HA H 60 5.105 5.105 5.196 -0.091 17551 3151 1 5 . 1 1 60 60 THR C C 60 172.453 172.453 173.271 -0.818 17551 3152 1 5 . 1 1 60 60 THR CA C 60 61.277 61.277 61.533 -0.256 17551 3153 1 5 . 1 1 60 60 THR CB C 60 70.432 70.432 70.602 -0.170 17551 3154 1 5 . 1 1 60 60 THR H H 60 8.952 8.952 8.700 0.252 17551 3155 1 5 . 1 1 61 61 ASN N N 61 124.292 124.292 124.985 -0.693 17551 3156 1 5 . 1 1 61 61 ASN HA H 61 5.384 5.384 5.162 0.222 17551 3157 1 5 . 1 1 61 61 ASN C C 61 173.609 173.609 173.932 -0.323 17551 3158 1 5 . 1 1 61 61 ASN CA C 61 52.190 52.190 52.255 -0.065 17551 3159 1 5 . 1 1 61 61 ASN CB C 61 43.987 43.987 41.451 2.536 17551 3160 1 5 . 1 1 61 61 ASN H H 61 8.848 8.848 9.302 -0.454 17551 3161 1 5 . 1 1 62 62 SER N N 62 118.046 118.046 117.042 1.004 17551 3162 1 5 . 1 1 62 62 SER HA H 62 5.659 5.659 5.144 0.515 17551 3163 1 5 . 1 1 62 62 SER C C 62 172.545 172.545 173.454 -0.909 17551 3164 1 5 . 1 1 62 62 SER CA C 62 56.974 56.974 57.529 -0.555 17551 3165 1 5 . 1 1 62 62 SER CB C 62 64.719 64.719 64.735 -0.016 17551 3166 1 5 . 1 1 62 62 SER H H 62 8.986 8.986 8.599 0.387 17551 3167 1 5 . 1 1 63 63 PHE N N 63 118.769 118.769 119.290 -0.521 17551 3168 1 5 . 1 1 63 63 PHE HA H 63 5.016 5.016 4.990 0.026 17551 3169 1 5 . 1 1 63 63 PHE C C 63 172.500 172.500 173.557 -1.057 17551 3170 1 5 . 1 1 63 63 PHE CA C 63 55.793 55.793 56.483 -0.690 17551 3171 1 5 . 1 1 63 63 PHE CB C 63 39.459 39.459 41.415 -1.956 17551 3172 1 5 . 1 1 63 63 PHE H H 63 8.514 8.514 8.083 0.431 17551 3173 1 5 . 1 1 64 64 THR N N 64 120.318 120.318 118.627 1.691 17551 3174 1 5 . 1 1 64 64 THR HA H 64 5.617 5.617 4.944 0.673 17551 3175 1 5 . 1 1 64 64 THR C C 64 175.240 175.240 174.499 0.741 17551 3176 1 5 . 1 1 64 64 THR CA C 64 60.409 60.409 61.017 -0.608 17551 3177 1 5 . 1 1 64 64 THR CB C 64 71.213 71.213 70.669 0.543 17551 3178 1 5 . 1 1 64 64 THR H H 64 9.743 9.743 8.550 1.193 17551 3179 1 5 . 1 1 65 65 ILE N N 65 127.640 127.640 127.087 0.553 17551 3180 1 5 . 1 1 65 65 ILE HA H 65 4.089 4.089 3.861 0.228 17551 3181 1 5 . 1 1 65 65 ILE C C 65 176.477 176.477 177.441 -0.964 17551 3182 1 5 . 1 1 65 65 ILE CA C 65 59.299 59.299 61.703 -2.404 17551 3183 1 5 . 1 1 65 65 ILE CB C 65 35.445 35.445 36.337 -0.892 17551 3184 1 5 . 1 1 65 65 ILE H H 65 8.961 8.961 9.028 -0.067 17551 3185 1 5 . 1 1 66 66 ASP N N 66 117.361 117.361 124.021 -6.660 17551 3186 1 5 . 1 1 66 66 ASP HA H 66 4.080 4.080 4.225 -0.145 17551 3187 1 5 . 1 1 66 66 ASP C C 66 174.730 174.730 174.296 0.434 17551 3188 1 5 . 1 1 66 66 ASP CA C 66 57.150 57.150 56.029 1.121 17551 3189 1 5 . 1 1 66 66 ASP CB C 66 38.442 38.442 40.607 -2.165 17551 3190 1 5 . 1 1 66 66 ASP H H 66 9.264 9.264 9.252 0.012 17551 3191 1 5 . 1 1 67 67 LYS N N 67 121.171 121.171 119.253 1.918 17551 3192 1 5 . 1 1 67 67 LYS HA H 67 4.805 4.805 4.608 0.197 17551 3193 1 5 . 1 1 67 67 LYS C C 67 175.115 175.115 174.749 0.366 17551 3194 1 5 . 1 1 67 67 LYS CA C 67 53.900 53.900 54.422 -0.522 17551 3195 1 5 . 1 1 67 67 LYS CB C 67 34.256 34.256 35.382 -1.126 17551 3196 1 5 . 1 1 67 67 LYS H H 67 8.185 8.185 7.809 0.376 17551 3197 1 5 . 1 1 68 68 GLU N N 68 130.373 130.373 124.323 6.050 17551 3198 1 5 . 1 1 68 68 GLU HA H 68 4.194 4.194 4.598 -0.404 17551 3199 1 5 . 1 1 68 68 GLU C C 68 175.449 175.449 175.256 0.193 17551 3200 1 5 . 1 1 68 68 GLU CA C 68 58.343 58.343 55.979 2.364 17551 3201 1 5 . 1 1 68 68 GLU H H 68 8.879 8.879 8.637 0.242 17551 3202 1 5 . 1 1 69 69 ALA N N 69 130.113 130.113 125.891 4.222 17551 3203 1 5 . 1 1 69 69 ALA HA H 69 4.924 4.924 4.658 0.266 17551 3204 1 5 . 1 1 69 69 ALA C C 69 175.797 175.797 175.604 0.193 17551 3205 1 5 . 1 1 69 69 ALA CA C 69 50.151 50.151 50.658 -0.507 17551 3206 1 5 . 1 1 69 69 ALA CB C 69 22.239 22.239 22.912 -0.673 17551 3207 1 5 . 1 1 69 69 ALA H H 69 8.864 8.864 8.951 -0.087 17551 3208 1 5 . 1 1 70 70 ASP N N 70 120.889 120.889 123.548 -2.659 17551 3209 1 5 . 1 1 70 70 ASP HA H 70 4.852 4.852 4.839 0.013 17551 3210 1 5 . 1 1 70 70 ASP C C 70 175.541 175.541 175.279 0.262 17551 3211 1 5 . 1 1 70 70 ASP CA C 70 54.211 54.211 54.633 -0.422 17551 3212 1 5 . 1 1 70 70 ASP CB C 70 41.052 41.052 40.995 0.057 17551 3213 1 5 . 1 1 70 70 ASP H H 70 8.319 8.319 8.604 -0.285 17551 3214 1 5 . 1 1 71 71 MET N N 71 125.005 125.005 122.335 2.670 17551 3215 1 5 . 1 1 71 71 MET HA H 71 4.743 4.743 4.832 -0.089 17551 3216 1 5 . 1 1 71 71 MET C C 71 174.047 174.047 173.754 0.293 17551 3217 1 5 . 1 1 71 71 MET CA C 71 54.265 54.265 53.818 0.447 17551 3218 1 5 . 1 1 71 71 MET CB C 71 39.844 39.844 36.729 3.115 17551 3219 1 5 . 1 1 71 71 MET H H 71 8.796 8.796 8.610 0.186 17551 3220 1 5 . 1 1 72 72 GLU N N 72 118.909 118.909 119.919 -1.010 17551 3221 1 5 . 1 1 72 72 GLU HA H 72 5.613 5.613 5.502 0.111 17551 3222 1 5 . 1 1 72 72 GLU C C 72 176.109 176.109 175.135 0.974 17551 3223 1 5 . 1 1 72 72 GLU CA C 72 53.790 53.790 54.739 -0.949 17551 3224 1 5 . 1 1 72 72 GLU CB C 72 33.986 33.986 33.528 0.458 17551 3225 1 5 . 1 1 72 72 GLU H H 72 9.225 9.225 8.265 0.960 17551 3226 1 5 . 1 1 73 73 THR N N 73 109.667 109.667 116.914 -7.247 17551 3227 1 5 . 1 1 73 73 THR HA H 73 4.538 4.538 4.748 -0.210 17551 3228 1 5 . 1 1 73 73 THR C C 73 176.660 176.660 176.037 0.623 17551 3229 1 5 . 1 1 73 73 THR CA C 73 59.666 59.666 60.187 -0.520 17551 3230 1 5 . 1 1 73 73 THR CB C 73 69.710 69.710 70.512 -0.802 17551 3231 1 5 . 1 1 73 73 THR H H 73 8.904 8.904 8.622 0.282 17551 3232 1 5 . 1 1 74 74 MET N N 74 117.519 117.519 118.632 -1.113 17551 3233 1 5 . 1 1 74 74 MET HA H 74 4.776 4.776 4.339 0.437 17551 3234 1 5 . 1 1 74 74 MET C C 74 176.641 176.641 176.887 -0.246 17551 3235 1 5 . 1 1 74 74 MET CA C 74 58.631 58.631 57.706 0.925 17551 3236 1 5 . 1 1 74 74 MET H H 74 8.206 8.206 8.512 -0.306 17551 3237 1 5 . 1 1 75 75 GLY N N 75 103.810 103.810 103.679 0.131 17551 3238 1 5 . 1 1 75 75 GLY C C 75 173.956 173.956 175.257 -1.301 17551 3239 1 5 . 1 1 75 75 GLY CA C 75 43.728 43.728 44.705 -0.977 17551 3240 1 5 . 1 1 75 75 GLY H H 75 8.067 8.067 7.552 0.515 17551 3241 1 5 . 1 1 76 76 GLY N N 76 108.498 108.498 109.109 -0.611 17551 3242 1 5 . 1 1 76 76 GLY C C 76 173.267 173.267 174.500 -1.233 17551 3243 1 5 . 1 1 76 76 GLY CA C 76 44.563 44.563 44.763 -0.200 17551 3244 1 5 . 1 1 76 76 GLY H H 76 7.702 7.702 7.595 0.107 17551 3245 1 5 . 1 1 77 77 ARG N N 77 121.161 121.161 120.789 0.372 17551 3246 1 5 . 1 1 77 77 ARG HA H 77 4.348 4.348 4.492 -0.144 17551 3247 1 5 . 1 1 77 77 ARG C C 77 176.083 176.083 175.615 0.468 17551 3248 1 5 . 1 1 77 77 ARG CA C 77 55.350 55.350 55.179 0.171 17551 3249 1 5 . 1 1 77 77 ARG CB C 77 30.904 30.904 31.246 -0.342 17551 3250 1 5 . 1 1 77 77 ARG H H 77 7.328 7.328 7.724 -0.396 17551 3251 1 5 . 1 1 78 78 LYS N N 78 126.790 126.790 125.434 1.356 17551 3252 1 5 . 1 1 78 78 LYS HA H 78 5.147 5.147 4.929 0.218 17551 3253 1 5 . 1 1 78 78 LYS C C 78 176.961 176.961 176.041 0.920 17551 3254 1 5 . 1 1 78 78 LYS CA C 78 55.487 55.487 55.357 0.130 17551 3255 1 5 . 1 1 78 78 LYS CB C 78 32.769 32.769 32.855 -0.085 17551 3256 1 5 . 1 1 78 78 LYS H H 78 8.771 8.771 8.685 0.086 17551 3257 1 5 . 1 1 79 79 PHE N N 79 119.480 119.480 121.983 -2.503 17551 3258 1 5 . 1 1 79 79 PHE HA H 79 4.898 4.898 4.980 -0.082 17551 3259 1 5 . 1 1 79 79 PHE C C 79 171.587 171.587 173.335 -1.748 17551 3260 1 5 . 1 1 79 79 PHE CA C 79 55.817 55.817 56.377 -0.560 17551 3261 1 5 . 1 1 79 79 PHE CB C 79 40.702 40.702 41.238 -0.536 17551 3262 1 5 . 1 1 79 79 PHE H H 79 8.794 8.794 8.451 0.343 17551 3263 1 5 . 1 1 80 80 LYS N N 80 119.760 119.760 119.576 0.184 17551 3264 1 5 . 1 1 80 80 LYS HA H 80 5.460 5.460 5.362 0.098 17551 3265 1 5 . 1 1 80 80 LYS C C 80 176.538 176.538 175.671 0.867 17551 3266 1 5 . 1 1 80 80 LYS CA C 80 53.988 53.988 55.066 -1.078 17551 3267 1 5 . 1 1 80 80 LYS CB C 80 35.754 35.754 35.478 0.276 17551 3268 1 5 . 1 1 80 80 LYS H H 80 8.414 8.414 8.458 -0.044 17551 3269 1 5 . 1 1 81 81 ALA N N 81 121.171 121.171 126.532 -5.361 17551 3270 1 5 . 1 1 81 81 ALA HA H 81 4.738 4.738 4.589 0.149 17551 3271 1 5 . 1 1 81 81 ALA C C 81 175.290 175.290 174.971 0.319 17551 3272 1 5 . 1 1 81 81 ALA CA C 81 51.262 51.262 51.212 0.050 17551 3273 1 5 . 1 1 81 81 ALA CB C 81 22.568 22.568 21.971 0.597 17551 3274 1 5 . 1 1 81 81 ALA H H 81 8.525 8.525 8.787 -0.262 17551 3275 1 5 . 1 1 82 82 THR N N 82 117.970 117.970 116.080 1.890 17551 3276 1 5 . 1 1 82 82 THR HA H 82 4.292 4.292 4.783 -0.491 17551 3277 1 5 . 1 1 82 82 THR C C 82 172.556 172.556 173.557 -1.001 17551 3278 1 5 . 1 1 82 82 THR CA C 82 61.640 61.640 61.525 0.115 17551 3279 1 5 . 1 1 82 82 THR CB C 82 68.485 68.485 69.812 -1.327 17551 3280 1 5 . 1 1 82 82 THR H H 82 8.448 8.448 8.415 0.033 17551 3281 1 5 . 1 1 83 83 VAL N N 83 131.564 131.564 123.923 7.641 17551 3282 1 5 . 1 1 83 83 VAL HA H 83 3.784 3.784 4.601 -0.817 17551 3283 1 5 . 1 1 83 83 VAL C C 83 174.167 174.167 174.635 -0.468 17551 3284 1 5 . 1 1 83 83 VAL CA C 83 62.059 62.059 60.266 1.793 17551 3285 1 5 . 1 1 83 83 VAL CB C 83 31.076 31.076 34.035 -2.959 17551 3286 1 5 . 1 1 83 83 VAL H H 83 9.722 9.722 7.928 1.794 17551 3287 1 5 . 1 1 84 84 LYS N N 84 125.930 125.930 122.807 3.123 17551 3288 1 5 . 1 1 84 84 LYS HA H 84 4.851 4.851 4.764 0.087 17551 3289 1 5 . 1 1 84 84 LYS C C 84 175.025 175.025 174.062 0.963 17551 3290 1 5 . 1 1 84 84 LYS CA C 84 54.213 54.213 54.527 -0.314 17551 3291 1 5 . 1 1 84 84 LYS CB C 84 35.076 35.076 35.737 -0.661 17551 3292 1 5 . 1 1 84 84 LYS H H 84 8.541 8.541 9.174 -0.633 17551 3293 1 5 . 1 1 85 85 MET N N 85 119.366 119.366 120.443 -1.077 17551 3294 1 5 . 1 1 85 85 MET HA H 85 5.517 5.517 5.296 0.221 17551 3295 1 5 . 1 1 85 85 MET C C 85 175.698 175.698 175.410 0.288 17551 3296 1 5 . 1 1 85 85 MET CA C 85 54.256 54.256 54.742 -0.486 17551 3297 1 5 . 1 1 85 85 MET CB C 85 35.406 35.406 36.157 -0.751 17551 3298 1 5 . 1 1 85 85 MET H H 85 8.992 8.992 8.487 0.505 17551 3299 1 5 . 1 1 86 86 GLU N N 86 125.741 125.741 123.135 2.606 17551 3300 1 5 . 1 1 86 86 GLU HA H 86 4.654 4.654 4.609 0.045 17551 3301 1 5 . 1 1 86 86 GLU C C 86 177.223 177.223 176.591 0.632 17551 3302 1 5 . 1 1 86 86 GLU CA C 86 54.213 54.213 55.914 -1.701 17551 3303 1 5 . 1 1 86 86 GLU CB C 86 31.578 31.578 30.004 1.574 17551 3304 1 5 . 1 1 86 86 GLU H H 86 9.063 9.063 9.086 -0.023 17551 3305 1 5 . 1 1 87 87 GLY N N 87 117.720 117.720 112.924 4.796 17551 3306 1 5 . 1 1 87 87 GLY C C 87 175.275 175.275 175.369 -0.094 17551 3307 1 5 . 1 1 87 87 GLY CA C 87 46.902 46.902 44.807 2.095 17551 3308 1 5 . 1 1 87 87 GLY H H 87 9.300 9.300 8.953 0.347 17551 3309 1 5 . 1 1 88 88 GLY N N 88 109.070 109.070 105.655 3.415 17551 3310 1 5 . 1 1 88 88 GLY C C 88 172.863 172.863 173.796 -0.933 17551 3311 1 5 . 1 1 88 88 GLY CA C 88 44.853 44.853 45.043 -0.190 17551 3312 1 5 . 1 1 88 88 GLY H H 88 8.739 8.739 8.396 0.343 17551 3313 1 5 . 1 1 89 89 LYS N N 89 120.150 120.150 118.465 1.685 17551 3314 1 5 . 1 1 89 89 LYS HA H 89 5.113 5.113 5.131 -0.018 17551 3315 1 5 . 1 1 89 89 LYS C C 89 175.487 175.487 175.546 -0.059 17551 3316 1 5 . 1 1 89 89 LYS CA C 89 54.363 54.363 54.517 -0.154 17551 3317 1 5 . 1 1 89 89 LYS CB C 89 33.753 33.753 34.790 -1.037 17551 3318 1 5 . 1 1 89 89 LYS H H 89 7.853 7.853 7.528 0.325 17551 3319 1 5 . 1 1 90 90 ILE N N 90 124.537 124.537 125.940 -1.403 17551 3320 1 5 . 1 1 90 90 ILE HA H 90 4.489 4.489 4.391 0.098 17551 3321 1 5 . 1 1 90 90 ILE C C 90 175.679 175.679 175.071 0.608 17551 3322 1 5 . 1 1 90 90 ILE CA C 90 60.930 60.930 61.310 -0.380 17551 3323 1 5 . 1 1 90 90 ILE CB C 90 38.367 38.367 37.483 0.884 17551 3324 1 5 . 1 1 90 90 ILE H H 90 9.081 9.081 8.609 0.472 17551 3325 1 5 . 1 1 91 91 VAL N N 91 124.871 124.871 128.434 -3.563 17551 3326 1 5 . 1 1 91 91 VAL HA H 91 4.591 4.591 5.292 -0.701 17551 3327 1 5 . 1 1 91 91 VAL C C 91 173.890 173.890 173.505 0.385 17551 3328 1 5 . 1 1 91 91 VAL CA C 91 60.743 60.743 58.606 2.137 17551 3329 1 5 . 1 1 91 91 VAL CB C 91 35.279 35.279 35.611 -0.332 17551 3330 1 5 . 1 1 91 91 VAL H H 91 8.786 8.786 8.835 -0.049 17551 3331 1 5 . 1 1 92 92 ALA N N 92 129.590 129.590 130.473 -0.883 17551 3332 1 5 . 1 1 92 92 ALA HA H 92 4.563 4.563 4.676 -0.113 17551 3333 1 5 . 1 1 92 92 ALA C C 92 173.855 173.855 175.227 -1.372 17551 3334 1 5 . 1 1 92 92 ALA CA C 92 49.864 49.864 49.810 0.054 17551 3335 1 5 . 1 1 92 92 ALA CB C 92 21.948 21.948 22.085 -0.137 17551 3336 1 5 . 1 1 92 92 ALA H H 92 9.228 9.228 8.993 0.235 17551 3337 1 5 . 1 1 93 93 ASP N N 93 121.654 121.654 122.149 -0.495 17551 3338 1 5 . 1 1 93 93 ASP HA H 93 5.342 5.342 4.816 0.526 17551 3339 1 5 . 1 1 93 93 ASP C C 93 173.521 173.521 174.675 -1.154 17551 3340 1 5 . 1 1 93 93 ASP CA C 93 53.658 53.658 53.923 -0.265 17551 3341 1 5 . 1 1 93 93 ASP CB C 93 44.462 44.462 42.287 2.175 17551 3342 1 5 . 1 1 93 93 ASP H H 93 8.326 8.326 7.744 0.582 17551 3343 1 5 . 1 1 94 94 PHE N N 94 122.296 122.296 123.256 -0.960 17551 3344 1 5 . 1 1 94 94 PHE HA H 94 5.024 5.024 4.824 0.200 17551 3345 1 5 . 1 1 94 94 PHE CA C 94 53.952 53.952 55.614 -1.662 17551 3346 1 5 . 1 1 94 94 PHE CB C 94 38.958 38.958 42.549 -3.591 17551 3347 1 5 . 1 1 94 94 PHE H H 94 8.776 8.776 7.871 0.905 17551 3348 1 5 . 1 1 95 95 PRO HA H 95 4.396 4.396 4.505 -0.109 17551 3349 1 5 . 1 1 95 95 PRO C C 95 177.375 177.375 176.556 0.819 17551 3350 1 5 . 1 1 95 95 PRO CA C 95 64.386 64.386 63.870 0.516 17551 3351 1 5 . 1 1 95 95 PRO CB C 95 30.432 30.432 31.204 -0.772 17551 3352 1 5 . 1 1 96 96 ASN N N 96 120.924 120.924 117.786 3.138 17551 3353 1 5 . 1 1 96 96 ASN HA H 96 4.619 4.619 4.409 0.210 17551 3354 1 5 . 1 1 96 96 ASN C C 96 174.189 174.189 173.805 0.384 17551 3355 1 5 . 1 1 96 96 ASN CA C 96 53.442 53.442 54.916 -1.474 17551 3356 1 5 . 1 1 96 96 ASN CB C 96 38.069 38.069 37.643 0.426 17551 3357 1 5 . 1 1 96 96 ASN H H 96 9.183 9.183 9.030 0.153 17551 3358 1 5 . 1 1 97 97 TYR N N 97 120.943 120.943 119.955 0.988 17551 3359 1 5 . 1 1 97 97 TYR HA H 97 4.804 4.804 5.751 -0.947 17551 3360 1 5 . 1 1 97 97 TYR C C 97 172.713 172.713 173.772 -1.059 17551 3361 1 5 . 1 1 97 97 TYR CA C 97 59.314 59.314 56.511 2.804 17551 3362 1 5 . 1 1 97 97 TYR CB C 97 40.512 40.512 41.731 -1.219 17551 3363 1 5 . 1 1 97 97 TYR H H 97 8.066 8.066 7.416 0.650 17551 3364 1 5 . 1 1 98 98 HIS N N 98 128.370 128.370 128.374 -0.004 17551 3365 1 5 . 1 1 98 98 HIS HA H 98 5.466 5.466 5.147 0.319 17551 3366 1 5 . 1 1 98 98 HIS C C 98 172.821 172.821 173.295 -0.474 17551 3367 1 5 . 1 1 98 98 HIS CA C 98 54.311 54.311 54.580 -0.269 17551 3368 1 5 . 1 1 98 98 HIS CB C 98 31.053 31.053 31.626 -0.573 17551 3369 1 5 . 1 1 98 98 HIS H H 98 8.786 8.786 8.503 0.283 17551 3370 1 5 . 1 1 99 99 HIS N N 99 130.146 130.146 129.356 0.790 17551 3371 1 5 . 1 1 99 99 HIS HA H 99 5.689 5.689 5.334 0.355 17551 3372 1 5 . 1 1 99 99 HIS C C 99 173.405 173.405 173.899 -0.494 17551 3373 1 5 . 1 1 99 99 HIS CA C 99 55.101 55.101 54.486 0.615 17551 3374 1 5 . 1 1 99 99 HIS CB C 99 34.888 34.888 31.297 3.591 17551 3375 1 5 . 1 1 99 99 HIS H H 99 8.963 8.963 8.275 0.688 17551 3376 1 5 . 1 1 100 100 THR N N 100 117.843 117.843 119.567 -1.724 17551 3377 1 5 . 1 1 100 100 THR HA H 100 5.597 5.597 5.516 0.081 17551 3378 1 5 . 1 1 100 100 THR C C 100 172.563 172.563 172.662 -0.099 17551 3379 1 5 . 1 1 100 100 THR CA C 100 57.863 57.863 59.758 -1.895 17551 3380 1 5 . 1 1 100 100 THR CB C 100 71.830 71.830 71.688 0.142 17551 3381 1 5 . 1 1 100 100 THR H H 100 8.871 8.871 8.532 0.339 17551 3382 1 5 . 1 1 101 101 ALA N N 101 121.591 121.591 127.193 -5.602 17551 3383 1 5 . 1 1 101 101 ALA HA H 101 5.318 5.318 4.984 0.334 17551 3384 1 5 . 1 1 101 101 ALA C C 101 175.540 175.540 175.442 0.098 17551 3385 1 5 . 1 1 101 101 ALA CA C 101 50.320 50.320 50.370 -0.050 17551 3386 1 5 . 1 1 101 101 ALA CB C 101 22.819 22.819 21.788 1.031 17551 3387 1 5 . 1 1 101 101 ALA H H 101 8.825 8.825 8.840 -0.015 17551 3388 1 5 . 1 1 102 102 GLU N N 102 118.491 118.491 121.202 -2.711 17551 3389 1 5 . 1 1 102 102 GLU HA H 102 5.194 5.194 5.060 0.134 17551 3390 1 5 . 1 1 102 102 GLU C C 102 172.497 172.497 174.252 -1.755 17551 3391 1 5 . 1 1 102 102 GLU CA C 102 53.879 53.879 54.757 -0.878 17551 3392 1 5 . 1 1 102 102 GLU H H 102 8.785 8.785 8.093 0.692 17551 3393 1 5 . 1 1 103 103 ILE N N 103 121.813 121.813 120.695 1.118 17551 3394 1 5 . 1 1 103 103 ILE HA H 103 5.129 5.129 5.091 0.038 17551 3395 1 5 . 1 1 103 103 ILE C C 103 177.119 177.119 175.819 1.300 17551 3396 1 5 . 1 1 103 103 ILE CA C 103 56.631 56.631 59.464 -2.833 17551 3397 1 5 . 1 1 103 103 ILE CB C 103 34.564 34.564 37.772 -3.208 17551 3398 1 5 . 1 1 103 103 ILE H H 103 8.442 8.442 8.591 -0.149 17551 3399 1 5 . 1 1 104 104 SER N N 104 122.295 122.295 123.638 -1.343 17551 3400 1 5 . 1 1 104 104 SER HA H 104 4.783 4.783 4.652 0.131 17551 3401 1 5 . 1 1 104 104 SER CA C 104 55.521 55.521 57.434 -1.913 17551 3402 1 5 . 1 1 104 104 SER CB C 104 63.426 63.426 63.932 -0.506 17551 3403 1 5 . 1 1 104 104 SER H H 104 9.119 9.119 9.084 0.035 17551 3404 1 5 . 1 1 105 105 GLY C C 105 175.730 175.730 174.999 0.731 17551 3405 1 5 . 1 1 105 105 GLY CA C 105 46.925 46.925 44.846 2.079 17551 3406 1 5 . 1 1 106 106 GLY N N 106 105.123 105.123 105.887 -0.764 17551 3407 1 5 . 1 1 106 106 GLY C C 106 173.229 173.229 173.682 -0.453 17551 3408 1 5 . 1 1 106 106 GLY CA C 106 44.771 44.771 45.060 -0.289 17551 3409 1 5 . 1 1 106 106 GLY H H 106 8.476 8.476 8.266 0.210 17551 3410 1 5 . 1 1 107 107 LYS N N 107 119.187 119.187 117.971 1.216 17551 3411 1 5 . 1 1 107 107 LYS HA H 107 4.856 4.856 4.694 0.162 17551 3412 1 5 . 1 1 107 107 LYS C C 107 174.072 174.072 174.354 -0.282 17551 3413 1 5 . 1 1 107 107 LYS CA C 107 54.240 54.240 54.733 -0.493 17551 3414 1 5 . 1 1 107 107 LYS CB C 107 34.508 34.508 36.132 -1.624 17551 3415 1 5 . 1 1 107 107 LYS H H 107 7.639 7.639 7.387 0.252 17551 3416 1 5 . 1 1 108 108 LEU N N 108 122.725 122.725 126.279 -3.554 17551 3417 1 5 . 1 1 108 108 LEU HA H 108 4.793 4.793 4.992 -0.199 17551 3418 1 5 . 1 1 108 108 LEU C C 108 174.906 174.906 174.924 -0.018 17551 3419 1 5 . 1 1 108 108 LEU CA C 108 54.275 54.275 54.344 -0.070 17551 3420 1 5 . 1 1 108 108 LEU CB C 108 42.801 42.801 42.476 0.325 17551 3421 1 5 . 1 1 108 108 LEU H H 108 8.481 8.481 8.598 -0.117 17551 3422 1 5 . 1 1 109 109 VAL N N 109 130.844 130.844 126.873 3.971 17551 3423 1 5 . 1 1 109 109 VAL HA H 109 4.953 4.953 4.908 0.045 17551 3424 1 5 . 1 1 109 109 VAL C C 109 176.004 176.004 174.123 1.881 17551 3425 1 5 . 1 1 109 109 VAL CA C 109 61.541 61.541 59.876 1.665 17551 3426 1 5 . 1 1 109 109 VAL CB C 109 32.721 32.721 33.741 -1.020 17551 3427 1 5 . 1 1 109 109 VAL H H 109 9.391 9.391 8.829 0.562 17551 3428 1 5 . 1 1 110 110 GLU N N 110 130.618 130.618 129.797 0.821 17551 3429 1 5 . 1 1 110 110 GLU HA H 110 5.393 5.393 5.150 0.243 17551 3430 1 5 . 1 1 110 110 GLU C C 110 175.537 175.537 174.734 0.803 17551 3431 1 5 . 1 1 110 110 GLU CA C 110 53.476 53.476 54.189 -0.713 17551 3432 1 5 . 1 1 110 110 GLU H H 110 9.386 9.386 8.610 0.776 17551 3433 1 5 . 1 1 111 111 ILE N N 111 126.952 126.952 127.439 -0.487 17551 3434 1 5 . 1 1 111 111 ILE HA H 111 4.910 4.910 4.800 0.110 17551 3435 1 5 . 1 1 111 111 ILE C C 111 175.156 175.156 174.802 0.354 17551 3436 1 5 . 1 1 111 111 ILE CA C 111 59.562 59.562 60.148 -0.586 17551 3437 1 5 . 1 1 111 111 ILE CB C 111 39.029 39.029 40.169 -1.140 17551 3438 1 5 . 1 1 111 111 ILE H H 111 8.912 8.912 8.901 0.011 17551 3439 1 5 . 1 1 112 112 SER N N 112 125.389 125.389 123.489 1.900 17551 3440 1 5 . 1 1 112 112 SER HA H 112 5.524 5.524 5.694 -0.170 17551 3441 1 5 . 1 1 112 112 SER C C 112 172.120 172.120 174.483 -2.363 17551 3442 1 5 . 1 1 112 112 SER CA C 112 55.756 55.756 56.070 -0.314 17551 3443 1 5 . 1 1 112 112 SER CB C 112 64.025 64.025 64.928 -0.903 17551 3444 1 5 . 1 1 112 112 SER H H 112 9.495 9.495 9.150 0.345 17551 3445 1 5 . 1 1 113 113 THR N N 113 119.329 119.329 121.744 -2.415 17551 3446 1 5 . 1 1 113 113 THR HA H 113 5.633 5.633 5.146 0.487 17551 3447 1 5 . 1 1 113 113 THR C C 113 174.911 174.911 174.384 0.527 17551 3448 1 5 . 1 1 113 113 THR CA C 113 60.362 60.362 61.830 -1.468 17551 3449 1 5 . 1 1 113 113 THR CB C 113 70.377 70.377 69.798 0.579 17551 3450 1 5 . 1 1 113 113 THR H H 113 9.274 9.274 8.614 0.660 17551 3451 1 5 . 1 1 114 114 SER N N 114 121.027 121.027 120.500 0.527 17551 3452 1 5 . 1 1 114 114 SER HA H 114 4.479 4.479 5.213 -0.734 17551 3453 1 5 . 1 1 114 114 SER C C 114 174.507 174.507 174.899 -0.392 17551 3454 1 5 . 1 1 114 114 SER CA C 114 57.423 57.423 56.706 0.717 17551 3455 1 5 . 1 1 114 114 SER CB C 114 64.798 64.798 63.834 0.964 17551 3456 1 5 . 1 1 114 114 SER H H 114 8.657 8.657 8.998 -0.341 17551 3457 1 5 . 1 1 115 115 SER N N 115 122.405 122.405 122.008 0.397 17551 3458 1 5 . 1 1 115 115 SER HA H 115 4.092 4.092 3.960 0.132 17551 3459 1 5 . 1 1 115 115 SER C C 115 174.387 174.387 174.062 0.325 17551 3460 1 5 . 1 1 115 115 SER CA C 115 58.417 58.417 59.647 -1.230 17551 3461 1 5 . 1 1 115 115 SER CB C 115 61.860 61.860 61.986 -0.126 17551 3462 1 5 . 1 1 115 115 SER H H 115 9.265 9.265 9.270 -0.005 17551 3463 1 5 . 1 1 116 116 GLY N N 116 103.741 103.741 104.595 -0.854 17551 3464 1 5 . 1 1 116 116 GLY C C 116 173.618 173.618 174.053 -0.435 17551 3465 1 5 . 1 1 116 116 GLY CA C 116 44.584 44.584 44.586 -0.002 17551 3466 1 5 . 1 1 116 116 GLY H H 116 8.730 8.730 8.350 0.380 17551 3467 1 5 . 1 1 117 117 VAL N N 117 123.819 123.819 124.755 -0.936 17551 3468 1 5 . 1 1 117 117 VAL HA H 117 4.242 4.242 4.181 0.061 17551 3469 1 5 . 1 1 117 117 VAL C C 117 173.712 173.712 175.185 -1.473 17551 3470 1 5 . 1 1 117 117 VAL CA C 117 61.946 61.946 62.294 -0.348 17551 3471 1 5 . 1 1 117 117 VAL CB C 117 32.244 32.244 31.968 0.276 17551 3472 1 5 . 1 1 117 117 VAL H H 117 8.177 8.177 7.908 0.269 17551 3473 1 5 . 1 1 118 118 VAL N N 118 127.074 127.074 128.521 -1.447 17551 3474 1 5 . 1 1 118 118 VAL HA H 118 4.519 4.519 4.159 0.360 17551 3475 1 5 . 1 1 118 118 VAL C C 118 174.793 174.793 174.879 -0.086 17551 3476 1 5 . 1 1 118 118 VAL CA C 118 61.227 61.227 61.324 -0.097 17551 3477 1 5 . 1 1 118 118 VAL CB C 118 32.503 32.503 30.931 1.572 17551 3478 1 5 . 1 1 118 118 VAL H H 118 8.441 8.441 8.564 -0.123 17551 3479 1 5 . 1 1 119 119 TYR N N 119 131.178 131.178 130.811 0.367 17551 3480 1 5 . 1 1 119 119 TYR HA H 119 5.095 5.095 4.809 0.286 17551 3481 1 5 . 1 1 119 119 TYR C C 119 173.029 173.029 173.533 -0.504 17551 3482 1 5 . 1 1 119 119 TYR CA C 119 54.862 54.862 56.260 -1.398 17551 3483 1 5 . 1 1 119 119 TYR CB C 119 40.213 40.213 40.898 -0.685 17551 3484 1 5 . 1 1 119 119 TYR H H 119 9.315 9.315 9.104 0.211 17551 3485 1 5 . 1 1 120 120 LYS N N 120 126.654 126.654 127.215 -0.561 17551 3486 1 5 . 1 1 120 120 LYS HA H 120 4.922 4.922 5.274 -0.352 17551 3487 1 5 . 1 1 120 120 LYS C C 120 173.813 173.813 174.586 -0.773 17551 3488 1 5 . 1 1 120 120 LYS CA C 120 53.685 53.685 54.150 -0.465 17551 3489 1 5 . 1 1 120 120 LYS CB C 120 36.014 36.014 36.379 -0.365 17551 3490 1 5 . 1 1 120 120 LYS H H 120 7.342 7.342 8.331 -0.989 17551 3491 1 5 . 1 1 121 121 ARG N N 121 124.124 124.124 121.567 2.557 17551 3492 1 5 . 1 1 121 121 ARG HA H 121 4.798 4.798 4.999 -0.201 17551 3493 1 5 . 1 1 121 121 ARG C C 121 174.874 174.874 174.869 0.005 17551 3494 1 5 . 1 1 121 121 ARG CB C 121 34.257 34.257 33.055 1.202 17551 3495 1 5 . 1 1 121 121 ARG H H 121 9.087 9.087 8.869 0.218 17551 3496 1 5 . 1 1 122 122 THR N N 122 122.859 122.859 122.302 0.557 17551 3497 1 5 . 1 1 122 122 THR HA H 122 5.224 5.224 5.256 -0.032 17551 3498 1 5 . 1 1 122 122 THR C C 122 174.321 174.321 174.105 0.216 17551 3499 1 5 . 1 1 122 122 THR CA C 122 62.177 62.177 61.966 0.211 17551 3500 1 5 . 1 1 122 122 THR CB C 122 69.459 69.459 70.247 -0.788 17551 3501 1 5 . 1 1 122 122 THR H H 122 9.358 9.358 8.827 0.531 17551 3502 1 5 . 1 1 123 123 SER N N 123 123.389 123.389 122.403 0.986 17551 3503 1 5 . 1 1 123 123 SER HA H 123 5.196 5.196 5.484 -0.288 17551 3504 1 5 . 1 1 123 123 SER C C 123 172.464 172.464 173.553 -1.089 17551 3505 1 5 . 1 1 123 123 SER CA C 123 57.571 57.571 56.836 0.736 17551 3506 1 5 . 1 1 123 123 SER CB C 123 65.697 65.697 66.268 -0.571 17551 3507 1 5 . 1 1 123 123 SER H H 123 9.749 9.749 9.351 0.398 17551 3508 1 5 . 1 1 124 124 LYS N N 124 125.058 125.058 122.509 2.549 17551 3509 1 5 . 1 1 124 124 LYS HA H 124 4.681 4.681 4.495 0.186 17551 3510 1 5 . 1 1 124 124 LYS C C 124 175.141 175.141 175.633 -0.492 17551 3511 1 5 . 1 1 124 124 LYS CA C 124 54.444 54.444 55.762 -1.318 17551 3512 1 5 . 1 1 124 124 LYS CB C 124 33.492 33.492 33.697 -0.205 17551 3513 1 5 . 1 1 124 124 LYS H H 124 8.808 8.808 8.252 0.556 17551 3514 1 5 . 1 1 125 125 LYS N N 125 126.114 126.114 124.317 1.797 17551 3515 1 5 . 1 1 125 125 LYS HA H 125 4.367 4.367 4.690 -0.323 17551 3516 1 5 . 1 1 125 125 LYS C C 125 176.828 176.828 175.495 1.333 17551 3517 1 5 . 1 1 125 125 LYS CA C 125 56.752 56.752 55.140 1.612 17551 3518 1 5 . 1 1 125 125 LYS CB C 125 32.912 32.912 32.505 0.407 17551 3519 1 5 . 1 1 125 125 LYS H H 125 9.215 9.215 8.621 0.594 17551 3520 1 5 . 1 1 126 126 ILE N N 126 125.207 125.207 124.460 0.747 17551 3521 1 5 . 1 1 126 126 ILE HA H 126 4.302 4.302 4.563 -0.261 17551 3522 1 5 . 1 1 126 126 ILE C C 126 175.240 175.240 173.691 1.549 17551 3523 1 5 . 1 1 126 126 ILE CA C 126 60.067 60.067 59.672 0.395 17551 3524 1 5 . 1 1 126 126 ILE CB C 126 38.611 38.611 41.922 -3.311 17551 3525 1 5 . 1 1 126 126 ILE H H 126 8.777 8.777 8.690 0.087 17551 3526 1 6 . 1 1 2 2 PHE N N 2 114.421 114.421 118.976 -4.555 17551 3527 1 6 . 1 1 2 2 PHE HA H 2 4.205 4.205 4.918 -0.713 17551 3528 1 6 . 1 1 2 2 PHE C C 2 177.675 177.675 176.886 0.789 17551 3529 1 6 . 1 1 2 2 PHE CA C 2 59.748 59.748 57.624 2.124 17551 3530 1 6 . 1 1 2 2 PHE CB C 2 41.014 41.014 39.687 1.327 17551 3531 1 6 . 1 1 2 2 PHE H H 2 9.501 9.501 8.430 1.071 17551 3532 1 6 . 1 1 3 3 THR N N 3 118.304 118.304 116.551 1.753 17551 3533 1 6 . 1 1 3 3 THR HA H 3 4.021 4.021 4.427 -0.406 17551 3534 1 6 . 1 1 3 3 THR C C 3 173.811 173.811 174.523 -0.712 17551 3535 1 6 . 1 1 3 3 THR CA C 3 63.646 63.646 64.549 -0.903 17551 3536 1 6 . 1 1 3 3 THR CB C 3 69.230 69.230 69.070 0.160 17551 3537 1 6 . 1 1 3 3 THR H H 3 7.721 7.721 8.315 -0.594 17551 3538 1 6 . 1 1 4 4 GLY N N 4 113.320 113.320 111.752 1.568 17551 3539 1 6 . 1 1 4 4 GLY C C 4 169.382 169.382 171.845 -2.463 17551 3540 1 6 . 1 1 4 4 GLY CA C 4 44.343 44.343 44.632 -0.289 17551 3541 1 6 . 1 1 4 4 GLY H H 4 8.881 8.881 8.406 0.475 17551 3542 1 6 . 1 1 5 5 LYS N N 5 120.330 120.330 120.234 0.096 17551 3543 1 6 . 1 1 5 5 LYS HA H 5 5.255 5.255 5.197 0.058 17551 3544 1 6 . 1 1 5 5 LYS C C 5 174.306 174.306 174.735 -0.429 17551 3545 1 6 . 1 1 5 5 LYS CA C 5 54.232 54.232 54.330 -0.098 17551 3546 1 6 . 1 1 5 5 LYS CB C 5 35.137 35.137 35.172 -0.035 17551 3547 1 6 . 1 1 5 5 LYS H H 5 7.914 7.914 7.952 -0.038 17551 3548 1 6 . 1 1 6 6 TYR N N 6 122.260 122.260 122.247 0.013 17551 3549 1 6 . 1 1 6 6 TYR HA H 6 5.617 5.617 5.780 -0.163 17551 3550 1 6 . 1 1 6 6 TYR C C 6 174.519 174.519 175.455 -0.936 17551 3551 1 6 . 1 1 6 6 TYR CA C 6 55.158 55.158 56.121 -0.963 17551 3552 1 6 . 1 1 6 6 TYR CB C 6 41.637 41.637 42.524 -0.887 17551 3553 1 6 . 1 1 6 6 TYR H H 6 9.736 9.736 8.874 0.862 17551 3554 1 6 . 1 1 7 7 GLU N N 7 122.025 122.025 121.292 0.733 17551 3555 1 6 . 1 1 7 7 GLU HA H 7 5.096 5.096 5.176 -0.080 17551 3556 1 6 . 1 1 7 7 GLU C C 7 174.888 174.888 175.528 -0.640 17551 3557 1 6 . 1 1 7 7 GLU CA C 7 53.988 53.988 54.038 -0.050 17551 3558 1 6 . 1 1 7 7 GLU CB C 7 33.716 33.716 34.304 -0.588 17551 3559 1 6 . 1 1 7 7 GLU H H 7 9.461 9.461 8.712 0.749 17551 3560 1 6 . 1 1 8 8 PHE N N 8 126.529 126.529 125.584 0.945 17551 3561 1 6 . 1 1 8 8 PHE HA H 8 4.599 4.599 4.325 0.274 17551 3562 1 6 . 1 1 8 8 PHE C C 8 172.999 172.999 174.957 -1.958 17551 3563 1 6 . 1 1 8 8 PHE CA C 8 59.847 59.847 59.381 0.466 17551 3564 1 6 . 1 1 8 8 PHE CB C 8 40.687 40.687 39.243 1.444 17551 3565 1 6 . 1 1 8 8 PHE H H 8 7.986 7.986 8.543 -0.557 17551 3566 1 6 . 1 1 9 9 GLU N N 9 129.046 129.046 128.069 0.977 17551 3567 1 6 . 1 1 9 9 GLU HA H 9 4.306 4.306 4.272 0.034 17551 3568 1 6 . 1 1 9 9 GLU C C 9 174.528 174.528 175.585 -1.057 17551 3569 1 6 . 1 1 9 9 GLU CA C 9 56.545 56.545 56.591 -0.046 17551 3570 1 6 . 1 1 9 9 GLU CB C 9 32.798 32.798 32.238 0.560 17551 3571 1 6 . 1 1 9 9 GLU H H 9 9.151 9.151 8.718 0.433 17551 3572 1 6 . 1 1 10 10 SER N N 10 111.041 111.041 113.783 -2.742 17551 3573 1 6 . 1 1 10 10 SER HA H 10 4.258 4.258 4.731 -0.473 17551 3574 1 6 . 1 1 10 10 SER C C 10 171.216 171.216 172.196 -0.980 17551 3575 1 6 . 1 1 10 10 SER CA C 10 57.930 57.930 57.479 0.451 17551 3576 1 6 . 1 1 10 10 SER CB C 10 64.720 64.720 66.367 -1.647 17551 3577 1 6 . 1 1 10 10 SER H H 10 7.612 7.612 7.962 -0.350 17551 3578 1 6 . 1 1 11 11 ASP N N 11 118.058 118.058 119.405 -1.347 17551 3579 1 6 . 1 1 11 11 ASP HA H 11 5.500 5.500 5.512 -0.012 17551 3580 1 6 . 1 1 11 11 ASP C C 11 174.845 174.845 174.976 -0.131 17551 3581 1 6 . 1 1 11 11 ASP CA C 11 51.633 51.633 53.137 -1.504 17551 3582 1 6 . 1 1 11 11 ASP H H 11 8.632 8.632 8.463 0.169 17551 3583 1 6 . 1 1 12 12 GLU N N 12 117.523 117.523 120.696 -3.173 17551 3584 1 6 . 1 1 12 12 GLU HA H 12 4.782 4.782 4.663 0.119 17551 3585 1 6 . 1 1 12 12 GLU C C 12 175.293 175.293 176.032 -0.739 17551 3586 1 6 . 1 1 12 12 GLU CB C 12 33.450 33.450 32.982 0.468 17551 3587 1 6 . 1 1 12 12 GLU H H 12 8.562 8.562 8.906 -0.344 17551 3588 1 6 . 1 1 13 13 ASN N N 13 118.877 118.877 122.300 -3.423 17551 3589 1 6 . 1 1 13 13 ASN HA H 13 4.742 4.742 4.487 0.255 17551 3590 1 6 . 1 1 13 13 ASN C C 13 175.303 175.303 175.513 -0.210 17551 3591 1 6 . 1 1 13 13 ASN CA C 13 53.373 53.373 54.578 -1.205 17551 3592 1 6 . 1 1 13 13 ASN CB C 13 37.207 37.207 37.136 0.071 17551 3593 1 6 . 1 1 13 13 ASN H H 13 9.110 9.110 9.189 -0.079 17551 3594 1 6 . 1 1 14 14 TYR N N 14 118.061 118.061 120.825 -2.764 17551 3595 1 6 . 1 1 14 14 TYR HA H 14 4.015 4.015 4.093 -0.078 17551 3596 1 6 . 1 1 14 14 TYR C C 14 176.581 176.581 176.502 0.079 17551 3597 1 6 . 1 1 14 14 TYR CA C 14 62.797 62.797 63.305 -0.508 17551 3598 1 6 . 1 1 14 14 TYR CB C 14 38.998 38.998 38.623 0.375 17551 3599 1 6 . 1 1 14 14 TYR H H 14 8.731 8.731 8.115 0.616 17551 3600 1 6 . 1 1 15 15 ASP N N 15 115.317 115.317 118.195 -2.878 17551 3601 1 6 . 1 1 15 15 ASP HA H 15 4.112 4.112 4.330 -0.218 17551 3602 1 6 . 1 1 15 15 ASP C C 15 178.333 178.333 178.193 0.140 17551 3603 1 6 . 1 1 15 15 ASP CA C 15 57.819 57.819 59.064 -1.245 17551 3604 1 6 . 1 1 15 15 ASP CB C 15 40.410 40.410 40.248 0.162 17551 3605 1 6 . 1 1 15 15 ASP H H 15 8.316 8.316 9.137 -0.821 17551 3606 1 6 . 1 1 16 16 ASP N N 16 117.774 117.774 119.586 -1.812 17551 3607 1 6 . 1 1 16 16 ASP HA H 16 4.392 4.392 4.390 0.002 17551 3608 1 6 . 1 1 16 16 ASP C C 16 178.597 178.597 177.996 0.601 17551 3609 1 6 . 1 1 16 16 ASP CA C 16 56.348 56.348 57.594 -1.246 17551 3610 1 6 . 1 1 16 16 ASP CB C 16 39.883 39.883 41.018 -1.135 17551 3611 1 6 . 1 1 16 16 ASP H H 16 8.449 8.449 8.273 0.176 17551 3612 1 6 . 1 1 17 17 PHE N N 17 120.363 120.363 120.621 -0.258 17551 3613 1 6 . 1 1 17 17 PHE HA H 17 4.068 4.068 4.062 0.006 17551 3614 1 6 . 1 1 17 17 PHE C C 17 176.755 176.755 176.913 -0.158 17551 3615 1 6 . 1 1 17 17 PHE CA C 17 61.840 61.840 61.395 0.445 17551 3616 1 6 . 1 1 17 17 PHE CB C 17 39.794 39.794 39.031 0.763 17551 3617 1 6 . 1 1 17 17 PHE H H 17 7.931 7.931 7.932 -0.001 17551 3618 1 6 . 1 1 18 18 VAL N N 18 110.180 110.180 117.072 -6.892 17551 3619 1 6 . 1 1 18 18 VAL HA H 18 3.595 3.595 3.387 0.208 17551 3620 1 6 . 1 1 18 18 VAL C C 18 178.434 178.434 177.622 0.812 17551 3621 1 6 . 1 1 18 18 VAL CA C 18 64.697 64.697 66.533 -1.836 17551 3622 1 6 . 1 1 18 18 VAL CB C 18 29.602 29.602 31.222 -1.620 17551 3623 1 6 . 1 1 18 18 VAL H H 18 8.294 8.294 8.341 -0.047 17551 3624 1 6 . 1 1 19 19 LYS N N 19 119.749 119.749 118.304 1.445 17551 3625 1 6 . 1 1 19 19 LYS HA H 19 4.108 4.108 4.080 0.028 17551 3626 1 6 . 1 1 19 19 LYS C C 19 179.796 179.796 178.877 0.919 17551 3627 1 6 . 1 1 19 19 LYS CA C 19 58.320 58.320 58.546 -0.226 17551 3628 1 6 . 1 1 19 19 LYS CB C 19 31.918 31.918 32.051 -0.133 17551 3629 1 6 . 1 1 19 19 LYS H H 19 7.382 7.382 8.313 -0.931 17551 3630 1 6 . 1 1 20 20 LYS N N 20 121.187 121.187 119.935 1.252 17551 3631 1 6 . 1 1 20 20 LYS HA H 20 4.071 4.071 4.130 -0.059 17551 3632 1 6 . 1 1 20 20 LYS C C 20 179.071 179.071 178.540 0.531 17551 3633 1 6 . 1 1 20 20 LYS CA C 20 57.347 57.347 58.225 -0.878 17551 3634 1 6 . 1 1 20 20 LYS CB C 20 30.633 30.633 32.544 -1.911 17551 3635 1 6 . 1 1 20 20 LYS H H 20 7.718 7.718 7.363 0.355 17551 3636 1 6 . 1 1 21 21 ILE N N 21 109.363 109.363 111.646 -2.283 17551 3637 1 6 . 1 1 21 21 ILE HA H 21 4.212 4.212 4.052 0.160 17551 3638 1 6 . 1 1 21 21 ILE C C 21 176.366 176.366 176.031 0.335 17551 3639 1 6 . 1 1 21 21 ILE CA C 21 61.610 61.610 61.545 0.065 17551 3640 1 6 . 1 1 21 21 ILE CB C 21 36.968 36.968 38.016 -1.048 17551 3641 1 6 . 1 1 21 21 ILE H H 21 7.591 7.591 7.657 -0.066 17551 3642 1 6 . 1 1 22 22 GLY N N 22 107.961 107.961 108.203 -0.242 17551 3643 1 6 . 1 1 22 22 GLY C C 22 174.877 174.877 174.698 0.179 17551 3644 1 6 . 1 1 22 22 GLY CA C 22 45.510 45.510 44.888 0.622 17551 3645 1 6 . 1 1 22 22 GLY H H 22 7.260 7.260 7.385 -0.125 17551 3646 1 6 . 1 1 23 23 LEU N N 23 120.597 120.597 122.484 -1.887 17551 3647 1 6 . 1 1 23 23 LEU HA H 23 4.207 4.207 4.501 -0.294 17551 3648 1 6 . 1 1 23 23 LEU CA C 23 52.923 52.923 52.509 0.414 17551 3649 1 6 . 1 1 23 23 LEU CB C 23 42.241 42.241 42.726 -0.485 17551 3650 1 6 . 1 1 23 23 LEU H H 23 7.314 7.314 7.789 -0.475 17551 3651 1 6 . 1 1 24 24 PRO HA H 24 4.537 4.537 4.513 0.024 17551 3652 1 6 . 1 1 24 24 PRO C C 24 177.702 177.702 177.271 0.431 17551 3653 1 6 . 1 1 24 24 PRO CA C 24 61.891 61.891 62.276 -0.385 17551 3654 1 6 . 1 1 24 24 PRO CB C 24 32.260 32.260 32.727 -0.467 17551 3655 1 6 . 1 1 25 25 ALA N N 25 123.142 123.142 127.720 -4.578 17551 3656 1 6 . 1 1 25 25 ALA HA H 25 3.935 3.935 3.992 -0.057 17551 3657 1 6 . 1 1 25 25 ALA C C 25 179.461 179.461 179.485 -0.024 17551 3658 1 6 . 1 1 25 25 ALA CA C 25 55.314 55.314 55.677 -0.363 17551 3659 1 6 . 1 1 25 25 ALA CB C 25 18.220 18.220 18.529 -0.309 17551 3660 1 6 . 1 1 25 25 ALA H H 25 8.738 8.738 8.736 0.002 17551 3661 1 6 . 1 1 26 26 ASP N N 26 115.440 115.440 117.243 -1.803 17551 3662 1 6 . 1 1 26 26 ASP HA H 26 4.379 4.379 4.436 -0.057 17551 3663 1 6 . 1 1 26 26 ASP C C 26 179.291 179.291 178.485 0.806 17551 3664 1 6 . 1 1 26 26 ASP CA C 26 56.015 56.015 57.456 -1.441 17551 3665 1 6 . 1 1 26 26 ASP CB C 26 38.136 38.136 40.405 -2.269 17551 3666 1 6 . 1 1 26 26 ASP H H 26 8.971 8.971 8.759 0.212 17551 3667 1 6 . 1 1 27 27 LYS N N 27 122.292 122.292 118.581 3.711 17551 3668 1 6 . 1 1 27 27 LYS HA H 27 4.160 4.160 4.312 -0.152 17551 3669 1 6 . 1 1 27 27 LYS C C 27 177.758 177.758 178.630 -0.872 17551 3670 1 6 . 1 1 27 27 LYS CA C 27 58.022 58.022 57.378 0.644 17551 3671 1 6 . 1 1 27 27 LYS CB C 27 31.334 31.334 32.556 -1.222 17551 3672 1 6 . 1 1 27 27 LYS H H 27 7.434 7.434 7.670 -0.236 17551 3673 1 6 . 1 1 28 28 ILE N N 28 119.737 119.737 122.244 -2.507 17551 3674 1 6 . 1 1 28 28 ILE HA H 28 3.586 3.586 3.842 -0.256 17551 3675 1 6 . 1 1 28 28 ILE C C 28 180.386 180.386 177.143 3.243 17551 3676 1 6 . 1 1 28 28 ILE CA C 28 65.027 65.027 65.453 -0.426 17551 3677 1 6 . 1 1 28 28 ILE CB C 28 37.002 37.002 38.226 -1.224 17551 3678 1 6 . 1 1 28 28 ILE H H 28 8.016 8.016 8.378 -0.362 17551 3679 1 6 . 1 1 29 29 GLU N N 29 117.216 117.216 116.332 0.884 17551 3680 1 6 . 1 1 29 29 GLU HA H 29 4.294 4.294 4.173 0.121 17551 3681 1 6 . 1 1 29 29 GLU C C 29 179.024 179.024 179.149 -0.125 17551 3682 1 6 . 1 1 29 29 GLU CA C 29 58.139 58.139 58.292 -0.153 17551 3683 1 6 . 1 1 29 29 GLU CB C 29 28.028 28.028 29.738 -1.710 17551 3684 1 6 . 1 1 29 29 GLU H H 29 7.755 7.755 8.248 -0.493 17551 3685 1 6 . 1 1 30 30 MET N N 30 119.183 119.183 120.292 -1.109 17551 3686 1 6 . 1 1 30 30 MET HA H 30 4.194 4.194 4.444 -0.250 17551 3687 1 6 . 1 1 30 30 MET C C 30 177.683 177.683 177.269 0.414 17551 3688 1 6 . 1 1 30 30 MET CA C 30 58.150 58.150 56.871 1.279 17551 3689 1 6 . 1 1 30 30 MET CB C 30 33.162 33.162 32.987 0.175 17551 3690 1 6 . 1 1 30 30 MET H H 30 7.659 7.659 7.585 0.074 17551 3691 1 6 . 1 1 31 31 GLY N N 31 102.603 102.603 104.604 -2.001 17551 3692 1 6 . 1 1 31 31 GLY C C 31 172.264 172.264 173.076 -0.812 17551 3693 1 6 . 1 1 31 31 GLY CA C 31 45.433 45.433 44.624 0.809 17551 3694 1 6 . 1 1 31 31 GLY H H 31 7.839 7.839 8.515 -0.676 17551 3695 1 6 . 1 1 32 32 ARG N N 32 121.453 121.453 119.046 2.407 17551 3696 1 6 . 1 1 32 32 ARG HA H 32 3.072 3.072 4.201 -1.129 17551 3697 1 6 . 1 1 32 32 ARG C C 32 175.932 175.932 174.798 1.134 17551 3698 1 6 . 1 1 32 32 ARG CA C 32 56.894 56.894 55.272 1.622 17551 3699 1 6 . 1 1 32 32 ARG CB C 32 29.004 29.004 31.433 -2.429 17551 3700 1 6 . 1 1 32 32 ARG H H 32 6.954 6.954 7.773 -0.819 17551 3701 1 6 . 1 1 33 33 ASN N N 33 127.905 127.905 115.304 12.601 17551 3702 1 6 . 1 1 33 33 ASN HA H 33 4.066 4.066 4.337 -0.271 17551 3703 1 6 . 1 1 33 33 ASN C C 33 173.939 173.939 174.146 -0.207 17551 3704 1 6 . 1 1 33 33 ASN CA C 33 53.539 53.539 54.159 -0.620 17551 3705 1 6 . 1 1 33 33 ASN CB C 33 37.017 37.017 37.032 -0.015 17551 3706 1 6 . 1 1 33 33 ASN H H 33 8.990 8.990 8.326 0.664 17551 3707 1 6 . 1 1 34 34 CYS N N 34 116.649 116.649 118.585 -1.936 17551 3708 1 6 . 1 1 34 34 CYS HA H 34 4.018 4.018 4.560 -0.542 17551 3709 1 6 . 1 1 34 34 CYS C C 34 175.384 175.384 174.631 0.753 17551 3710 1 6 . 1 1 34 34 CYS CA C 34 57.216 57.216 57.814 -0.598 17551 3711 1 6 . 1 1 34 34 CYS CB C 34 27.200 27.200 30.373 -3.174 17551 3712 1 6 . 1 1 34 34 CYS H H 34 7.443 7.443 7.651 -0.208 17551 3713 1 6 . 1 1 35 35 LYS N N 35 130.727 130.727 125.184 5.543 17551 3714 1 6 . 1 1 35 35 LYS HA H 35 4.296 4.296 4.491 -0.195 17551 3715 1 6 . 1 1 35 35 LYS C C 35 175.272 175.272 175.496 -0.224 17551 3716 1 6 . 1 1 35 35 LYS CA C 35 55.577 55.577 56.209 -0.632 17551 3717 1 6 . 1 1 35 35 LYS CB C 35 29.487 29.487 31.233 -1.746 17551 3718 1 6 . 1 1 35 35 LYS H H 35 8.691 8.691 8.645 0.046 17551 3719 1 6 . 1 1 36 36 ILE N N 36 125.658 125.658 125.733 -0.075 17551 3720 1 6 . 1 1 36 36 ILE HA H 36 4.010 4.010 4.690 -0.680 17551 3721 1 6 . 1 1 36 36 ILE C C 36 177.115 177.115 175.958 1.157 17551 3722 1 6 . 1 1 36 36 ILE CA C 36 62.608 62.608 58.417 4.191 17551 3723 1 6 . 1 1 36 36 ILE CB C 36 39.739 39.739 37.501 2.239 17551 3724 1 6 . 1 1 36 36 ILE H H 36 7.658 7.658 8.129 -0.471 17551 3725 1 6 . 1 1 37 37 VAL N N 37 130.730 130.730 128.568 2.162 17551 3726 1 6 . 1 1 37 37 VAL HA H 37 5.105 5.105 5.087 0.018 17551 3727 1 6 . 1 1 37 37 VAL C C 37 175.295 175.295 176.146 -0.851 17551 3728 1 6 . 1 1 37 37 VAL CA C 37 60.845 60.845 60.928 -0.083 17551 3729 1 6 . 1 1 37 37 VAL CB C 37 33.716 33.716 32.616 1.100 17551 3730 1 6 . 1 1 37 37 VAL H H 37 7.909 7.909 8.295 -0.386 17551 3731 1 6 . 1 1 38 38 THR N N 38 127.066 127.066 124.977 2.089 17551 3732 1 6 . 1 1 38 38 THR HA H 38 5.405 5.405 5.442 -0.037 17551 3733 1 6 . 1 1 38 38 THR C C 38 174.035 174.035 173.986 0.049 17551 3734 1 6 . 1 1 38 38 THR CA C 38 61.303 61.303 61.148 0.155 17551 3735 1 6 . 1 1 38 38 THR CB C 38 70.474 70.474 69.832 0.642 17551 3736 1 6 . 1 1 38 38 THR H H 38 9.393 9.393 9.325 0.068 17551 3737 1 6 . 1 1 39 39 GLU N N 39 126.804 126.804 129.303 -2.499 17551 3738 1 6 . 1 1 39 39 GLU HA H 39 5.216 5.216 4.705 0.511 17551 3739 1 6 . 1 1 39 39 GLU C C 39 174.379 174.379 175.013 -0.634 17551 3740 1 6 . 1 1 39 39 GLU CA C 39 54.232 54.232 55.775 -1.543 17551 3741 1 6 . 1 1 39 39 GLU CB C 39 32.531 32.531 31.005 1.526 17551 3742 1 6 . 1 1 39 39 GLU H H 39 9.728 9.728 8.845 0.883 17551 3743 1 6 . 1 1 40 40 VAL N N 40 125.405 125.405 126.175 -0.770 17551 3744 1 6 . 1 1 40 40 VAL HA H 40 4.859 4.859 5.423 -0.564 17551 3745 1 6 . 1 1 40 40 VAL C C 40 176.139 176.139 175.324 0.815 17551 3746 1 6 . 1 1 40 40 VAL CA C 40 60.091 60.091 60.315 -0.224 17551 3747 1 6 . 1 1 40 40 VAL CB C 40 33.952 33.952 33.677 0.275 17551 3748 1 6 . 1 1 40 40 VAL H H 40 9.326 9.326 8.899 0.427 17551 3749 1 6 . 1 1 41 41 VAL N N 41 127.197 127.197 127.739 -0.542 17551 3750 1 6 . 1 1 41 41 VAL HA H 41 4.144 4.144 4.438 -0.294 17551 3751 1 6 . 1 1 41 41 VAL C C 41 173.604 173.604 174.099 -0.495 17551 3752 1 6 . 1 1 41 41 VAL CA C 41 62.522 62.522 60.757 1.765 17551 3753 1 6 . 1 1 41 41 VAL CB C 41 33.757 33.757 34.824 -1.067 17551 3754 1 6 . 1 1 41 41 VAL H H 41 8.811 8.811 8.244 0.567 17551 3755 1 6 . 1 1 42 42 GLN N N 42 130.317 130.317 126.644 3.673 17551 3756 1 6 . 1 1 42 42 GLN HA H 42 4.430 4.430 4.007 0.423 17551 3757 1 6 . 1 1 42 42 GLN C C 42 174.239 174.239 174.648 -0.409 17551 3758 1 6 . 1 1 42 42 GLN CA C 42 52.960 52.960 55.599 -2.639 17551 3759 1 6 . 1 1 42 42 GLN CB C 42 29.877 29.877 29.496 0.381 17551 3760 1 6 . 1 1 42 42 GLN H H 42 8.345 8.345 8.703 -0.358 17551 3761 1 6 . 1 1 43 43 ASN N N 43 125.513 125.513 127.162 -1.649 17551 3762 1 6 . 1 1 43 43 ASN HA H 43 4.826 4.826 4.850 -0.024 17551 3763 1 6 . 1 1 43 43 ASN C C 43 175.350 175.350 175.293 0.057 17551 3764 1 6 . 1 1 43 43 ASN CA C 43 51.303 51.303 52.083 -0.779 17551 3765 1 6 . 1 1 43 43 ASN CB C 43 39.051 39.051 38.750 0.301 17551 3766 1 6 . 1 1 43 43 ASN H H 43 8.772 8.772 7.933 0.839 17551 3767 1 6 . 1 1 44 44 GLY N N 44 115.694 115.694 113.359 2.335 17551 3768 1 6 . 1 1 44 44 GLY C C 44 173.199 173.199 174.825 -1.626 17551 3769 1 6 . 1 1 44 44 GLY CA C 44 46.964 46.964 46.731 0.233 17551 3770 1 6 . 1 1 44 44 GLY H H 44 9.187 9.187 8.560 0.627 17551 3771 1 6 . 1 1 45 45 ASN N N 45 125.520 125.520 123.002 2.518 17551 3772 1 6 . 1 1 45 45 ASN HA H 45 4.991 4.991 4.827 0.164 17551 3773 1 6 . 1 1 45 45 ASN C C 45 173.822 173.822 172.698 1.124 17551 3774 1 6 . 1 1 45 45 ASN CA C 45 52.215 52.215 52.511 -0.296 17551 3775 1 6 . 1 1 45 45 ASN CB C 45 38.700 38.700 40.535 -1.835 17551 3776 1 6 . 1 1 45 45 ASN H H 45 8.854 8.854 8.227 0.627 17551 3777 1 6 . 1 1 46 46 ASP N N 46 120.842 120.842 121.088 -0.246 17551 3778 1 6 . 1 1 46 46 ASP HA H 46 5.185 5.185 5.202 -0.017 17551 3779 1 6 . 1 1 46 46 ASP C C 46 174.705 174.705 174.572 0.133 17551 3780 1 6 . 1 1 46 46 ASP CA C 46 53.658 53.658 52.939 0.719 17551 3781 1 6 . 1 1 46 46 ASP CB C 46 41.025 41.025 41.852 -0.827 17551 3782 1 6 . 1 1 46 46 ASP H H 46 7.921 7.921 7.619 0.302 17551 3783 1 6 . 1 1 47 47 PHE N N 47 121.470 121.470 126.495 -5.025 17551 3784 1 6 . 1 1 47 47 PHE HA H 47 5.161 5.161 5.298 -0.137 17551 3785 1 6 . 1 1 47 47 PHE C C 47 177.125 177.125 175.882 1.243 17551 3786 1 6 . 1 1 47 47 PHE CA C 47 56.591 56.591 56.026 0.565 17551 3787 1 6 . 1 1 47 47 PHE CB C 47 44.035 44.035 41.102 2.933 17551 3788 1 6 . 1 1 47 47 PHE H H 47 9.263 9.263 8.536 0.727 17551 3789 1 6 . 1 1 48 48 THR N N 48 116.950 116.950 116.051 0.899 17551 3790 1 6 . 1 1 48 48 THR HA H 48 4.861 4.861 4.567 0.294 17551 3791 1 6 . 1 1 48 48 THR C C 48 172.499 172.499 173.873 -1.374 17551 3792 1 6 . 1 1 48 48 THR CA C 48 62.943 62.943 61.421 1.522 17551 3793 1 6 . 1 1 48 48 THR CB C 48 70.360 70.360 69.290 1.070 17551 3794 1 6 . 1 1 48 48 THR H H 48 8.831 8.831 8.463 0.368 17551 3795 1 6 . 1 1 49 49 TRP N N 49 132.266 132.266 128.887 3.379 17551 3796 1 6 . 1 1 49 49 TRP HA H 49 4.955 4.955 5.004 -0.049 17551 3797 1 6 . 1 1 49 49 TRP C C 49 175.842 175.842 174.938 0.904 17551 3798 1 6 . 1 1 49 49 TRP CA C 49 57.286 57.286 56.312 0.974 17551 3799 1 6 . 1 1 49 49 TRP CB C 49 31.894 31.894 31.824 0.070 17551 3800 1 6 . 1 1 49 49 TRP H H 49 9.914 9.914 9.368 0.546 17551 3801 1 6 . 1 1 50 50 THR N N 50 131.707 131.707 123.611 8.096 17551 3802 1 6 . 1 1 50 50 THR HA H 50 5.928 5.928 4.992 0.936 17551 3803 1 6 . 1 1 50 50 THR C C 50 173.408 173.408 173.091 0.317 17551 3804 1 6 . 1 1 50 50 THR CA C 50 60.993 60.993 61.351 -0.358 17551 3805 1 6 . 1 1 50 50 THR CB C 50 70.957 70.957 70.390 0.567 17551 3806 1 6 . 1 1 50 50 THR H H 50 9.524 9.524 8.366 1.158 17551 3807 1 6 . 1 1 51 51 GLN N N 51 124.680 124.680 126.511 -1.831 17551 3808 1 6 . 1 1 51 51 GLN HA H 51 5.056 5.056 5.294 -0.238 17551 3809 1 6 . 1 1 51 51 GLN C C 51 175.328 175.328 174.821 0.507 17551 3810 1 6 . 1 1 51 51 GLN CA C 51 56.309 56.309 54.351 1.958 17551 3811 1 6 . 1 1 51 51 GLN CB C 51 29.046 29.046 30.601 -1.555 17551 3812 1 6 . 1 1 51 51 GLN H H 51 9.456 9.456 9.169 0.287 17551 3813 1 6 . 1 1 52 52 HIS N N 52 122.268 122.268 124.970 -2.702 17551 3814 1 6 . 1 1 52 52 HIS HA H 52 5.051 5.051 4.972 0.079 17551 3815 1 6 . 1 1 52 52 HIS C C 52 174.819 174.819 174.292 0.527 17551 3816 1 6 . 1 1 52 52 HIS CA C 52 54.039 54.039 55.114 -1.075 17551 3817 1 6 . 1 1 52 52 HIS CB C 52 29.432 29.432 32.250 -2.818 17551 3818 1 6 . 1 1 52 52 HIS H H 52 9.534 9.534 9.040 0.494 17551 3819 1 6 . 1 1 53 53 PHE N N 53 129.837 129.837 124.651 5.186 17551 3820 1 6 . 1 1 53 53 PHE HA H 53 4.584 4.584 4.967 -0.383 17551 3821 1 6 . 1 1 53 53 PHE CA C 53 56.312 56.312 53.422 2.890 17551 3822 1 6 . 1 1 53 53 PHE CB C 53 40.660 40.660 41.962 -1.302 17551 3823 1 6 . 1 1 53 53 PHE H H 53 8.641 8.641 8.982 -0.341 17551 3824 1 6 . 1 1 54 54 PRO HA H 54 4.291 4.291 4.371 -0.080 17551 3825 1 6 . 1 1 54 54 PRO C C 54 177.389 177.389 176.606 0.783 17551 3826 1 6 . 1 1 54 54 PRO CA C 54 63.569 63.569 63.561 0.008 17551 3827 1 6 . 1 1 54 54 PRO CB C 54 30.471 30.471 31.035 -0.564 17551 3828 1 6 . 1 1 55 55 GLY N N 55 113.867 113.867 112.893 0.974 17551 3829 1 6 . 1 1 55 55 GLY C C 55 175.164 175.164 174.081 1.083 17551 3830 1 6 . 1 1 55 55 GLY CA C 55 45.258 45.258 45.107 0.151 17551 3831 1 6 . 1 1 55 55 GLY H H 55 8.926 8.926 8.586 0.340 17551 3832 1 6 . 1 1 56 56 GLY N N 56 108.877 108.877 108.058 0.819 17551 3833 1 6 . 1 1 56 56 GLY C C 56 174.054 174.054 172.680 1.374 17551 3834 1 6 . 1 1 56 56 GLY CA C 56 44.534 44.534 44.878 -0.344 17551 3835 1 6 . 1 1 56 56 GLY H H 56 8.426 8.426 7.725 0.701 17551 3836 1 6 . 1 1 57 57 ARG N N 57 123.871 123.871 118.883 4.988 17551 3837 1 6 . 1 1 57 57 ARG HA H 57 4.483 4.483 4.485 -0.002 17551 3838 1 6 . 1 1 57 57 ARG C C 57 176.728 176.728 175.897 0.831 17551 3839 1 6 . 1 1 57 57 ARG CA C 57 56.217 56.217 56.368 -0.151 17551 3840 1 6 . 1 1 57 57 ARG CB C 57 31.388 31.388 30.679 0.709 17551 3841 1 6 . 1 1 57 57 ARG H H 57 8.474 8.474 8.413 0.061 17551 3842 1 6 . 1 1 58 58 THR N N 58 122.156 122.156 116.957 5.199 17551 3843 1 6 . 1 1 58 58 THR HA H 58 5.299 5.299 4.769 0.530 17551 3844 1 6 . 1 1 58 58 THR C C 58 174.092 174.092 174.270 -0.178 17551 3845 1 6 . 1 1 58 58 THR CA C 58 62.125 62.125 60.692 1.433 17551 3846 1 6 . 1 1 58 58 THR CB C 58 70.339 70.339 70.278 0.061 17551 3847 1 6 . 1 1 58 58 THR H H 58 8.818 8.818 8.348 0.470 17551 3848 1 6 . 1 1 59 59 THR N N 59 127.287 127.287 120.804 6.483 17551 3849 1 6 . 1 1 59 59 THR HA H 59 4.505 4.505 4.686 -0.181 17551 3850 1 6 . 1 1 59 59 THR C C 59 172.626 172.626 172.768 -0.142 17551 3851 1 6 . 1 1 59 59 THR CA C 59 62.163 62.163 61.502 0.661 17551 3852 1 6 . 1 1 59 59 THR CB C 59 70.565 70.565 71.789 -1.224 17551 3853 1 6 . 1 1 59 59 THR H H 59 9.281 9.281 8.972 0.309 17551 3854 1 6 . 1 1 60 60 THR N N 60 123.658 123.658 120.400 3.258 17551 3855 1 6 . 1 1 60 60 THR HA H 60 5.105 5.105 5.189 -0.084 17551 3856 1 6 . 1 1 60 60 THR C C 60 172.453 172.453 173.289 -0.836 17551 3857 1 6 . 1 1 60 60 THR CA C 60 61.277 61.277 61.541 -0.264 17551 3858 1 6 . 1 1 60 60 THR CB C 60 70.432 70.432 70.945 -0.514 17551 3859 1 6 . 1 1 60 60 THR H H 60 8.952 8.952 8.522 0.430 17551 3860 1 6 . 1 1 61 61 ASN N N 61 124.292 124.292 124.179 0.113 17551 3861 1 6 . 1 1 61 61 ASN HA H 61 5.384 5.384 5.114 0.270 17551 3862 1 6 . 1 1 61 61 ASN C C 61 173.609 173.609 174.006 -0.397 17551 3863 1 6 . 1 1 61 61 ASN CA C 61 52.190 52.190 52.335 -0.145 17551 3864 1 6 . 1 1 61 61 ASN CB C 61 43.987 43.987 41.440 2.547 17551 3865 1 6 . 1 1 61 61 ASN H H 61 8.848 8.848 9.291 -0.443 17551 3866 1 6 . 1 1 62 62 SER N N 62 118.046 118.046 116.899 1.147 17551 3867 1 6 . 1 1 62 62 SER HA H 62 5.659 5.659 5.424 0.235 17551 3868 1 6 . 1 1 62 62 SER C C 62 172.545 172.545 173.412 -0.867 17551 3869 1 6 . 1 1 62 62 SER CA C 62 56.974 56.974 57.312 -0.338 17551 3870 1 6 . 1 1 62 62 SER CB C 62 64.719 64.719 65.093 -0.374 17551 3871 1 6 . 1 1 62 62 SER H H 62 8.986 8.986 8.652 0.334 17551 3872 1 6 . 1 1 63 63 PHE N N 63 118.769 118.769 118.085 0.684 17551 3873 1 6 . 1 1 63 63 PHE HA H 63 5.016 5.016 4.996 0.020 17551 3874 1 6 . 1 1 63 63 PHE C C 63 172.500 172.500 173.906 -1.406 17551 3875 1 6 . 1 1 63 63 PHE CA C 63 55.793 55.793 56.180 -0.387 17551 3876 1 6 . 1 1 63 63 PHE CB C 63 39.459 39.459 41.521 -2.062 17551 3877 1 6 . 1 1 63 63 PHE H H 63 8.514 8.514 8.389 0.125 17551 3878 1 6 . 1 1 64 64 THR N N 64 120.318 120.318 118.832 1.486 17551 3879 1 6 . 1 1 64 64 THR HA H 64 5.617 5.617 4.987 0.630 17551 3880 1 6 . 1 1 64 64 THR C C 64 175.240 175.240 174.884 0.356 17551 3881 1 6 . 1 1 64 64 THR CA C 64 60.409 60.409 61.690 -1.281 17551 3882 1 6 . 1 1 64 64 THR CB C 64 71.213 71.213 70.091 1.122 17551 3883 1 6 . 1 1 64 64 THR H H 64 9.743 9.743 8.684 1.059 17551 3884 1 6 . 1 1 65 65 ILE N N 65 127.640 127.640 127.382 0.258 17551 3885 1 6 . 1 1 65 65 ILE HA H 65 4.089 4.089 3.903 0.186 17551 3886 1 6 . 1 1 65 65 ILE C C 65 176.477 176.477 177.365 -0.888 17551 3887 1 6 . 1 1 65 65 ILE CA C 65 59.299 59.299 61.816 -2.517 17551 3888 1 6 . 1 1 65 65 ILE CB C 65 35.445 35.445 36.354 -0.909 17551 3889 1 6 . 1 1 65 65 ILE H H 65 8.961 8.961 9.026 -0.065 17551 3890 1 6 . 1 1 66 66 ASP N N 66 117.361 117.361 125.325 -7.964 17551 3891 1 6 . 1 1 66 66 ASP HA H 66 4.080 4.080 4.259 -0.179 17551 3892 1 6 . 1 1 66 66 ASP C C 66 174.730 174.730 174.646 0.084 17551 3893 1 6 . 1 1 66 66 ASP CA C 66 57.150 57.150 55.468 1.682 17551 3894 1 6 . 1 1 66 66 ASP CB C 66 38.442 38.442 40.561 -2.119 17551 3895 1 6 . 1 1 66 66 ASP H H 66 9.264 9.264 9.216 0.048 17551 3896 1 6 . 1 1 67 67 LYS N N 67 121.171 121.171 119.263 1.908 17551 3897 1 6 . 1 1 67 67 LYS HA H 67 4.805 4.805 4.600 0.205 17551 3898 1 6 . 1 1 67 67 LYS C C 67 175.115 175.115 174.289 0.826 17551 3899 1 6 . 1 1 67 67 LYS CA C 67 53.900 53.900 55.076 -1.176 17551 3900 1 6 . 1 1 67 67 LYS CB C 67 34.256 34.256 35.384 -1.128 17551 3901 1 6 . 1 1 67 67 LYS H H 67 8.185 8.185 7.813 0.372 17551 3902 1 6 . 1 1 68 68 GLU N N 68 130.373 130.373 122.865 7.508 17551 3903 1 6 . 1 1 68 68 GLU HA H 68 4.194 4.194 4.382 -0.188 17551 3904 1 6 . 1 1 68 68 GLU C C 68 175.449 175.449 175.581 -0.132 17551 3905 1 6 . 1 1 68 68 GLU CA C 68 58.343 58.343 56.574 1.769 17551 3906 1 6 . 1 1 68 68 GLU H H 68 8.879 8.879 8.485 0.394 17551 3907 1 6 . 1 1 69 69 ALA N N 69 130.113 130.113 126.037 4.076 17551 3908 1 6 . 1 1 69 69 ALA HA H 69 4.924 4.924 4.642 0.282 17551 3909 1 6 . 1 1 69 69 ALA C C 69 175.797 175.797 175.497 0.300 17551 3910 1 6 . 1 1 69 69 ALA CA C 69 50.151 50.151 50.696 -0.545 17551 3911 1 6 . 1 1 69 69 ALA CB C 69 22.239 22.239 22.911 -0.672 17551 3912 1 6 . 1 1 69 69 ALA H H 69 8.864 8.864 8.834 0.030 17551 3913 1 6 . 1 1 70 70 ASP N N 70 120.889 120.889 125.130 -4.241 17551 3914 1 6 . 1 1 70 70 ASP HA H 70 4.852 4.852 4.813 0.039 17551 3915 1 6 . 1 1 70 70 ASP C C 70 175.541 175.541 175.316 0.225 17551 3916 1 6 . 1 1 70 70 ASP CA C 70 54.211 54.211 54.532 -0.321 17551 3917 1 6 . 1 1 70 70 ASP CB C 70 41.052 41.052 41.084 -0.032 17551 3918 1 6 . 1 1 70 70 ASP H H 70 8.319 8.319 8.656 -0.337 17551 3919 1 6 . 1 1 71 71 MET N N 71 125.005 125.005 122.793 2.212 17551 3920 1 6 . 1 1 71 71 MET HA H 71 4.743 4.743 4.869 -0.126 17551 3921 1 6 . 1 1 71 71 MET C C 71 174.047 174.047 173.758 0.289 17551 3922 1 6 . 1 1 71 71 MET CA C 71 54.265 54.265 53.851 0.414 17551 3923 1 6 . 1 1 71 71 MET CB C 71 39.844 39.844 36.864 2.980 17551 3924 1 6 . 1 1 71 71 MET H H 71 8.796 8.796 8.558 0.238 17551 3925 1 6 . 1 1 72 72 GLU N N 72 118.909 118.909 119.714 -0.805 17551 3926 1 6 . 1 1 72 72 GLU HA H 72 5.613 5.613 5.405 0.208 17551 3927 1 6 . 1 1 72 72 GLU C C 72 176.109 176.109 175.352 0.757 17551 3928 1 6 . 1 1 72 72 GLU CA C 72 53.790 53.790 55.120 -1.331 17551 3929 1 6 . 1 1 72 72 GLU CB C 72 33.986 33.986 33.350 0.636 17551 3930 1 6 . 1 1 72 72 GLU H H 72 9.225 9.225 8.178 1.047 17551 3931 1 6 . 1 1 73 73 THR N N 73 109.667 109.667 116.237 -6.570 17551 3932 1 6 . 1 1 73 73 THR HA H 73 4.538 4.538 4.654 -0.116 17551 3933 1 6 . 1 1 73 73 THR C C 73 176.660 176.660 175.078 1.582 17551 3934 1 6 . 1 1 73 73 THR CA C 73 59.666 59.666 60.384 -0.718 17551 3935 1 6 . 1 1 73 73 THR CB C 73 69.710 69.710 70.610 -0.900 17551 3936 1 6 . 1 1 73 73 THR H H 73 8.904 8.904 8.763 0.141 17551 3937 1 6 . 1 1 74 74 MET N N 74 117.519 117.519 116.321 1.198 17551 3938 1 6 . 1 1 74 74 MET HA H 74 4.776 4.776 4.477 0.299 17551 3939 1 6 . 1 1 74 74 MET C C 74 176.641 176.641 176.722 -0.081 17551 3940 1 6 . 1 1 74 74 MET CA C 74 58.631 58.631 56.970 1.661 17551 3941 1 6 . 1 1 74 74 MET H H 74 8.206 8.206 8.329 -0.123 17551 3942 1 6 . 1 1 75 75 GLY N N 75 103.810 103.810 104.391 -0.581 17551 3943 1 6 . 1 1 75 75 GLY C C 75 173.956 173.956 174.829 -0.873 17551 3944 1 6 . 1 1 75 75 GLY CA C 75 43.728 43.728 44.644 -0.916 17551 3945 1 6 . 1 1 75 75 GLY H H 75 8.067 8.067 7.603 0.464 17551 3946 1 6 . 1 1 76 76 GLY N N 76 108.498 108.498 108.259 0.239 17551 3947 1 6 . 1 1 76 76 GLY C C 76 173.267 173.267 174.435 -1.168 17551 3948 1 6 . 1 1 76 76 GLY CA C 76 44.563 44.563 44.584 -0.021 17551 3949 1 6 . 1 1 76 76 GLY H H 76 7.702 7.702 7.447 0.255 17551 3950 1 6 . 1 1 77 77 ARG N N 77 121.161 121.161 121.367 -0.206 17551 3951 1 6 . 1 1 77 77 ARG HA H 77 4.348 4.348 4.383 -0.035 17551 3952 1 6 . 1 1 77 77 ARG C C 77 176.083 176.083 175.480 0.603 17551 3953 1 6 . 1 1 77 77 ARG CA C 77 55.350 55.350 55.612 -0.262 17551 3954 1 6 . 1 1 77 77 ARG CB C 77 30.904 30.904 31.116 -0.212 17551 3955 1 6 . 1 1 77 77 ARG H H 77 7.328 7.328 7.782 -0.454 17551 3956 1 6 . 1 1 78 78 LYS N N 78 126.790 126.790 125.217 1.573 17551 3957 1 6 . 1 1 78 78 LYS HA H 78 5.147 5.147 4.905 0.242 17551 3958 1 6 . 1 1 78 78 LYS C C 78 176.961 176.961 176.100 0.861 17551 3959 1 6 . 1 1 78 78 LYS CA C 78 55.487 55.487 55.918 -0.431 17551 3960 1 6 . 1 1 78 78 LYS CB C 78 32.769 32.769 33.300 -0.531 17551 3961 1 6 . 1 1 78 78 LYS H H 78 8.771 8.771 8.637 0.134 17551 3962 1 6 . 1 1 79 79 PHE N N 79 119.480 119.480 122.115 -2.635 17551 3963 1 6 . 1 1 79 79 PHE HA H 79 4.898 4.898 5.011 -0.113 17551 3964 1 6 . 1 1 79 79 PHE C C 79 171.587 171.587 173.375 -1.788 17551 3965 1 6 . 1 1 79 79 PHE CA C 79 55.817 55.817 56.167 -0.350 17551 3966 1 6 . 1 1 79 79 PHE CB C 79 40.702 40.702 41.914 -1.212 17551 3967 1 6 . 1 1 79 79 PHE H H 79 8.794 8.794 8.431 0.363 17551 3968 1 6 . 1 1 80 80 LYS N N 80 119.760 119.760 119.450 0.310 17551 3969 1 6 . 1 1 80 80 LYS HA H 80 5.460 5.460 5.343 0.117 17551 3970 1 6 . 1 1 80 80 LYS C C 80 176.538 176.538 175.688 0.850 17551 3971 1 6 . 1 1 80 80 LYS CA C 80 53.988 53.988 55.026 -1.038 17551 3972 1 6 . 1 1 80 80 LYS CB C 80 35.754 35.754 35.334 0.420 17551 3973 1 6 . 1 1 80 80 LYS H H 80 8.414 8.414 8.451 -0.037 17551 3974 1 6 . 1 1 81 81 ALA N N 81 121.171 121.171 126.434 -5.263 17551 3975 1 6 . 1 1 81 81 ALA HA H 81 4.738 4.738 4.580 0.158 17551 3976 1 6 . 1 1 81 81 ALA C C 81 175.290 175.290 175.060 0.230 17551 3977 1 6 . 1 1 81 81 ALA CA C 81 51.262 51.262 51.113 0.149 17551 3978 1 6 . 1 1 81 81 ALA CB C 81 22.568 22.568 22.002 0.566 17551 3979 1 6 . 1 1 81 81 ALA H H 81 8.525 8.525 8.923 -0.398 17551 3980 1 6 . 1 1 82 82 THR N N 82 117.970 117.970 116.392 1.578 17551 3981 1 6 . 1 1 82 82 THR HA H 82 4.292 4.292 4.862 -0.570 17551 3982 1 6 . 1 1 82 82 THR C C 82 172.556 172.556 173.628 -1.072 17551 3983 1 6 . 1 1 82 82 THR CA C 82 61.640 61.640 61.529 0.111 17551 3984 1 6 . 1 1 82 82 THR CB C 82 68.485 68.485 69.608 -1.123 17551 3985 1 6 . 1 1 82 82 THR H H 82 8.448 8.448 8.423 0.025 17551 3986 1 6 . 1 1 83 83 VAL N N 83 131.564 131.564 125.145 6.419 17551 3987 1 6 . 1 1 83 83 VAL HA H 83 3.784 3.784 4.593 -0.809 17551 3988 1 6 . 1 1 83 83 VAL C C 83 174.167 174.167 174.702 -0.535 17551 3989 1 6 . 1 1 83 83 VAL CA C 83 62.059 62.059 60.624 1.435 17551 3990 1 6 . 1 1 83 83 VAL CB C 83 31.076 31.076 33.775 -2.699 17551 3991 1 6 . 1 1 83 83 VAL H H 83 9.722 9.722 7.956 1.766 17551 3992 1 6 . 1 1 84 84 LYS N N 84 125.930 125.930 122.734 3.196 17551 3993 1 6 . 1 1 84 84 LYS HA H 84 4.851 4.851 4.812 0.039 17551 3994 1 6 . 1 1 84 84 LYS C C 84 175.025 175.025 174.675 0.350 17551 3995 1 6 . 1 1 84 84 LYS CA C 84 54.213 54.213 54.136 0.076 17551 3996 1 6 . 1 1 84 84 LYS CB C 84 35.076 35.076 35.754 -0.678 17551 3997 1 6 . 1 1 84 84 LYS H H 84 8.541 8.541 9.023 -0.482 17551 3998 1 6 . 1 1 85 85 MET N N 85 119.366 119.366 118.881 0.485 17551 3999 1 6 . 1 1 85 85 MET HA H 85 5.517 5.517 5.198 0.319 17551 4000 1 6 . 1 1 85 85 MET C C 85 175.698 175.698 175.666 0.032 17551 4001 1 6 . 1 1 85 85 MET CA C 85 54.256 54.256 54.594 -0.338 17551 4002 1 6 . 1 1 85 85 MET CB C 85 35.406 35.406 37.466 -2.060 17551 4003 1 6 . 1 1 85 85 MET H H 85 8.992 8.992 8.554 0.438 17551 4004 1 6 . 1 1 86 86 GLU N N 86 125.741 125.741 121.313 4.428 17551 4005 1 6 . 1 1 86 86 GLU HA H 86 4.654 4.654 4.624 0.030 17551 4006 1 6 . 1 1 86 86 GLU C C 86 177.223 177.223 176.491 0.732 17551 4007 1 6 . 1 1 86 86 GLU CA C 86 54.213 54.213 55.968 -1.755 17551 4008 1 6 . 1 1 86 86 GLU CB C 86 31.578 31.578 29.240 2.338 17551 4009 1 6 . 1 1 86 86 GLU H H 86 9.063 9.063 9.207 -0.144 17551 4010 1 6 . 1 1 87 87 GLY N N 87 117.720 117.720 111.086 6.634 17551 4011 1 6 . 1 1 87 87 GLY C C 87 175.275 175.275 175.375 -0.100 17551 4012 1 6 . 1 1 87 87 GLY CA C 87 46.902 46.902 44.738 2.164 17551 4013 1 6 . 1 1 87 87 GLY H H 87 9.300 9.300 8.713 0.587 17551 4014 1 6 . 1 1 88 88 GLY N N 88 109.070 109.070 105.813 3.257 17551 4015 1 6 . 1 1 88 88 GLY C C 88 172.863 172.863 173.947 -1.084 17551 4016 1 6 . 1 1 88 88 GLY CA C 88 44.853 44.853 45.075 -0.222 17551 4017 1 6 . 1 1 88 88 GLY H H 88 8.739 8.739 8.434 0.305 17551 4018 1 6 . 1 1 89 89 LYS N N 89 120.150 120.150 118.687 1.463 17551 4019 1 6 . 1 1 89 89 LYS HA H 89 5.113 5.113 5.169 -0.056 17551 4020 1 6 . 1 1 89 89 LYS C C 89 175.487 175.487 175.573 -0.086 17551 4021 1 6 . 1 1 89 89 LYS CA C 89 54.363 54.363 54.509 -0.146 17551 4022 1 6 . 1 1 89 89 LYS CB C 89 33.753 33.753 34.605 -0.852 17551 4023 1 6 . 1 1 89 89 LYS H H 89 7.853 7.853 7.641 0.212 17551 4024 1 6 . 1 1 90 90 ILE N N 90 124.537 124.537 126.357 -1.820 17551 4025 1 6 . 1 1 90 90 ILE HA H 90 4.489 4.489 4.298 0.191 17551 4026 1 6 . 1 1 90 90 ILE C C 90 175.679 175.679 174.704 0.975 17551 4027 1 6 . 1 1 90 90 ILE CA C 90 60.930 60.930 61.516 -0.586 17551 4028 1 6 . 1 1 90 90 ILE CB C 90 38.367 38.367 37.739 0.628 17551 4029 1 6 . 1 1 90 90 ILE H H 90 9.081 9.081 8.469 0.612 17551 4030 1 6 . 1 1 91 91 VAL N N 91 124.871 124.871 128.675 -3.804 17551 4031 1 6 . 1 1 91 91 VAL HA H 91 4.591 4.591 4.910 -0.319 17551 4032 1 6 . 1 1 91 91 VAL C C 91 173.890 173.890 173.317 0.573 17551 4033 1 6 . 1 1 91 91 VAL CA C 91 60.743 60.743 58.889 1.854 17551 4034 1 6 . 1 1 91 91 VAL CB C 91 35.279 35.279 35.434 -0.155 17551 4035 1 6 . 1 1 91 91 VAL H H 91 8.786 8.786 8.794 -0.008 17551 4036 1 6 . 1 1 92 92 ALA N N 92 129.590 129.590 131.481 -1.891 17551 4037 1 6 . 1 1 92 92 ALA HA H 92 4.563 4.563 4.487 0.076 17551 4038 1 6 . 1 1 92 92 ALA C C 92 173.855 173.855 175.204 -1.349 17551 4039 1 6 . 1 1 92 92 ALA CA C 92 49.864 49.864 50.096 -0.233 17551 4040 1 6 . 1 1 92 92 ALA CB C 92 21.948 21.948 21.408 0.540 17551 4041 1 6 . 1 1 92 92 ALA H H 92 9.228 9.228 9.108 0.120 17551 4042 1 6 . 1 1 93 93 ASP N N 93 121.654 121.654 122.963 -1.309 17551 4043 1 6 . 1 1 93 93 ASP HA H 93 5.342 5.342 4.800 0.542 17551 4044 1 6 . 1 1 93 93 ASP C C 93 173.521 173.521 174.599 -1.078 17551 4045 1 6 . 1 1 93 93 ASP CA C 93 53.658 53.658 53.970 -0.312 17551 4046 1 6 . 1 1 93 93 ASP CB C 93 44.462 44.462 42.454 2.008 17551 4047 1 6 . 1 1 93 93 ASP H H 93 8.326 8.326 7.719 0.607 17551 4048 1 6 . 1 1 94 94 PHE N N 94 122.296 122.296 123.223 -0.927 17551 4049 1 6 . 1 1 94 94 PHE HA H 94 5.024 5.024 4.826 0.198 17551 4050 1 6 . 1 1 94 94 PHE CA C 94 53.952 53.952 55.531 -1.579 17551 4051 1 6 . 1 1 94 94 PHE CB C 94 38.958 38.958 42.594 -3.636 17551 4052 1 6 . 1 1 94 94 PHE H H 94 8.776 8.776 7.879 0.897 17551 4053 1 6 . 1 1 95 95 PRO HA H 95 4.396 4.396 4.501 -0.105 17551 4054 1 6 . 1 1 95 95 PRO C C 95 177.375 177.375 176.869 0.506 17551 4055 1 6 . 1 1 95 95 PRO CA C 95 64.386 64.386 63.697 0.690 17551 4056 1 6 . 1 1 95 95 PRO CB C 95 30.432 30.432 31.236 -0.804 17551 4057 1 6 . 1 1 96 96 ASN N N 96 120.924 120.924 118.364 2.560 17551 4058 1 6 . 1 1 96 96 ASN HA H 96 4.619 4.619 4.325 0.294 17551 4059 1 6 . 1 1 96 96 ASN C C 96 174.189 174.189 173.265 0.924 17551 4060 1 6 . 1 1 96 96 ASN CA C 96 53.442 53.442 54.495 -1.053 17551 4061 1 6 . 1 1 96 96 ASN CB C 96 38.069 38.069 38.193 -0.124 17551 4062 1 6 . 1 1 96 96 ASN H H 96 9.183 9.183 9.035 0.148 17551 4063 1 6 . 1 1 97 97 TYR N N 97 120.943 120.943 119.300 1.643 17551 4064 1 6 . 1 1 97 97 TYR HA H 97 4.804 4.804 5.805 -1.001 17551 4065 1 6 . 1 1 97 97 TYR C C 97 172.713 172.713 173.571 -0.858 17551 4066 1 6 . 1 1 97 97 TYR CA C 97 59.314 59.314 56.774 2.540 17551 4067 1 6 . 1 1 97 97 TYR CB C 97 40.512 40.512 41.261 -0.750 17551 4068 1 6 . 1 1 97 97 TYR H H 97 8.066 8.066 7.432 0.634 17551 4069 1 6 . 1 1 98 98 HIS N N 98 128.370 128.370 127.961 0.409 17551 4070 1 6 . 1 1 98 98 HIS HA H 98 5.466 5.466 5.193 0.273 17551 4071 1 6 . 1 1 98 98 HIS C C 98 172.821 172.821 173.323 -0.502 17551 4072 1 6 . 1 1 98 98 HIS CA C 98 54.311 54.311 54.967 -0.656 17551 4073 1 6 . 1 1 98 98 HIS CB C 98 31.053 31.053 32.733 -1.680 17551 4074 1 6 . 1 1 98 98 HIS H H 98 8.786 8.786 8.732 0.054 17551 4075 1 6 . 1 1 99 99 HIS N N 99 130.146 130.146 129.328 0.818 17551 4076 1 6 . 1 1 99 99 HIS HA H 99 5.689 5.689 5.747 -0.058 17551 4077 1 6 . 1 1 99 99 HIS C C 99 173.405 173.405 173.920 -0.515 17551 4078 1 6 . 1 1 99 99 HIS CA C 99 55.101 55.101 54.054 1.047 17551 4079 1 6 . 1 1 99 99 HIS CB C 99 34.888 34.888 32.566 2.322 17551 4080 1 6 . 1 1 99 99 HIS H H 99 8.963 8.963 8.248 0.715 17551 4081 1 6 . 1 1 100 100 THR N N 100 117.843 117.843 119.841 -1.998 17551 4082 1 6 . 1 1 100 100 THR HA H 100 5.597 5.597 5.492 0.105 17551 4083 1 6 . 1 1 100 100 THR C C 100 172.563 172.563 172.737 -0.174 17551 4084 1 6 . 1 1 100 100 THR CA C 100 57.863 57.863 59.588 -1.725 17551 4085 1 6 . 1 1 100 100 THR CB C 100 71.830 71.830 71.574 0.256 17551 4086 1 6 . 1 1 100 100 THR H H 100 8.871 8.871 8.155 0.716 17551 4087 1 6 . 1 1 101 101 ALA N N 101 121.591 121.591 126.492 -4.901 17551 4088 1 6 . 1 1 101 101 ALA HA H 101 5.318 5.318 4.954 0.364 17551 4089 1 6 . 1 1 101 101 ALA C C 101 175.540 175.540 175.402 0.138 17551 4090 1 6 . 1 1 101 101 ALA CA C 101 50.320 50.320 50.228 0.092 17551 4091 1 6 . 1 1 101 101 ALA CB C 101 22.819 22.819 21.410 1.409 17551 4092 1 6 . 1 1 101 101 ALA H H 101 8.825 8.825 8.885 -0.060 17551 4093 1 6 . 1 1 102 102 GLU N N 102 118.491 118.491 121.010 -2.519 17551 4094 1 6 . 1 1 102 102 GLU HA H 102 5.194 5.194 5.050 0.144 17551 4095 1 6 . 1 1 102 102 GLU C C 102 172.497 172.497 174.207 -1.710 17551 4096 1 6 . 1 1 102 102 GLU CA C 102 53.879 53.879 54.625 -0.746 17551 4097 1 6 . 1 1 102 102 GLU H H 102 8.785 8.785 8.109 0.676 17551 4098 1 6 . 1 1 103 103 ILE N N 103 121.813 121.813 121.368 0.445 17551 4099 1 6 . 1 1 103 103 ILE HA H 103 5.129 5.129 5.212 -0.083 17551 4100 1 6 . 1 1 103 103 ILE C C 103 177.119 177.119 175.941 1.178 17551 4101 1 6 . 1 1 103 103 ILE CA C 103 56.631 56.631 59.308 -2.677 17551 4102 1 6 . 1 1 103 103 ILE CB C 103 34.564 34.564 37.425 -2.861 17551 4103 1 6 . 1 1 103 103 ILE H H 103 8.442 8.442 8.594 -0.152 17551 4104 1 6 . 1 1 104 104 SER N N 104 122.295 122.295 123.585 -1.290 17551 4105 1 6 . 1 1 104 104 SER HA H 104 4.783 4.783 4.635 0.148 17551 4106 1 6 . 1 1 104 104 SER CA C 104 55.521 55.521 57.595 -2.074 17551 4107 1 6 . 1 1 104 104 SER CB C 104 63.426 63.426 63.903 -0.477 17551 4108 1 6 . 1 1 104 104 SER H H 104 9.119 9.119 8.959 0.160 17551 4109 1 6 . 1 1 105 105 GLY C C 105 175.730 175.730 174.873 0.857 17551 4110 1 6 . 1 1 105 105 GLY CA C 105 46.925 46.925 44.751 2.174 17551 4111 1 6 . 1 1 106 106 GLY N N 106 105.123 105.123 104.922 0.201 17551 4112 1 6 . 1 1 106 106 GLY C C 106 173.229 173.229 173.122 0.107 17551 4113 1 6 . 1 1 106 106 GLY CA C 106 44.771 44.771 45.315 -0.544 17551 4114 1 6 . 1 1 106 106 GLY H H 106 8.476 8.476 8.417 0.059 17551 4115 1 6 . 1 1 107 107 LYS N N 107 119.187 119.187 117.818 1.369 17551 4116 1 6 . 1 1 107 107 LYS HA H 107 4.856 4.856 4.654 0.202 17551 4117 1 6 . 1 1 107 107 LYS C C 107 174.072 174.072 174.139 -0.067 17551 4118 1 6 . 1 1 107 107 LYS CA C 107 54.240 54.240 54.895 -0.654 17551 4119 1 6 . 1 1 107 107 LYS CB C 107 34.508 34.508 36.014 -1.506 17551 4120 1 6 . 1 1 107 107 LYS H H 107 7.639 7.639 7.443 0.196 17551 4121 1 6 . 1 1 108 108 LEU N N 108 122.725 122.725 124.956 -2.231 17551 4122 1 6 . 1 1 108 108 LEU HA H 108 4.793 4.793 5.089 -0.296 17551 4123 1 6 . 1 1 108 108 LEU C C 108 174.906 174.906 174.699 0.207 17551 4124 1 6 . 1 1 108 108 LEU CA C 108 54.275 54.275 53.858 0.417 17551 4125 1 6 . 1 1 108 108 LEU CB C 108 42.801 42.801 42.981 -0.180 17551 4126 1 6 . 1 1 108 108 LEU H H 108 8.481 8.481 8.934 -0.453 17551 4127 1 6 . 1 1 109 109 VAL N N 109 130.844 130.844 127.996 2.848 17551 4128 1 6 . 1 1 109 109 VAL HA H 109 4.953 4.953 5.169 -0.216 17551 4129 1 6 . 1 1 109 109 VAL C C 109 176.004 176.004 174.113 1.891 17551 4130 1 6 . 1 1 109 109 VAL CA C 109 61.541 61.541 59.428 2.112 17551 4131 1 6 . 1 1 109 109 VAL CB C 109 32.721 32.721 34.387 -1.666 17551 4132 1 6 . 1 1 109 109 VAL H H 109 9.391 9.391 8.843 0.548 17551 4133 1 6 . 1 1 110 110 GLU N N 110 130.618 130.618 129.059 1.559 17551 4134 1 6 . 1 1 110 110 GLU HA H 110 5.393 5.393 5.300 0.093 17551 4135 1 6 . 1 1 110 110 GLU C C 110 175.537 175.537 175.313 0.224 17551 4136 1 6 . 1 1 110 110 GLU CA C 110 53.476 53.476 54.420 -0.944 17551 4137 1 6 . 1 1 110 110 GLU H H 110 9.386 9.386 8.843 0.543 17551 4138 1 6 . 1 1 111 111 ILE N N 111 126.952 126.952 124.911 2.041 17551 4139 1 6 . 1 1 111 111 ILE HA H 111 4.910 4.910 4.618 0.292 17551 4140 1 6 . 1 1 111 111 ILE C C 111 175.156 175.156 174.734 0.422 17551 4141 1 6 . 1 1 111 111 ILE CA C 111 59.562 59.562 60.093 -0.531 17551 4142 1 6 . 1 1 111 111 ILE CB C 111 39.029 39.029 40.438 -1.409 17551 4143 1 6 . 1 1 111 111 ILE H H 111 8.912 8.912 8.332 0.580 17551 4144 1 6 . 1 1 112 112 SER N N 112 125.389 125.389 124.496 0.893 17551 4145 1 6 . 1 1 112 112 SER HA H 112 5.524 5.524 5.629 -0.105 17551 4146 1 6 . 1 1 112 112 SER C C 112 172.120 172.120 174.162 -2.042 17551 4147 1 6 . 1 1 112 112 SER CA C 112 55.756 55.756 56.724 -0.968 17551 4148 1 6 . 1 1 112 112 SER CB C 112 64.025 64.025 64.079 -0.054 17551 4149 1 6 . 1 1 112 112 SER H H 112 9.495 9.495 9.036 0.459 17551 4150 1 6 . 1 1 113 113 THR N N 113 119.329 119.329 122.957 -3.628 17551 4151 1 6 . 1 1 113 113 THR HA H 113 5.633 5.633 5.270 0.363 17551 4152 1 6 . 1 1 113 113 THR C C 113 174.911 174.911 173.821 1.090 17551 4153 1 6 . 1 1 113 113 THR CA C 113 60.362 60.362 61.363 -1.001 17551 4154 1 6 . 1 1 113 113 THR CB C 113 70.377 70.377 70.183 0.194 17551 4155 1 6 . 1 1 113 113 THR H H 113 9.274 9.274 9.007 0.267 17551 4156 1 6 . 1 1 114 114 SER N N 114 121.027 121.027 121.235 -0.208 17551 4157 1 6 . 1 1 114 114 SER HA H 114 4.479 4.479 5.553 -1.074 17551 4158 1 6 . 1 1 114 114 SER C C 114 174.507 174.507 174.402 0.105 17551 4159 1 6 . 1 1 114 114 SER CA C 114 57.423 57.423 57.380 0.042 17551 4160 1 6 . 1 1 114 114 SER CB C 114 64.798 64.798 65.052 -0.254 17551 4161 1 6 . 1 1 114 114 SER H H 114 8.657 8.657 8.983 -0.326 17551 4162 1 6 . 1 1 115 115 SER N N 115 122.405 122.405 121.701 0.704 17551 4163 1 6 . 1 1 115 115 SER HA H 115 4.092 4.092 4.219 -0.127 17551 4164 1 6 . 1 1 115 115 SER C C 115 174.387 174.387 174.392 -0.005 17551 4165 1 6 . 1 1 115 115 SER CA C 115 58.417 58.417 59.593 -1.176 17551 4166 1 6 . 1 1 115 115 SER CB C 115 61.860 61.860 61.459 0.401 17551 4167 1 6 . 1 1 115 115 SER H H 115 9.265 9.265 9.066 0.199 17551 4168 1 6 . 1 1 116 116 GLY N N 116 103.741 103.741 104.227 -0.486 17551 4169 1 6 . 1 1 116 116 GLY C C 116 173.618 173.618 174.200 -0.582 17551 4170 1 6 . 1 1 116 116 GLY CA C 116 44.584 44.584 44.696 -0.112 17551 4171 1 6 . 1 1 116 116 GLY H H 116 8.730 8.730 8.356 0.374 17551 4172 1 6 . 1 1 117 117 VAL N N 117 123.819 123.819 124.760 -0.941 17551 4173 1 6 . 1 1 117 117 VAL HA H 117 4.242 4.242 4.194 0.048 17551 4174 1 6 . 1 1 117 117 VAL C C 117 173.712 173.712 174.866 -1.154 17551 4175 1 6 . 1 1 117 117 VAL CA C 117 61.946 61.946 62.236 -0.291 17551 4176 1 6 . 1 1 117 117 VAL CB C 117 32.244 32.244 32.049 0.195 17551 4177 1 6 . 1 1 117 117 VAL H H 117 8.177 8.177 7.796 0.381 17551 4178 1 6 . 1 1 118 118 VAL N N 118 127.074 127.074 128.916 -1.842 17551 4179 1 6 . 1 1 118 118 VAL HA H 118 4.519 4.519 4.406 0.113 17551 4180 1 6 . 1 1 118 118 VAL C C 118 174.793 174.793 174.219 0.574 17551 4181 1 6 . 1 1 118 118 VAL CA C 118 61.227 61.227 60.334 0.893 17551 4182 1 6 . 1 1 118 118 VAL CB C 118 32.503 32.503 32.620 -0.117 17551 4183 1 6 . 1 1 118 118 VAL H H 118 8.441 8.441 8.553 -0.112 17551 4184 1 6 . 1 1 119 119 TYR N N 119 131.178 131.178 132.223 -1.045 17551 4185 1 6 . 1 1 119 119 TYR HA H 119 5.095 5.095 4.979 0.116 17551 4186 1 6 . 1 1 119 119 TYR C C 119 173.029 173.029 173.852 -0.823 17551 4187 1 6 . 1 1 119 119 TYR CA C 119 54.862 54.862 55.797 -0.935 17551 4188 1 6 . 1 1 119 119 TYR CB C 119 40.213 40.213 39.319 0.894 17551 4189 1 6 . 1 1 119 119 TYR H H 119 9.315 9.315 9.161 0.154 17551 4190 1 6 . 1 1 120 120 LYS N N 120 126.654 126.654 128.745 -2.091 17551 4191 1 6 . 1 1 120 120 LYS HA H 120 4.922 4.922 5.158 -0.236 17551 4192 1 6 . 1 1 120 120 LYS C C 120 173.813 173.813 175.030 -1.217 17551 4193 1 6 . 1 1 120 120 LYS CA C 120 53.685 53.685 54.343 -0.658 17551 4194 1 6 . 1 1 120 120 LYS CB C 120 36.014 36.014 35.226 0.788 17551 4195 1 6 . 1 1 120 120 LYS H H 120 7.342 7.342 8.305 -0.963 17551 4196 1 6 . 1 1 121 121 ARG N N 121 124.124 124.124 121.885 2.239 17551 4197 1 6 . 1 1 121 121 ARG HA H 121 4.798 4.798 5.062 -0.264 17551 4198 1 6 . 1 1 121 121 ARG C C 121 174.874 174.874 174.985 -0.111 17551 4199 1 6 . 1 1 121 121 ARG CB C 121 34.257 34.257 32.986 1.271 17551 4200 1 6 . 1 1 121 121 ARG H H 121 9.087 9.087 8.751 0.336 17551 4201 1 6 . 1 1 122 122 THR N N 122 122.859 122.859 122.127 0.732 17551 4202 1 6 . 1 1 122 122 THR HA H 122 5.224 5.224 5.220 0.004 17551 4203 1 6 . 1 1 122 122 THR C C 122 174.321 174.321 173.975 0.346 17551 4204 1 6 . 1 1 122 122 THR CA C 122 62.177 62.177 61.836 0.341 17551 4205 1 6 . 1 1 122 122 THR CB C 122 69.459 69.459 70.261 -0.802 17551 4206 1 6 . 1 1 122 122 THR H H 122 9.358 9.358 9.082 0.276 17551 4207 1 6 . 1 1 123 123 SER N N 123 123.389 123.389 123.088 0.301 17551 4208 1 6 . 1 1 123 123 SER HA H 123 5.196 5.196 5.379 -0.183 17551 4209 1 6 . 1 1 123 123 SER C C 123 172.464 172.464 173.461 -0.997 17551 4210 1 6 . 1 1 123 123 SER CA C 123 57.571 57.571 57.504 0.067 17551 4211 1 6 . 1 1 123 123 SER CB C 123 65.697 65.697 66.307 -0.610 17551 4212 1 6 . 1 1 123 123 SER H H 123 9.749 9.749 9.517 0.232 17551 4213 1 6 . 1 1 124 124 LYS N N 124 125.058 125.058 123.868 1.190 17551 4214 1 6 . 1 1 124 124 LYS HA H 124 4.681 4.681 4.463 0.218 17551 4215 1 6 . 1 1 124 124 LYS C C 124 175.141 175.141 175.689 -0.548 17551 4216 1 6 . 1 1 124 124 LYS CA C 124 54.444 54.444 55.875 -1.431 17551 4217 1 6 . 1 1 124 124 LYS CB C 124 33.492 33.492 33.631 -0.139 17551 4218 1 6 . 1 1 124 124 LYS H H 124 8.808 8.808 8.312 0.496 17551 4219 1 6 . 1 1 125 125 LYS N N 125 126.114 126.114 123.789 2.325 17551 4220 1 6 . 1 1 125 125 LYS HA H 125 4.367 4.367 4.864 -0.497 17551 4221 1 6 . 1 1 125 125 LYS C C 125 176.828 176.828 175.456 1.372 17551 4222 1 6 . 1 1 125 125 LYS CA C 125 56.752 56.752 55.206 1.546 17551 4223 1 6 . 1 1 125 125 LYS CB C 125 32.912 32.912 32.842 0.070 17551 4224 1 6 . 1 1 125 125 LYS H H 125 9.215 9.215 8.565 0.650 17551 4225 1 6 . 1 1 126 126 ILE N N 126 125.207 125.207 124.726 0.481 17551 4226 1 6 . 1 1 126 126 ILE HA H 126 4.302 4.302 4.560 -0.258 17551 4227 1 6 . 1 1 126 126 ILE C C 126 175.240 175.240 173.597 1.643 17551 4228 1 6 . 1 1 126 126 ILE CA C 126 60.067 60.067 59.812 0.256 17551 4229 1 6 . 1 1 126 126 ILE CB C 126 38.611 38.611 41.844 -3.233 17551 4230 1 6 . 1 1 126 126 ILE H H 126 8.777 8.777 8.637 0.140 17551 4231 1 7 . 1 1 2 2 PHE N N 2 114.421 114.421 119.046 -4.625 17551 4232 1 7 . 1 1 2 2 PHE HA H 2 4.205 4.205 4.868 -0.663 17551 4233 1 7 . 1 1 2 2 PHE C C 2 177.675 177.675 176.458 1.217 17551 4234 1 7 . 1 1 2 2 PHE CA C 2 59.748 59.748 57.397 2.351 17551 4235 1 7 . 1 1 2 2 PHE CB C 2 41.014 41.014 40.344 0.670 17551 4236 1 7 . 1 1 2 2 PHE H H 2 9.501 9.501 8.111 1.390 17551 4237 1 7 . 1 1 3 3 THR N N 3 118.304 118.304 116.180 2.124 17551 4238 1 7 . 1 1 3 3 THR HA H 3 4.021 4.021 4.339 -0.318 17551 4239 1 7 . 1 1 3 3 THR C C 3 173.811 173.811 175.105 -1.294 17551 4240 1 7 . 1 1 3 3 THR CA C 3 63.646 63.646 64.379 -0.733 17551 4241 1 7 . 1 1 3 3 THR CB C 3 69.230 69.230 68.663 0.567 17551 4242 1 7 . 1 1 3 3 THR H H 3 7.721 7.721 7.959 -0.238 17551 4243 1 7 . 1 1 4 4 GLY N N 4 113.320 113.320 111.686 1.634 17551 4244 1 7 . 1 1 4 4 GLY C C 4 169.382 169.382 171.800 -2.418 17551 4245 1 7 . 1 1 4 4 GLY CA C 4 44.343 44.343 44.570 -0.227 17551 4246 1 7 . 1 1 4 4 GLY H H 4 8.881 8.881 8.273 0.608 17551 4247 1 7 . 1 1 5 5 LYS N N 5 120.330 120.330 120.191 0.139 17551 4248 1 7 . 1 1 5 5 LYS HA H 5 5.255 5.255 5.366 -0.111 17551 4249 1 7 . 1 1 5 5 LYS C C 5 174.306 174.306 174.750 -0.444 17551 4250 1 7 . 1 1 5 5 LYS CA C 5 54.232 54.232 53.946 0.286 17551 4251 1 7 . 1 1 5 5 LYS CB C 5 35.137 35.137 35.654 -0.517 17551 4252 1 7 . 1 1 5 5 LYS H H 5 7.914 7.914 8.164 -0.250 17551 4253 1 7 . 1 1 6 6 TYR N N 6 122.260 122.260 122.146 0.114 17551 4254 1 7 . 1 1 6 6 TYR HA H 6 5.617 5.617 5.883 -0.266 17551 4255 1 7 . 1 1 6 6 TYR C C 6 174.519 174.519 175.613 -1.094 17551 4256 1 7 . 1 1 6 6 TYR CA C 6 55.158 55.158 56.206 -1.048 17551 4257 1 7 . 1 1 6 6 TYR CB C 6 41.637 41.637 42.520 -0.883 17551 4258 1 7 . 1 1 6 6 TYR H H 6 9.736 9.736 8.645 1.091 17551 4259 1 7 . 1 1 7 7 GLU N N 7 122.025 122.025 120.430 1.595 17551 4260 1 7 . 1 1 7 7 GLU HA H 7 5.096 5.096 5.178 -0.082 17551 4261 1 7 . 1 1 7 7 GLU C C 7 174.888 174.888 175.566 -0.678 17551 4262 1 7 . 1 1 7 7 GLU CA C 7 53.988 53.988 53.450 0.537 17551 4263 1 7 . 1 1 7 7 GLU CB C 7 33.716 33.716 34.774 -1.058 17551 4264 1 7 . 1 1 7 7 GLU H H 7 9.461 9.461 8.654 0.807 17551 4265 1 7 . 1 1 8 8 PHE N N 8 126.529 126.529 121.753 4.776 17551 4266 1 7 . 1 1 8 8 PHE HA H 8 4.599 4.599 4.367 0.232 17551 4267 1 7 . 1 1 8 8 PHE C C 8 172.999 172.999 174.934 -1.935 17551 4268 1 7 . 1 1 8 8 PHE CA C 8 59.847 59.847 59.864 -0.016 17551 4269 1 7 . 1 1 8 8 PHE CB C 8 40.687 40.687 39.547 1.140 17551 4270 1 7 . 1 1 8 8 PHE H H 8 7.986 7.986 8.975 -0.989 17551 4271 1 7 . 1 1 9 9 GLU N N 9 129.046 129.046 127.099 1.947 17551 4272 1 7 . 1 1 9 9 GLU HA H 9 4.306 4.306 4.276 0.030 17551 4273 1 7 . 1 1 9 9 GLU C C 9 174.528 174.528 175.225 -0.697 17551 4274 1 7 . 1 1 9 9 GLU CA C 9 56.545 56.545 56.395 0.150 17551 4275 1 7 . 1 1 9 9 GLU CB C 9 32.798 32.798 32.462 0.336 17551 4276 1 7 . 1 1 9 9 GLU H H 9 9.151 9.151 8.226 0.925 17551 4277 1 7 . 1 1 10 10 SER N N 10 111.041 111.041 113.613 -2.572 17551 4278 1 7 . 1 1 10 10 SER HA H 10 4.258 4.258 4.611 -0.353 17551 4279 1 7 . 1 1 10 10 SER C C 10 171.216 171.216 172.152 -0.936 17551 4280 1 7 . 1 1 10 10 SER CA C 10 57.930 57.930 57.487 0.443 17551 4281 1 7 . 1 1 10 10 SER CB C 10 64.720 64.720 66.454 -1.734 17551 4282 1 7 . 1 1 10 10 SER H H 10 7.612 7.612 7.813 -0.201 17551 4283 1 7 . 1 1 11 11 ASP N N 11 118.058 118.058 118.886 -0.828 17551 4284 1 7 . 1 1 11 11 ASP HA H 11 5.500 5.500 5.221 0.279 17551 4285 1 7 . 1 1 11 11 ASP C C 11 174.845 174.845 174.679 0.166 17551 4286 1 7 . 1 1 11 11 ASP CA C 11 51.633 51.633 53.432 -1.799 17551 4287 1 7 . 1 1 11 11 ASP H H 11 8.632 8.632 8.411 0.221 17551 4288 1 7 . 1 1 12 12 GLU N N 12 117.523 117.523 120.826 -3.303 17551 4289 1 7 . 1 1 12 12 GLU HA H 12 4.782 4.782 4.695 0.087 17551 4290 1 7 . 1 1 12 12 GLU C C 12 175.293 175.293 176.188 -0.895 17551 4291 1 7 . 1 1 12 12 GLU CB C 12 33.450 33.450 33.091 0.359 17551 4292 1 7 . 1 1 12 12 GLU H H 12 8.562 8.562 9.086 -0.524 17551 4293 1 7 . 1 1 13 13 ASN N N 13 118.877 118.877 121.441 -2.564 17551 4294 1 7 . 1 1 13 13 ASN HA H 13 4.742 4.742 4.492 0.250 17551 4295 1 7 . 1 1 13 13 ASN C C 13 175.303 175.303 175.336 -0.033 17551 4296 1 7 . 1 1 13 13 ASN CA C 13 53.373 53.373 54.485 -1.112 17551 4297 1 7 . 1 1 13 13 ASN CB C 13 37.207 37.207 37.084 0.123 17551 4298 1 7 . 1 1 13 13 ASN H H 13 9.110 9.110 9.159 -0.049 17551 4299 1 7 . 1 1 14 14 TYR N N 14 118.061 118.061 120.737 -2.676 17551 4300 1 7 . 1 1 14 14 TYR HA H 14 4.015 4.015 4.214 -0.199 17551 4301 1 7 . 1 1 14 14 TYR C C 14 176.581 176.581 176.648 -0.067 17551 4302 1 7 . 1 1 14 14 TYR CA C 14 62.797 62.797 63.477 -0.680 17551 4303 1 7 . 1 1 14 14 TYR CB C 14 38.998 38.998 38.607 0.391 17551 4304 1 7 . 1 1 14 14 TYR H H 14 8.731 8.731 7.807 0.924 17551 4305 1 7 . 1 1 15 15 ASP N N 15 115.317 115.317 117.511 -2.194 17551 4306 1 7 . 1 1 15 15 ASP HA H 15 4.112 4.112 4.347 -0.235 17551 4307 1 7 . 1 1 15 15 ASP C C 15 178.333 178.333 178.147 0.186 17551 4308 1 7 . 1 1 15 15 ASP CA C 15 57.819 57.819 59.234 -1.415 17551 4309 1 7 . 1 1 15 15 ASP CB C 15 40.410 40.410 40.178 0.231 17551 4310 1 7 . 1 1 15 15 ASP H H 15 8.316 8.316 9.090 -0.774 17551 4311 1 7 . 1 1 16 16 ASP N N 16 117.774 117.774 119.963 -2.189 17551 4312 1 7 . 1 1 16 16 ASP HA H 16 4.392 4.392 4.379 0.013 17551 4313 1 7 . 1 1 16 16 ASP C C 16 178.597 178.597 178.259 0.338 17551 4314 1 7 . 1 1 16 16 ASP CA C 16 56.348 56.348 57.188 -0.840 17551 4315 1 7 . 1 1 16 16 ASP CB C 16 39.883 39.883 40.886 -1.003 17551 4316 1 7 . 1 1 16 16 ASP H H 16 8.449 8.449 8.305 0.144 17551 4317 1 7 . 1 1 17 17 PHE N N 17 120.363 120.363 121.097 -0.734 17551 4318 1 7 . 1 1 17 17 PHE HA H 17 4.068 4.068 4.102 -0.034 17551 4319 1 7 . 1 1 17 17 PHE C C 17 176.755 176.755 176.827 -0.072 17551 4320 1 7 . 1 1 17 17 PHE CA C 17 61.840 61.840 61.233 0.607 17551 4321 1 7 . 1 1 17 17 PHE CB C 17 39.794 39.794 38.968 0.826 17551 4322 1 7 . 1 1 17 17 PHE H H 17 7.931 7.931 8.163 -0.232 17551 4323 1 7 . 1 1 18 18 VAL N N 18 110.180 110.180 117.358 -7.178 17551 4324 1 7 . 1 1 18 18 VAL HA H 18 3.595 3.595 3.257 0.338 17551 4325 1 7 . 1 1 18 18 VAL C C 18 178.434 178.434 177.645 0.789 17551 4326 1 7 . 1 1 18 18 VAL CA C 18 64.697 64.697 66.392 -1.695 17551 4327 1 7 . 1 1 18 18 VAL CB C 18 29.602 29.602 31.130 -1.528 17551 4328 1 7 . 1 1 18 18 VAL H H 18 8.294 8.294 8.220 0.074 17551 4329 1 7 . 1 1 19 19 LYS N N 19 119.749 119.749 118.354 1.395 17551 4330 1 7 . 1 1 19 19 LYS HA H 19 4.108 4.108 4.066 0.042 17551 4331 1 7 . 1 1 19 19 LYS C C 19 179.796 179.796 178.993 0.803 17551 4332 1 7 . 1 1 19 19 LYS CA C 19 58.320 58.320 58.218 0.102 17551 4333 1 7 . 1 1 19 19 LYS CB C 19 31.918 31.918 31.887 0.031 17551 4334 1 7 . 1 1 19 19 LYS H H 19 7.382 7.382 8.414 -1.032 17551 4335 1 7 . 1 1 20 20 LYS N N 20 121.187 121.187 120.001 1.186 17551 4336 1 7 . 1 1 20 20 LYS HA H 20 4.071 4.071 4.118 -0.047 17551 4337 1 7 . 1 1 20 20 LYS C C 20 179.071 179.071 178.706 0.365 17551 4338 1 7 . 1 1 20 20 LYS CA C 20 57.347 57.347 58.444 -1.097 17551 4339 1 7 . 1 1 20 20 LYS CB C 20 30.633 30.633 32.490 -1.857 17551 4340 1 7 . 1 1 20 20 LYS H H 20 7.718 7.718 7.314 0.404 17551 4341 1 7 . 1 1 21 21 ILE N N 21 109.363 109.363 112.124 -2.761 17551 4342 1 7 . 1 1 21 21 ILE HA H 21 4.212 4.212 4.012 0.200 17551 4343 1 7 . 1 1 21 21 ILE C C 21 176.366 176.366 176.150 0.216 17551 4344 1 7 . 1 1 21 21 ILE CA C 21 61.610 61.610 61.699 -0.089 17551 4345 1 7 . 1 1 21 21 ILE CB C 21 36.968 36.968 38.019 -1.051 17551 4346 1 7 . 1 1 21 21 ILE H H 21 7.591 7.591 7.669 -0.078 17551 4347 1 7 . 1 1 22 22 GLY N N 22 107.961 107.961 107.735 0.226 17551 4348 1 7 . 1 1 22 22 GLY C C 22 174.877 174.877 174.760 0.117 17551 4349 1 7 . 1 1 22 22 GLY CA C 22 45.510 45.510 44.752 0.757 17551 4350 1 7 . 1 1 22 22 GLY H H 22 7.260 7.260 7.276 -0.016 17551 4351 1 7 . 1 1 23 23 LEU N N 23 120.597 120.597 122.571 -1.974 17551 4352 1 7 . 1 1 23 23 LEU HA H 23 4.207 4.207 4.420 -0.213 17551 4353 1 7 . 1 1 23 23 LEU CA C 23 52.923 52.923 52.991 -0.068 17551 4354 1 7 . 1 1 23 23 LEU CB C 23 42.241 42.241 42.766 -0.525 17551 4355 1 7 . 1 1 23 23 LEU H H 23 7.314 7.314 7.828 -0.514 17551 4356 1 7 . 1 1 24 24 PRO HA H 24 4.537 4.537 4.478 0.059 17551 4357 1 7 . 1 1 24 24 PRO C C 24 177.702 177.702 177.578 0.124 17551 4358 1 7 . 1 1 24 24 PRO CA C 24 61.891 61.891 62.563 -0.672 17551 4359 1 7 . 1 1 24 24 PRO CB C 24 32.260 32.260 32.612 -0.352 17551 4360 1 7 . 1 1 25 25 ALA N N 25 123.142 123.142 127.141 -3.999 17551 4361 1 7 . 1 1 25 25 ALA HA H 25 3.935 3.935 3.919 0.016 17551 4362 1 7 . 1 1 25 25 ALA C C 25 179.461 179.461 179.670 -0.209 17551 4363 1 7 . 1 1 25 25 ALA CA C 25 55.314 55.314 55.239 0.076 17551 4364 1 7 . 1 1 25 25 ALA CB C 25 18.220 18.220 18.372 -0.152 17551 4365 1 7 . 1 1 25 25 ALA H H 25 8.738 8.738 8.690 0.048 17551 4366 1 7 . 1 1 26 26 ASP N N 26 115.440 115.440 116.759 -1.319 17551 4367 1 7 . 1 1 26 26 ASP HA H 26 4.379 4.379 4.436 -0.057 17551 4368 1 7 . 1 1 26 26 ASP C C 26 179.291 179.291 177.855 1.436 17551 4369 1 7 . 1 1 26 26 ASP CA C 26 56.015 56.015 56.968 -0.953 17551 4370 1 7 . 1 1 26 26 ASP CB C 26 38.136 38.136 40.718 -2.582 17551 4371 1 7 . 1 1 26 26 ASP H H 26 8.971 8.971 8.632 0.339 17551 4372 1 7 . 1 1 27 27 LYS N N 27 122.292 122.292 117.195 5.097 17551 4373 1 7 . 1 1 27 27 LYS HA H 27 4.160 4.160 4.350 -0.190 17551 4374 1 7 . 1 1 27 27 LYS C C 27 177.758 177.758 178.714 -0.956 17551 4375 1 7 . 1 1 27 27 LYS CA C 27 58.022 58.022 57.035 0.987 17551 4376 1 7 . 1 1 27 27 LYS CB C 27 31.334 31.334 32.726 -1.392 17551 4377 1 7 . 1 1 27 27 LYS H H 27 7.434 7.434 7.632 -0.198 17551 4378 1 7 . 1 1 28 28 ILE N N 28 119.737 119.737 121.999 -2.262 17551 4379 1 7 . 1 1 28 28 ILE HA H 28 3.586 3.586 3.759 -0.173 17551 4380 1 7 . 1 1 28 28 ILE C C 28 180.386 180.386 178.730 1.656 17551 4381 1 7 . 1 1 28 28 ILE CA C 28 65.027 65.027 65.685 -0.658 17551 4382 1 7 . 1 1 28 28 ILE CB C 28 37.002 37.002 38.014 -1.012 17551 4383 1 7 . 1 1 28 28 ILE H H 28 8.016 8.016 8.612 -0.596 17551 4384 1 7 . 1 1 29 29 GLU N N 29 117.216 117.216 118.118 -0.902 17551 4385 1 7 . 1 1 29 29 GLU HA H 29 4.294 4.294 4.127 0.167 17551 4386 1 7 . 1 1 29 29 GLU C C 29 179.024 179.024 179.174 -0.150 17551 4387 1 7 . 1 1 29 29 GLU CA C 29 58.139 58.139 58.947 -0.808 17551 4388 1 7 . 1 1 29 29 GLU CB C 29 28.028 28.028 29.101 -1.073 17551 4389 1 7 . 1 1 29 29 GLU H H 29 7.755 7.755 8.108 -0.353 17551 4390 1 7 . 1 1 30 30 MET N N 30 119.183 119.183 120.190 -1.007 17551 4391 1 7 . 1 1 30 30 MET HA H 30 4.194 4.194 4.448 -0.254 17551 4392 1 7 . 1 1 30 30 MET C C 30 177.683 177.683 177.134 0.549 17551 4393 1 7 . 1 1 30 30 MET CA C 30 58.150 58.150 56.772 1.378 17551 4394 1 7 . 1 1 30 30 MET CB C 30 33.162 33.162 32.819 0.343 17551 4395 1 7 . 1 1 30 30 MET H H 30 7.659 7.659 7.804 -0.145 17551 4396 1 7 . 1 1 31 31 GLY N N 31 102.603 102.603 104.373 -1.770 17551 4397 1 7 . 1 1 31 31 GLY C C 31 172.264 172.264 173.445 -1.181 17551 4398 1 7 . 1 1 31 31 GLY CA C 31 45.433 45.433 44.619 0.814 17551 4399 1 7 . 1 1 31 31 GLY H H 31 7.839 7.839 8.170 -0.331 17551 4400 1 7 . 1 1 32 32 ARG N N 32 121.453 121.453 119.510 1.943 17551 4401 1 7 . 1 1 32 32 ARG HA H 32 3.072 3.072 4.250 -1.178 17551 4402 1 7 . 1 1 32 32 ARG C C 32 175.932 175.932 175.362 0.570 17551 4403 1 7 . 1 1 32 32 ARG CA C 32 56.894 56.894 55.222 1.672 17551 4404 1 7 . 1 1 32 32 ARG CB C 32 29.004 29.004 30.908 -1.904 17551 4405 1 7 . 1 1 32 32 ARG H H 32 6.954 6.954 7.728 -0.774 17551 4406 1 7 . 1 1 33 33 ASN N N 33 127.905 127.905 116.855 11.050 17551 4407 1 7 . 1 1 33 33 ASN HA H 33 4.066 4.066 3.606 0.460 17551 4408 1 7 . 1 1 33 33 ASN C C 33 173.939 173.939 174.029 -0.090 17551 4409 1 7 . 1 1 33 33 ASN CA C 33 53.539 53.539 54.020 -0.481 17551 4410 1 7 . 1 1 33 33 ASN CB C 33 37.017 37.017 37.736 -0.719 17551 4411 1 7 . 1 1 33 33 ASN H H 33 8.990 8.990 8.290 0.700 17551 4412 1 7 . 1 1 34 34 CYS N N 34 116.649 116.649 117.906 -1.257 17551 4413 1 7 . 1 1 34 34 CYS HA H 34 4.018 4.018 4.438 -0.420 17551 4414 1 7 . 1 1 34 34 CYS C C 34 175.384 175.384 175.126 0.258 17551 4415 1 7 . 1 1 34 34 CYS CA C 34 57.216 57.216 58.382 -1.166 17551 4416 1 7 . 1 1 34 34 CYS CB C 34 27.200 27.200 29.891 -2.691 17551 4417 1 7 . 1 1 34 34 CYS H H 34 7.443 7.443 7.654 -0.211 17551 4418 1 7 . 1 1 35 35 LYS N N 35 130.727 130.727 124.572 6.155 17551 4419 1 7 . 1 1 35 35 LYS HA H 35 4.296 4.296 4.410 -0.114 17551 4420 1 7 . 1 1 35 35 LYS C C 35 175.272 175.272 175.174 0.098 17551 4421 1 7 . 1 1 35 35 LYS CA C 35 55.577 55.577 55.702 -0.125 17551 4422 1 7 . 1 1 35 35 LYS CB C 35 29.487 29.487 30.527 -1.040 17551 4423 1 7 . 1 1 35 35 LYS H H 35 8.691 8.691 8.585 0.106 17551 4424 1 7 . 1 1 36 36 ILE N N 36 125.658 125.658 124.799 0.859 17551 4425 1 7 . 1 1 36 36 ILE HA H 36 4.010 4.010 4.653 -0.643 17551 4426 1 7 . 1 1 36 36 ILE C C 36 177.115 177.115 175.936 1.179 17551 4427 1 7 . 1 1 36 36 ILE CA C 36 62.608 62.608 58.929 3.679 17551 4428 1 7 . 1 1 36 36 ILE CB C 36 39.739 39.739 37.054 2.685 17551 4429 1 7 . 1 1 36 36 ILE H H 36 7.658 7.658 8.133 -0.475 17551 4430 1 7 . 1 1 37 37 VAL N N 37 130.730 130.730 129.698 1.032 17551 4431 1 7 . 1 1 37 37 VAL HA H 37 5.105 5.105 5.052 0.053 17551 4432 1 7 . 1 1 37 37 VAL C C 37 175.295 175.295 176.056 -0.761 17551 4433 1 7 . 1 1 37 37 VAL CA C 37 60.845 60.845 61.697 -0.852 17551 4434 1 7 . 1 1 37 37 VAL CB C 37 33.716 33.716 32.735 0.981 17551 4435 1 7 . 1 1 37 37 VAL H H 37 7.909 7.909 8.267 -0.358 17551 4436 1 7 . 1 1 38 38 THR N N 38 127.066 127.066 125.716 1.350 17551 4437 1 7 . 1 1 38 38 THR HA H 38 5.405 5.405 5.381 0.024 17551 4438 1 7 . 1 1 38 38 THR C C 38 174.035 174.035 174.074 -0.039 17551 4439 1 7 . 1 1 38 38 THR CA C 38 61.303 61.303 61.174 0.129 17551 4440 1 7 . 1 1 38 38 THR CB C 38 70.474 70.474 69.602 0.872 17551 4441 1 7 . 1 1 38 38 THR H H 38 9.393 9.393 9.122 0.271 17551 4442 1 7 . 1 1 39 39 GLU N N 39 126.804 126.804 129.583 -2.779 17551 4443 1 7 . 1 1 39 39 GLU HA H 39 5.216 5.216 4.640 0.576 17551 4444 1 7 . 1 1 39 39 GLU C C 39 174.379 174.379 174.968 -0.589 17551 4445 1 7 . 1 1 39 39 GLU CA C 39 54.232 54.232 55.977 -1.744 17551 4446 1 7 . 1 1 39 39 GLU CB C 39 32.531 32.531 31.285 1.246 17551 4447 1 7 . 1 1 39 39 GLU H H 39 9.728 9.728 8.630 1.098 17551 4448 1 7 . 1 1 40 40 VAL N N 40 125.405 125.405 126.368 -0.963 17551 4449 1 7 . 1 1 40 40 VAL HA H 40 4.859 4.859 5.041 -0.182 17551 4450 1 7 . 1 1 40 40 VAL C C 40 176.139 176.139 175.464 0.675 17551 4451 1 7 . 1 1 40 40 VAL CA C 40 60.091 60.091 60.673 -0.582 17551 4452 1 7 . 1 1 40 40 VAL CB C 40 33.952 33.952 33.378 0.574 17551 4453 1 7 . 1 1 40 40 VAL H H 40 9.326 9.326 8.920 0.406 17551 4454 1 7 . 1 1 41 41 VAL N N 41 127.197 127.197 127.610 -0.413 17551 4455 1 7 . 1 1 41 41 VAL HA H 41 4.144 4.144 4.420 -0.276 17551 4456 1 7 . 1 1 41 41 VAL C C 41 173.604 173.604 174.418 -0.814 17551 4457 1 7 . 1 1 41 41 VAL CA C 41 62.522 62.522 60.963 1.559 17551 4458 1 7 . 1 1 41 41 VAL CB C 41 33.757 33.757 33.438 0.319 17551 4459 1 7 . 1 1 41 41 VAL H H 41 8.811 8.811 8.050 0.761 17551 4460 1 7 . 1 1 42 42 GLN N N 42 130.317 130.317 127.453 2.864 17551 4461 1 7 . 1 1 42 42 GLN HA H 42 4.430 4.430 4.218 0.212 17551 4462 1 7 . 1 1 42 42 GLN C C 42 174.239 174.239 174.776 -0.537 17551 4463 1 7 . 1 1 42 42 GLN CA C 42 52.960 52.960 56.092 -3.132 17551 4464 1 7 . 1 1 42 42 GLN CB C 42 29.877 29.877 29.008 0.869 17551 4465 1 7 . 1 1 42 42 GLN H H 42 8.345 8.345 8.729 -0.384 17551 4466 1 7 . 1 1 43 43 ASN N N 43 125.513 125.513 125.303 0.210 17551 4467 1 7 . 1 1 43 43 ASN HA H 43 4.826 4.826 4.856 -0.030 17551 4468 1 7 . 1 1 43 43 ASN C C 43 175.350 175.350 174.870 0.480 17551 4469 1 7 . 1 1 43 43 ASN CA C 43 51.303 51.303 52.959 -1.656 17551 4470 1 7 . 1 1 43 43 ASN CB C 43 39.051 39.051 39.674 -0.623 17551 4471 1 7 . 1 1 43 43 ASN H H 43 8.772 8.772 8.011 0.761 17551 4472 1 7 . 1 1 44 44 GLY N N 44 115.694 115.694 110.691 5.003 17551 4473 1 7 . 1 1 44 44 GLY C C 44 173.199 173.199 174.960 -1.761 17551 4474 1 7 . 1 1 44 44 GLY CA C 44 46.964 46.964 47.101 -0.137 17551 4475 1 7 . 1 1 44 44 GLY H H 44 9.187 9.187 8.464 0.723 17551 4476 1 7 . 1 1 45 45 ASN N N 45 125.520 125.520 123.524 1.996 17551 4477 1 7 . 1 1 45 45 ASN HA H 45 4.991 4.991 4.754 0.237 17551 4478 1 7 . 1 1 45 45 ASN C C 45 173.822 173.822 173.940 -0.118 17551 4479 1 7 . 1 1 45 45 ASN CA C 45 52.215 52.215 52.756 -0.541 17551 4480 1 7 . 1 1 45 45 ASN CB C 45 38.700 38.700 39.989 -1.289 17551 4481 1 7 . 1 1 45 45 ASN H H 45 8.854 8.854 8.251 0.603 17551 4482 1 7 . 1 1 46 46 ASP N N 46 120.842 120.842 121.299 -0.457 17551 4483 1 7 . 1 1 46 46 ASP HA H 46 5.185 5.185 5.060 0.125 17551 4484 1 7 . 1 1 46 46 ASP C C 46 174.705 174.705 174.774 -0.069 17551 4485 1 7 . 1 1 46 46 ASP CA C 46 53.658 53.658 52.834 0.824 17551 4486 1 7 . 1 1 46 46 ASP CB C 46 41.025 41.025 39.912 1.113 17551 4487 1 7 . 1 1 46 46 ASP H H 46 7.921 7.921 7.715 0.206 17551 4488 1 7 . 1 1 47 47 PHE N N 47 121.470 121.470 122.433 -0.963 17551 4489 1 7 . 1 1 47 47 PHE HA H 47 5.161 5.161 4.959 0.202 17551 4490 1 7 . 1 1 47 47 PHE C C 47 177.125 177.125 175.948 1.177 17551 4491 1 7 . 1 1 47 47 PHE CA C 47 56.591 56.591 56.432 0.159 17551 4492 1 7 . 1 1 47 47 PHE CB C 47 44.035 44.035 40.954 3.081 17551 4493 1 7 . 1 1 47 47 PHE H H 47 9.263 9.263 7.901 1.362 17551 4494 1 7 . 1 1 48 48 THR N N 48 116.950 116.950 115.980 0.970 17551 4495 1 7 . 1 1 48 48 THR HA H 48 4.861 4.861 4.879 -0.018 17551 4496 1 7 . 1 1 48 48 THR C C 48 172.499 172.499 174.171 -1.672 17551 4497 1 7 . 1 1 48 48 THR CA C 48 62.943 62.943 61.248 1.695 17551 4498 1 7 . 1 1 48 48 THR CB C 48 70.360 70.360 69.867 0.493 17551 4499 1 7 . 1 1 48 48 THR H H 48 8.831 8.831 8.380 0.451 17551 4500 1 7 . 1 1 49 49 TRP N N 49 132.266 132.266 128.815 3.451 17551 4501 1 7 . 1 1 49 49 TRP HA H 49 4.955 4.955 4.989 -0.034 17551 4502 1 7 . 1 1 49 49 TRP C C 49 175.842 175.842 175.244 0.598 17551 4503 1 7 . 1 1 49 49 TRP CA C 49 57.286 57.286 56.480 0.806 17551 4504 1 7 . 1 1 49 49 TRP CB C 49 31.894 31.894 31.431 0.463 17551 4505 1 7 . 1 1 49 49 TRP H H 49 9.914 9.914 9.654 0.260 17551 4506 1 7 . 1 1 50 50 THR N N 50 131.707 131.707 123.256 8.451 17551 4507 1 7 . 1 1 50 50 THR HA H 50 5.928 5.928 4.690 1.238 17551 4508 1 7 . 1 1 50 50 THR C C 50 173.408 173.408 173.348 0.060 17551 4509 1 7 . 1 1 50 50 THR CA C 50 60.993 60.993 61.627 -0.634 17551 4510 1 7 . 1 1 50 50 THR CB C 50 70.957 70.957 69.549 1.408 17551 4511 1 7 . 1 1 50 50 THR H H 50 9.524 9.524 8.362 1.162 17551 4512 1 7 . 1 1 51 51 GLN N N 51 124.680 124.680 126.677 -1.997 17551 4513 1 7 . 1 1 51 51 GLN HA H 51 5.056 5.056 4.934 0.122 17551 4514 1 7 . 1 1 51 51 GLN C C 51 175.328 175.328 174.967 0.361 17551 4515 1 7 . 1 1 51 51 GLN CA C 51 56.309 56.309 54.572 1.737 17551 4516 1 7 . 1 1 51 51 GLN CB C 51 29.046 29.046 30.446 -1.400 17551 4517 1 7 . 1 1 51 51 GLN H H 51 9.456 9.456 9.136 0.320 17551 4518 1 7 . 1 1 52 52 HIS N N 52 122.268 122.268 125.148 -2.880 17551 4519 1 7 . 1 1 52 52 HIS HA H 52 5.051 5.051 4.925 0.126 17551 4520 1 7 . 1 1 52 52 HIS C C 52 174.819 174.819 173.774 1.045 17551 4521 1 7 . 1 1 52 52 HIS CA C 52 54.039 54.039 55.137 -1.098 17551 4522 1 7 . 1 1 52 52 HIS CB C 52 29.432 29.432 32.044 -2.612 17551 4523 1 7 . 1 1 52 52 HIS H H 52 9.534 9.534 8.948 0.586 17551 4524 1 7 . 1 1 53 53 PHE N N 53 129.837 129.837 124.692 5.145 17551 4525 1 7 . 1 1 53 53 PHE HA H 53 4.584 4.584 4.976 -0.392 17551 4526 1 7 . 1 1 53 53 PHE CA C 53 56.312 56.312 53.352 2.960 17551 4527 1 7 . 1 1 53 53 PHE CB C 53 40.660 40.660 41.921 -1.261 17551 4528 1 7 . 1 1 53 53 PHE H H 53 8.641 8.641 9.021 -0.380 17551 4529 1 7 . 1 1 54 54 PRO HA H 54 4.291 4.291 4.362 -0.071 17551 4530 1 7 . 1 1 54 54 PRO C C 54 177.389 177.389 176.669 0.720 17551 4531 1 7 . 1 1 54 54 PRO CA C 54 63.569 63.569 63.630 -0.062 17551 4532 1 7 . 1 1 54 54 PRO CB C 54 30.471 30.471 31.111 -0.640 17551 4533 1 7 . 1 1 55 55 GLY N N 55 113.867 113.867 112.664 1.203 17551 4534 1 7 . 1 1 55 55 GLY C C 55 175.164 175.164 174.095 1.069 17551 4535 1 7 . 1 1 55 55 GLY CA C 55 45.258 45.258 45.126 0.132 17551 4536 1 7 . 1 1 55 55 GLY H H 55 8.926 8.926 8.596 0.330 17551 4537 1 7 . 1 1 56 56 GLY N N 56 108.877 108.877 108.505 0.372 17551 4538 1 7 . 1 1 56 56 GLY C C 56 174.054 174.054 172.847 1.207 17551 4539 1 7 . 1 1 56 56 GLY CA C 56 44.534 44.534 44.631 -0.097 17551 4540 1 7 . 1 1 56 56 GLY H H 56 8.426 8.426 7.832 0.594 17551 4541 1 7 . 1 1 57 57 ARG N N 57 123.871 123.871 118.622 5.249 17551 4542 1 7 . 1 1 57 57 ARG HA H 57 4.483 4.483 4.529 -0.046 17551 4543 1 7 . 1 1 57 57 ARG C C 57 176.728 176.728 175.592 1.136 17551 4544 1 7 . 1 1 57 57 ARG CA C 57 56.217 56.217 56.529 -0.312 17551 4545 1 7 . 1 1 57 57 ARG CB C 57 31.388 31.388 30.871 0.517 17551 4546 1 7 . 1 1 57 57 ARG H H 57 8.474 8.474 8.399 0.075 17551 4547 1 7 . 1 1 58 58 THR N N 58 122.156 122.156 117.245 4.911 17551 4548 1 7 . 1 1 58 58 THR HA H 58 5.299 5.299 4.747 0.552 17551 4549 1 7 . 1 1 58 58 THR C C 58 174.092 174.092 173.834 0.258 17551 4550 1 7 . 1 1 58 58 THR CA C 58 62.125 62.125 60.803 1.322 17551 4551 1 7 . 1 1 58 58 THR CB C 58 70.339 70.339 70.360 -0.021 17551 4552 1 7 . 1 1 58 58 THR H H 58 8.818 8.818 8.227 0.591 17551 4553 1 7 . 1 1 59 59 THR N N 59 127.287 127.287 121.625 5.662 17551 4554 1 7 . 1 1 59 59 THR HA H 59 4.505 4.505 4.625 -0.120 17551 4555 1 7 . 1 1 59 59 THR C C 59 172.626 172.626 172.672 -0.046 17551 4556 1 7 . 1 1 59 59 THR CA C 59 62.163 62.163 62.007 0.156 17551 4557 1 7 . 1 1 59 59 THR CB C 59 70.565 70.565 71.306 -0.741 17551 4558 1 7 . 1 1 59 59 THR H H 59 9.281 9.281 8.813 0.468 17551 4559 1 7 . 1 1 60 60 THR N N 60 123.658 123.658 122.653 1.005 17551 4560 1 7 . 1 1 60 60 THR HA H 60 5.105 5.105 5.240 -0.135 17551 4561 1 7 . 1 1 60 60 THR C C 60 172.453 172.453 173.545 -1.092 17551 4562 1 7 . 1 1 60 60 THR CA C 60 61.277 61.277 61.114 0.163 17551 4563 1 7 . 1 1 60 60 THR CB C 60 70.432 70.432 70.407 0.025 17551 4564 1 7 . 1 1 60 60 THR H H 60 8.952 8.952 8.498 0.454 17551 4565 1 7 . 1 1 61 61 ASN N N 61 124.292 124.292 125.831 -1.539 17551 4566 1 7 . 1 1 61 61 ASN HA H 61 5.384 5.384 5.105 0.279 17551 4567 1 7 . 1 1 61 61 ASN C C 61 173.609 173.609 173.989 -0.380 17551 4568 1 7 . 1 1 61 61 ASN CA C 61 52.190 52.190 52.522 -0.332 17551 4569 1 7 . 1 1 61 61 ASN CB C 61 43.987 43.987 42.586 1.401 17551 4570 1 7 . 1 1 61 61 ASN H H 61 8.848 8.848 9.286 -0.438 17551 4571 1 7 . 1 1 62 62 SER N N 62 118.046 118.046 117.896 0.150 17551 4572 1 7 . 1 1 62 62 SER HA H 62 5.659 5.659 5.246 0.413 17551 4573 1 7 . 1 1 62 62 SER C C 62 172.545 172.545 173.335 -0.790 17551 4574 1 7 . 1 1 62 62 SER CA C 62 56.974 56.974 57.321 -0.347 17551 4575 1 7 . 1 1 62 62 SER CB C 62 64.719 64.719 64.306 0.413 17551 4576 1 7 . 1 1 62 62 SER H H 62 8.986 8.986 8.825 0.161 17551 4577 1 7 . 1 1 63 63 PHE N N 63 118.769 118.769 120.825 -2.056 17551 4578 1 7 . 1 1 63 63 PHE HA H 63 5.016 5.016 5.017 -0.001 17551 4579 1 7 . 1 1 63 63 PHE C C 63 172.500 172.500 173.749 -1.249 17551 4580 1 7 . 1 1 63 63 PHE CA C 63 55.793 55.793 56.634 -0.841 17551 4581 1 7 . 1 1 63 63 PHE CB C 63 39.459 39.459 41.587 -2.128 17551 4582 1 7 . 1 1 63 63 PHE H H 63 8.514 8.514 8.146 0.368 17551 4583 1 7 . 1 1 64 64 THR N N 64 120.318 120.318 117.559 2.759 17551 4584 1 7 . 1 1 64 64 THR HA H 64 5.617 5.617 4.718 0.899 17551 4585 1 7 . 1 1 64 64 THR C C 64 175.240 175.240 174.226 1.014 17551 4586 1 7 . 1 1 64 64 THR CA C 64 60.409 60.409 61.346 -0.938 17551 4587 1 7 . 1 1 64 64 THR CB C 64 71.213 71.213 70.950 0.263 17551 4588 1 7 . 1 1 64 64 THR H H 64 9.743 9.743 8.734 1.009 17551 4589 1 7 . 1 1 65 65 ILE N N 65 127.640 127.640 127.040 0.600 17551 4590 1 7 . 1 1 65 65 ILE HA H 65 4.089 4.089 3.842 0.247 17551 4591 1 7 . 1 1 65 65 ILE C C 65 176.477 176.477 177.360 -0.883 17551 4592 1 7 . 1 1 65 65 ILE CA C 65 59.299 59.299 61.953 -2.654 17551 4593 1 7 . 1 1 65 65 ILE CB C 65 35.445 35.445 36.512 -1.067 17551 4594 1 7 . 1 1 65 65 ILE H H 65 8.961 8.961 8.258 0.703 17551 4595 1 7 . 1 1 66 66 ASP N N 66 117.361 117.361 124.172 -6.811 17551 4596 1 7 . 1 1 66 66 ASP HA H 66 4.080 4.080 4.232 -0.152 17551 4597 1 7 . 1 1 66 66 ASP C C 66 174.730 174.730 174.320 0.410 17551 4598 1 7 . 1 1 66 66 ASP CA C 66 57.150 57.150 56.012 1.138 17551 4599 1 7 . 1 1 66 66 ASP CB C 66 38.442 38.442 40.474 -2.032 17551 4600 1 7 . 1 1 66 66 ASP H H 66 9.264 9.264 9.284 -0.020 17551 4601 1 7 . 1 1 67 67 LYS N N 67 121.171 121.171 119.198 1.973 17551 4602 1 7 . 1 1 67 67 LYS HA H 67 4.805 4.805 4.635 0.170 17551 4603 1 7 . 1 1 67 67 LYS C C 67 175.115 175.115 174.674 0.441 17551 4604 1 7 . 1 1 67 67 LYS CA C 67 53.900 53.900 54.352 -0.452 17551 4605 1 7 . 1 1 67 67 LYS CB C 67 34.256 34.256 35.540 -1.284 17551 4606 1 7 . 1 1 67 67 LYS H H 67 8.185 8.185 7.760 0.425 17551 4607 1 7 . 1 1 68 68 GLU N N 68 130.373 130.373 124.611 5.762 17551 4608 1 7 . 1 1 68 68 GLU HA H 68 4.194 4.194 4.401 -0.207 17551 4609 1 7 . 1 1 68 68 GLU C C 68 175.449 175.449 175.401 0.048 17551 4610 1 7 . 1 1 68 68 GLU CA C 68 58.343 58.343 56.708 1.635 17551 4611 1 7 . 1 1 68 68 GLU H H 68 8.879 8.879 8.696 0.183 17551 4612 1 7 . 1 1 69 69 ALA N N 69 130.113 130.113 126.655 3.458 17551 4613 1 7 . 1 1 69 69 ALA HA H 69 4.924 4.924 4.678 0.246 17551 4614 1 7 . 1 1 69 69 ALA C C 69 175.797 175.797 175.578 0.219 17551 4615 1 7 . 1 1 69 69 ALA CA C 69 50.151 50.151 50.442 -0.291 17551 4616 1 7 . 1 1 69 69 ALA CB C 69 22.239 22.239 22.843 -0.604 17551 4617 1 7 . 1 1 69 69 ALA H H 69 8.864 8.864 8.923 -0.059 17551 4618 1 7 . 1 1 70 70 ASP N N 70 120.889 120.889 119.783 1.106 17551 4619 1 7 . 1 1 70 70 ASP HA H 70 4.852 4.852 5.096 -0.244 17551 4620 1 7 . 1 1 70 70 ASP C C 70 175.541 175.541 174.809 0.732 17551 4621 1 7 . 1 1 70 70 ASP CA C 70 54.211 54.211 53.069 1.141 17551 4622 1 7 . 1 1 70 70 ASP CB C 70 41.052 41.052 41.995 -0.944 17551 4623 1 7 . 1 1 70 70 ASP H H 70 8.319 8.319 8.578 -0.259 17551 4624 1 7 . 1 1 71 71 MET N N 71 125.005 125.005 120.393 4.612 17551 4625 1 7 . 1 1 71 71 MET HA H 71 4.743 4.743 5.131 -0.388 17551 4626 1 7 . 1 1 71 71 MET C C 71 174.047 174.047 173.778 0.269 17551 4627 1 7 . 1 1 71 71 MET CA C 71 54.265 54.265 54.051 0.214 17551 4628 1 7 . 1 1 71 71 MET CB C 71 39.844 39.844 37.705 2.139 17551 4629 1 7 . 1 1 71 71 MET H H 71 8.796 8.796 8.695 0.101 17551 4630 1 7 . 1 1 72 72 GLU N N 72 118.909 118.909 120.270 -1.361 17551 4631 1 7 . 1 1 72 72 GLU HA H 72 5.613 5.613 5.535 0.078 17551 4632 1 7 . 1 1 72 72 GLU C C 72 176.109 176.109 176.047 0.062 17551 4633 1 7 . 1 1 72 72 GLU CA C 72 53.790 53.790 54.509 -0.719 17551 4634 1 7 . 1 1 72 72 GLU CB C 72 33.986 33.986 33.521 0.465 17551 4635 1 7 . 1 1 72 72 GLU H H 72 9.225 9.225 8.736 0.489 17551 4636 1 7 . 1 1 73 73 THR N N 73 109.667 109.667 116.721 -7.054 17551 4637 1 7 . 1 1 73 73 THR HA H 73 4.538 4.538 4.583 -0.045 17551 4638 1 7 . 1 1 73 73 THR C C 73 176.660 176.660 176.145 0.515 17551 4639 1 7 . 1 1 73 73 THR CA C 73 59.666 59.666 60.063 -0.397 17551 4640 1 7 . 1 1 73 73 THR CB C 73 69.710 69.710 70.021 -0.311 17551 4641 1 7 . 1 1 73 73 THR H H 73 8.904 8.904 8.627 0.277 17551 4642 1 7 . 1 1 74 74 MET N N 74 117.519 117.519 116.990 0.529 17551 4643 1 7 . 1 1 74 74 MET HA H 74 4.776 4.776 4.383 0.393 17551 4644 1 7 . 1 1 74 74 MET C C 74 176.641 176.641 176.386 0.255 17551 4645 1 7 . 1 1 74 74 MET CA C 74 58.631 58.631 56.939 1.692 17551 4646 1 7 . 1 1 74 74 MET H H 74 8.206 8.206 8.438 -0.232 17551 4647 1 7 . 1 1 75 75 GLY N N 75 103.810 103.810 103.504 0.306 17551 4648 1 7 . 1 1 75 75 GLY C C 75 173.956 173.956 174.965 -1.009 17551 4649 1 7 . 1 1 75 75 GLY CA C 75 43.728 43.728 44.689 -0.961 17551 4650 1 7 . 1 1 75 75 GLY H H 75 8.067 8.067 7.536 0.531 17551 4651 1 7 . 1 1 76 76 GLY N N 76 108.498 108.498 108.579 -0.081 17551 4652 1 7 . 1 1 76 76 GLY C C 76 173.267 173.267 173.911 -0.644 17551 4653 1 7 . 1 1 76 76 GLY CA C 76 44.563 44.563 44.535 0.028 17551 4654 1 7 . 1 1 76 76 GLY H H 76 7.702 7.702 7.476 0.226 17551 4655 1 7 . 1 1 77 77 ARG N N 77 121.161 121.161 120.761 0.400 17551 4656 1 7 . 1 1 77 77 ARG HA H 77 4.348 4.348 4.481 -0.133 17551 4657 1 7 . 1 1 77 77 ARG C C 77 176.083 176.083 175.363 0.720 17551 4658 1 7 . 1 1 77 77 ARG CA C 77 55.350 55.350 55.021 0.329 17551 4659 1 7 . 1 1 77 77 ARG CB C 77 30.904 30.904 31.476 -0.572 17551 4660 1 7 . 1 1 77 77 ARG H H 77 7.328 7.328 7.852 -0.524 17551 4661 1 7 . 1 1 78 78 LYS N N 78 126.790 126.790 125.724 1.066 17551 4662 1 7 . 1 1 78 78 LYS HA H 78 5.147 5.147 4.940 0.207 17551 4663 1 7 . 1 1 78 78 LYS C C 78 176.961 176.961 176.188 0.773 17551 4664 1 7 . 1 1 78 78 LYS CA C 78 55.487 55.487 56.103 -0.616 17551 4665 1 7 . 1 1 78 78 LYS CB C 78 32.769 32.769 33.184 -0.415 17551 4666 1 7 . 1 1 78 78 LYS H H 78 8.771 8.771 8.704 0.067 17551 4667 1 7 . 1 1 79 79 PHE N N 79 119.480 119.480 122.057 -2.577 17551 4668 1 7 . 1 1 79 79 PHE HA H 79 4.898 4.898 4.983 -0.085 17551 4669 1 7 . 1 1 79 79 PHE C C 79 171.587 171.587 173.303 -1.716 17551 4670 1 7 . 1 1 79 79 PHE CA C 79 55.817 55.817 56.340 -0.523 17551 4671 1 7 . 1 1 79 79 PHE CB C 79 40.702 40.702 41.940 -1.238 17551 4672 1 7 . 1 1 79 79 PHE H H 79 8.794 8.794 8.662 0.132 17551 4673 1 7 . 1 1 80 80 LYS N N 80 119.760 119.760 120.051 -0.291 17551 4674 1 7 . 1 1 80 80 LYS HA H 80 5.460 5.460 5.392 0.068 17551 4675 1 7 . 1 1 80 80 LYS C C 80 176.538 176.538 175.725 0.813 17551 4676 1 7 . 1 1 80 80 LYS CA C 80 53.988 53.988 55.148 -1.160 17551 4677 1 7 . 1 1 80 80 LYS CB C 80 35.754 35.754 35.315 0.439 17551 4678 1 7 . 1 1 80 80 LYS H H 80 8.414 8.414 8.487 -0.073 17551 4679 1 7 . 1 1 81 81 ALA N N 81 121.171 121.171 126.757 -5.586 17551 4680 1 7 . 1 1 81 81 ALA HA H 81 4.738 4.738 4.629 0.109 17551 4681 1 7 . 1 1 81 81 ALA C C 81 175.290 175.290 174.941 0.349 17551 4682 1 7 . 1 1 81 81 ALA CA C 81 51.262 51.262 51.300 -0.038 17551 4683 1 7 . 1 1 81 81 ALA CB C 81 22.568 22.568 22.087 0.481 17551 4684 1 7 . 1 1 81 81 ALA H H 81 8.525 8.525 8.911 -0.386 17551 4685 1 7 . 1 1 82 82 THR N N 82 117.970 117.970 116.696 1.274 17551 4686 1 7 . 1 1 82 82 THR HA H 82 4.292 4.292 4.812 -0.520 17551 4687 1 7 . 1 1 82 82 THR C C 82 172.556 172.556 173.715 -1.159 17551 4688 1 7 . 1 1 82 82 THR CA C 82 61.640 61.640 61.385 0.255 17551 4689 1 7 . 1 1 82 82 THR CB C 82 68.485 68.485 69.694 -1.209 17551 4690 1 7 . 1 1 82 82 THR H H 82 8.448 8.448 8.449 -0.001 17551 4691 1 7 . 1 1 83 83 VAL N N 83 131.564 131.564 125.393 6.171 17551 4692 1 7 . 1 1 83 83 VAL HA H 83 3.784 3.784 4.641 -0.857 17551 4693 1 7 . 1 1 83 83 VAL C C 83 174.167 174.167 174.674 -0.507 17551 4694 1 7 . 1 1 83 83 VAL CA C 83 62.059 62.059 60.886 1.173 17551 4695 1 7 . 1 1 83 83 VAL CB C 83 31.076 31.076 33.983 -2.907 17551 4696 1 7 . 1 1 83 83 VAL H H 83 9.722 9.722 7.949 1.773 17551 4697 1 7 . 1 1 84 84 LYS N N 84 125.930 125.930 122.746 3.184 17551 4698 1 7 . 1 1 84 84 LYS HA H 84 4.851 4.851 4.775 0.076 17551 4699 1 7 . 1 1 84 84 LYS C C 84 175.025 175.025 174.215 0.810 17551 4700 1 7 . 1 1 84 84 LYS CA C 84 54.213 54.213 54.502 -0.289 17551 4701 1 7 . 1 1 84 84 LYS CB C 84 35.076 35.076 35.900 -0.824 17551 4702 1 7 . 1 1 84 84 LYS H H 84 8.541 8.541 9.225 -0.684 17551 4703 1 7 . 1 1 85 85 MET N N 85 119.366 119.366 120.449 -1.083 17551 4704 1 7 . 1 1 85 85 MET HA H 85 5.517 5.517 5.138 0.379 17551 4705 1 7 . 1 1 85 85 MET C C 85 175.698 175.698 175.515 0.183 17551 4706 1 7 . 1 1 85 85 MET CA C 85 54.256 54.256 54.857 -0.601 17551 4707 1 7 . 1 1 85 85 MET CB C 85 35.406 35.406 36.024 -0.618 17551 4708 1 7 . 1 1 85 85 MET H H 85 8.992 8.992 8.559 0.433 17551 4709 1 7 . 1 1 86 86 GLU N N 86 125.741 125.741 123.612 2.129 17551 4710 1 7 . 1 1 86 86 GLU HA H 86 4.654 4.654 4.560 0.094 17551 4711 1 7 . 1 1 86 86 GLU C C 86 177.223 177.223 176.656 0.567 17551 4712 1 7 . 1 1 86 86 GLU CA C 86 54.213 54.213 55.523 -1.310 17551 4713 1 7 . 1 1 86 86 GLU CB C 86 31.578 31.578 29.011 2.567 17551 4714 1 7 . 1 1 86 86 GLU H H 86 9.063 9.063 9.193 -0.130 17551 4715 1 7 . 1 1 87 87 GLY N N 87 117.720 117.720 113.777 3.943 17551 4716 1 7 . 1 1 87 87 GLY C C 87 175.275 175.275 174.917 0.358 17551 4717 1 7 . 1 1 87 87 GLY CA C 87 46.902 46.902 44.705 2.197 17551 4718 1 7 . 1 1 87 87 GLY H H 87 9.300 9.300 9.049 0.251 17551 4719 1 7 . 1 1 88 88 GLY N N 88 109.070 109.070 105.178 3.892 17551 4720 1 7 . 1 1 88 88 GLY C C 88 172.863 172.863 173.184 -0.321 17551 4721 1 7 . 1 1 88 88 GLY CA C 88 44.853 44.853 45.178 -0.325 17551 4722 1 7 . 1 1 88 88 GLY H H 88 8.739 8.739 8.629 0.110 17551 4723 1 7 . 1 1 89 89 LYS N N 89 120.150 120.150 118.837 1.313 17551 4724 1 7 . 1 1 89 89 LYS HA H 89 5.113 5.113 5.171 -0.058 17551 4725 1 7 . 1 1 89 89 LYS C C 89 175.487 175.487 175.679 -0.192 17551 4726 1 7 . 1 1 89 89 LYS CA C 89 54.363 54.363 54.565 -0.202 17551 4727 1 7 . 1 1 89 89 LYS CB C 89 33.753 33.753 34.224 -0.471 17551 4728 1 7 . 1 1 89 89 LYS H H 89 7.853 7.853 7.616 0.237 17551 4729 1 7 . 1 1 90 90 ILE N N 90 124.537 124.537 127.263 -2.726 17551 4730 1 7 . 1 1 90 90 ILE HA H 90 4.489 4.489 4.417 0.072 17551 4731 1 7 . 1 1 90 90 ILE C C 90 175.679 175.679 174.937 0.742 17551 4732 1 7 . 1 1 90 90 ILE CA C 90 60.930 60.930 61.437 -0.507 17551 4733 1 7 . 1 1 90 90 ILE CB C 90 38.367 38.367 37.381 0.986 17551 4734 1 7 . 1 1 90 90 ILE H H 90 9.081 9.081 8.792 0.289 17551 4735 1 7 . 1 1 91 91 VAL N N 91 124.871 124.871 128.934 -4.063 17551 4736 1 7 . 1 1 91 91 VAL HA H 91 4.591 4.591 5.067 -0.476 17551 4737 1 7 . 1 1 91 91 VAL C C 91 173.890 173.890 173.311 0.579 17551 4738 1 7 . 1 1 91 91 VAL CA C 91 60.743 60.743 58.951 1.792 17551 4739 1 7 . 1 1 91 91 VAL CB C 91 35.279 35.279 35.497 -0.218 17551 4740 1 7 . 1 1 91 91 VAL H H 91 8.786 8.786 8.798 -0.012 17551 4741 1 7 . 1 1 92 92 ALA N N 92 129.590 129.590 130.947 -1.357 17551 4742 1 7 . 1 1 92 92 ALA HA H 92 4.563 4.563 4.629 -0.066 17551 4743 1 7 . 1 1 92 92 ALA C C 92 173.855 173.855 174.895 -1.040 17551 4744 1 7 . 1 1 92 92 ALA CA C 92 49.864 49.864 49.839 0.025 17551 4745 1 7 . 1 1 92 92 ALA CB C 92 21.948 21.948 22.278 -0.330 17551 4746 1 7 . 1 1 92 92 ALA H H 92 9.228 9.228 9.090 0.138 17551 4747 1 7 . 1 1 93 93 ASP N N 93 121.654 121.654 121.712 -0.058 17551 4748 1 7 . 1 1 93 93 ASP HA H 93 5.342 5.342 4.711 0.631 17551 4749 1 7 . 1 1 93 93 ASP C C 93 173.521 173.521 174.595 -1.074 17551 4750 1 7 . 1 1 93 93 ASP CA C 93 53.658 53.658 53.804 -0.146 17551 4751 1 7 . 1 1 93 93 ASP CB C 93 44.462 44.462 42.525 1.937 17551 4752 1 7 . 1 1 93 93 ASP H H 93 8.326 8.326 7.611 0.715 17551 4753 1 7 . 1 1 94 94 PHE N N 94 122.296 122.296 123.002 -0.706 17551 4754 1 7 . 1 1 94 94 PHE HA H 94 5.024 5.024 4.819 0.205 17551 4755 1 7 . 1 1 94 94 PHE CA C 94 53.952 53.952 55.330 -1.378 17551 4756 1 7 . 1 1 94 94 PHE CB C 94 38.958 38.958 42.353 -3.395 17551 4757 1 7 . 1 1 94 94 PHE H H 94 8.776 8.776 7.821 0.955 17551 4758 1 7 . 1 1 95 95 PRO HA H 95 4.396 4.396 4.446 -0.050 17551 4759 1 7 . 1 1 95 95 PRO C C 95 177.375 177.375 176.718 0.657 17551 4760 1 7 . 1 1 95 95 PRO CA C 95 64.386 64.386 63.869 0.517 17551 4761 1 7 . 1 1 95 95 PRO CB C 95 30.432 30.432 31.385 -0.953 17551 4762 1 7 . 1 1 96 96 ASN N N 96 120.924 120.924 120.362 0.562 17551 4763 1 7 . 1 1 96 96 ASN HA H 96 4.619 4.619 4.396 0.223 17551 4764 1 7 . 1 1 96 96 ASN C C 96 174.189 174.189 173.448 0.741 17551 4765 1 7 . 1 1 96 96 ASN CA C 96 53.442 53.442 54.415 -0.973 17551 4766 1 7 . 1 1 96 96 ASN CB C 96 38.069 38.069 37.945 0.124 17551 4767 1 7 . 1 1 96 96 ASN H H 96 9.183 9.183 8.990 0.193 17551 4768 1 7 . 1 1 97 97 TYR N N 97 120.943 120.943 119.268 1.675 17551 4769 1 7 . 1 1 97 97 TYR HA H 97 4.804 4.804 5.627 -0.823 17551 4770 1 7 . 1 1 97 97 TYR C C 97 172.713 172.713 173.517 -0.804 17551 4771 1 7 . 1 1 97 97 TYR CA C 97 59.314 59.314 56.818 2.496 17551 4772 1 7 . 1 1 97 97 TYR CB C 97 40.512 40.512 41.234 -0.722 17551 4773 1 7 . 1 1 97 97 TYR H H 97 8.066 8.066 7.547 0.519 17551 4774 1 7 . 1 1 98 98 HIS N N 98 128.370 128.370 128.875 -0.505 17551 4775 1 7 . 1 1 98 98 HIS HA H 98 5.466 5.466 5.114 0.352 17551 4776 1 7 . 1 1 98 98 HIS C C 98 172.821 172.821 173.344 -0.523 17551 4777 1 7 . 1 1 98 98 HIS CA C 98 54.311 54.311 54.726 -0.415 17551 4778 1 7 . 1 1 98 98 HIS CB C 98 31.053 31.053 32.017 -0.964 17551 4779 1 7 . 1 1 98 98 HIS H H 98 8.786 8.786 8.996 -0.210 17551 4780 1 7 . 1 1 99 99 HIS N N 99 130.146 130.146 129.868 0.278 17551 4781 1 7 . 1 1 99 99 HIS HA H 99 5.689 5.689 5.904 -0.215 17551 4782 1 7 . 1 1 99 99 HIS C C 99 173.405 173.405 174.098 -0.693 17551 4783 1 7 . 1 1 99 99 HIS CA C 99 55.101 55.101 53.915 1.186 17551 4784 1 7 . 1 1 99 99 HIS CB C 99 34.888 34.888 32.744 2.144 17551 4785 1 7 . 1 1 99 99 HIS H H 99 8.963 8.963 8.274 0.689 17551 4786 1 7 . 1 1 100 100 THR N N 100 117.843 117.843 119.883 -2.040 17551 4787 1 7 . 1 1 100 100 THR HA H 100 5.597 5.597 5.267 0.330 17551 4788 1 7 . 1 1 100 100 THR C C 100 172.563 172.563 172.714 -0.151 17551 4789 1 7 . 1 1 100 100 THR CA C 100 57.863 57.863 59.950 -2.087 17551 4790 1 7 . 1 1 100 100 THR CB C 100 71.830 71.830 71.242 0.588 17551 4791 1 7 . 1 1 100 100 THR H H 100 8.871 8.871 8.433 0.438 17551 4792 1 7 . 1 1 101 101 ALA N N 101 121.591 121.591 127.069 -5.478 17551 4793 1 7 . 1 1 101 101 ALA HA H 101 5.318 5.318 5.023 0.295 17551 4794 1 7 . 1 1 101 101 ALA C C 101 175.540 175.540 175.500 0.040 17551 4795 1 7 . 1 1 101 101 ALA CA C 101 50.320 50.320 50.213 0.107 17551 4796 1 7 . 1 1 101 101 ALA CB C 101 22.819 22.819 21.433 1.386 17551 4797 1 7 . 1 1 101 101 ALA H H 101 8.825 8.825 9.068 -0.243 17551 4798 1 7 . 1 1 102 102 GLU N N 102 118.491 118.491 120.598 -2.107 17551 4799 1 7 . 1 1 102 102 GLU HA H 102 5.194 5.194 4.997 0.197 17551 4800 1 7 . 1 1 102 102 GLU C C 102 172.497 172.497 174.205 -1.708 17551 4801 1 7 . 1 1 102 102 GLU CA C 102 53.879 53.879 54.807 -0.928 17551 4802 1 7 . 1 1 102 102 GLU H H 102 8.785 8.785 8.126 0.659 17551 4803 1 7 . 1 1 103 103 ILE N N 103 121.813 121.813 120.250 1.563 17551 4804 1 7 . 1 1 103 103 ILE HA H 103 5.129 5.129 5.194 -0.064 17551 4805 1 7 . 1 1 103 103 ILE C C 103 177.119 177.119 175.851 1.268 17551 4806 1 7 . 1 1 103 103 ILE CA C 103 56.631 56.631 59.127 -2.496 17551 4807 1 7 . 1 1 103 103 ILE CB C 103 34.564 34.564 38.372 -3.808 17551 4808 1 7 . 1 1 103 103 ILE H H 103 8.442 8.442 8.501 -0.059 17551 4809 1 7 . 1 1 104 104 SER N N 104 122.295 122.295 122.662 -0.367 17551 4810 1 7 . 1 1 104 104 SER HA H 104 4.783 4.783 4.659 0.124 17551 4811 1 7 . 1 1 104 104 SER CA C 104 55.521 55.521 57.638 -2.117 17551 4812 1 7 . 1 1 104 104 SER CB C 104 63.426 63.426 64.841 -1.415 17551 4813 1 7 . 1 1 104 104 SER H H 104 9.119 9.119 9.112 0.007 17551 4814 1 7 . 1 1 105 105 GLY C C 105 175.730 175.730 175.056 0.674 17551 4815 1 7 . 1 1 105 105 GLY CA C 105 46.925 46.925 44.949 1.976 17551 4816 1 7 . 1 1 106 106 GLY N N 106 105.123 105.123 105.465 -0.342 17551 4817 1 7 . 1 1 106 106 GLY C C 106 173.229 173.229 173.536 -0.307 17551 4818 1 7 . 1 1 106 106 GLY CA C 106 44.771 44.771 45.015 -0.244 17551 4819 1 7 . 1 1 106 106 GLY H H 106 8.476 8.476 8.401 0.075 17551 4820 1 7 . 1 1 107 107 LYS N N 107 119.187 119.187 117.845 1.342 17551 4821 1 7 . 1 1 107 107 LYS HA H 107 4.856 4.856 4.736 0.120 17551 4822 1 7 . 1 1 107 107 LYS C C 107 174.072 174.072 174.297 -0.225 17551 4823 1 7 . 1 1 107 107 LYS CA C 107 54.240 54.240 54.880 -0.640 17551 4824 1 7 . 1 1 107 107 LYS CB C 107 34.508 34.508 36.350 -1.842 17551 4825 1 7 . 1 1 107 107 LYS H H 107 7.639 7.639 7.025 0.614 17551 4826 1 7 . 1 1 108 108 LEU N N 108 122.725 122.725 125.156 -2.431 17551 4827 1 7 . 1 1 108 108 LEU HA H 108 4.793 4.793 5.073 -0.280 17551 4828 1 7 . 1 1 108 108 LEU C C 108 174.906 174.906 174.638 0.268 17551 4829 1 7 . 1 1 108 108 LEU CA C 108 54.275 54.275 53.725 0.550 17551 4830 1 7 . 1 1 108 108 LEU CB C 108 42.801 42.801 43.192 -0.391 17551 4831 1 7 . 1 1 108 108 LEU H H 108 8.481 8.481 8.698 -0.217 17551 4832 1 7 . 1 1 109 109 VAL N N 109 130.844 130.844 127.316 3.528 17551 4833 1 7 . 1 1 109 109 VAL HA H 109 4.953 4.953 4.996 -0.043 17551 4834 1 7 . 1 1 109 109 VAL C C 109 176.004 176.004 173.966 2.038 17551 4835 1 7 . 1 1 109 109 VAL CA C 109 61.541 61.541 59.786 1.755 17551 4836 1 7 . 1 1 109 109 VAL CB C 109 32.721 32.721 34.404 -1.683 17551 4837 1 7 . 1 1 109 109 VAL H H 109 9.391 9.391 8.799 0.592 17551 4838 1 7 . 1 1 110 110 GLU N N 110 130.618 130.618 129.443 1.175 17551 4839 1 7 . 1 1 110 110 GLU HA H 110 5.393 5.393 5.232 0.161 17551 4840 1 7 . 1 1 110 110 GLU C C 110 175.537 175.537 175.596 -0.059 17551 4841 1 7 . 1 1 110 110 GLU CA C 110 53.476 53.476 54.770 -1.294 17551 4842 1 7 . 1 1 110 110 GLU H H 110 9.386 9.386 8.003 1.383 17551 4843 1 7 . 1 1 111 111 ILE N N 111 126.952 126.952 127.430 -0.478 17551 4844 1 7 . 1 1 111 111 ILE HA H 111 4.910 4.910 4.586 0.324 17551 4845 1 7 . 1 1 111 111 ILE C C 111 175.156 175.156 175.053 0.103 17551 4846 1 7 . 1 1 111 111 ILE CA C 111 59.562 59.562 60.419 -0.857 17551 4847 1 7 . 1 1 111 111 ILE CB C 111 39.029 39.029 39.645 -0.616 17551 4848 1 7 . 1 1 111 111 ILE H H 111 8.912 8.912 8.538 0.374 17551 4849 1 7 . 1 1 112 112 SER N N 112 125.389 125.389 124.622 0.767 17551 4850 1 7 . 1 1 112 112 SER HA H 112 5.524 5.524 5.294 0.230 17551 4851 1 7 . 1 1 112 112 SER C C 112 172.120 172.120 173.734 -1.614 17551 4852 1 7 . 1 1 112 112 SER CA C 112 55.756 55.756 56.058 -0.302 17551 4853 1 7 . 1 1 112 112 SER CB C 112 64.025 64.025 63.858 0.168 17551 4854 1 7 . 1 1 112 112 SER H H 112 9.495 9.495 9.083 0.412 17551 4855 1 7 . 1 1 113 113 THR N N 113 119.329 119.329 123.272 -3.943 17551 4856 1 7 . 1 1 113 113 THR HA H 113 5.633 5.633 5.292 0.342 17551 4857 1 7 . 1 1 113 113 THR C C 113 174.911 174.911 173.950 0.961 17551 4858 1 7 . 1 1 113 113 THR CA C 113 60.362 60.362 61.517 -1.155 17551 4859 1 7 . 1 1 113 113 THR CB C 113 70.377 70.377 69.842 0.535 17551 4860 1 7 . 1 1 113 113 THR H H 113 9.274 9.274 8.885 0.389 17551 4861 1 7 . 1 1 114 114 SER N N 114 121.027 121.027 120.670 0.357 17551 4862 1 7 . 1 1 114 114 SER HA H 114 4.479 4.479 5.360 -0.881 17551 4863 1 7 . 1 1 114 114 SER C C 114 174.507 174.507 173.915 0.592 17551 4864 1 7 . 1 1 114 114 SER CA C 114 57.423 57.423 57.440 -0.017 17551 4865 1 7 . 1 1 114 114 SER CB C 114 64.798 64.798 64.525 0.273 17551 4866 1 7 . 1 1 114 114 SER H H 114 8.657 8.657 8.961 -0.304 17551 4867 1 7 . 1 1 115 115 SER N N 115 122.405 122.405 122.662 -0.257 17551 4868 1 7 . 1 1 115 115 SER HA H 115 4.092 4.092 4.188 -0.096 17551 4869 1 7 . 1 1 115 115 SER C C 115 174.387 174.387 174.230 0.157 17551 4870 1 7 . 1 1 115 115 SER CA C 115 58.417 58.417 59.462 -1.045 17551 4871 1 7 . 1 1 115 115 SER CB C 115 61.860 61.860 61.937 -0.077 17551 4872 1 7 . 1 1 115 115 SER H H 115 9.265 9.265 9.308 -0.043 17551 4873 1 7 . 1 1 116 116 GLY N N 116 103.741 103.741 104.996 -1.255 17551 4874 1 7 . 1 1 116 116 GLY C C 116 173.618 173.618 174.110 -0.492 17551 4875 1 7 . 1 1 116 116 GLY CA C 116 44.584 44.584 44.686 -0.102 17551 4876 1 7 . 1 1 116 116 GLY H H 116 8.730 8.730 8.245 0.485 17551 4877 1 7 . 1 1 117 117 VAL N N 117 123.819 123.819 123.109 0.710 17551 4878 1 7 . 1 1 117 117 VAL HA H 117 4.242 4.242 4.166 0.076 17551 4879 1 7 . 1 1 117 117 VAL C C 117 173.712 173.712 174.466 -0.754 17551 4880 1 7 . 1 1 117 117 VAL CA C 117 61.946 61.946 62.238 -0.292 17551 4881 1 7 . 1 1 117 117 VAL CB C 117 32.244 32.244 33.146 -0.902 17551 4882 1 7 . 1 1 117 117 VAL H H 117 8.177 8.177 7.708 0.469 17551 4883 1 7 . 1 1 118 118 VAL N N 118 127.074 127.074 128.374 -1.300 17551 4884 1 7 . 1 1 118 118 VAL HA H 118 4.519 4.519 4.357 0.162 17551 4885 1 7 . 1 1 118 118 VAL C C 118 174.793 174.793 174.121 0.672 17551 4886 1 7 . 1 1 118 118 VAL CA C 118 61.227 61.227 60.294 0.933 17551 4887 1 7 . 1 1 118 118 VAL CB C 118 32.503 32.503 32.674 -0.171 17551 4888 1 7 . 1 1 118 118 VAL H H 118 8.441 8.441 8.337 0.104 17551 4889 1 7 . 1 1 119 119 TYR N N 119 131.178 131.178 131.725 -0.547 17551 4890 1 7 . 1 1 119 119 TYR HA H 119 5.095 5.095 4.835 0.260 17551 4891 1 7 . 1 1 119 119 TYR C C 119 173.029 173.029 173.733 -0.704 17551 4892 1 7 . 1 1 119 119 TYR CA C 119 54.862 54.862 55.990 -1.129 17551 4893 1 7 . 1 1 119 119 TYR CB C 119 40.213 40.213 40.602 -0.389 17551 4894 1 7 . 1 1 119 119 TYR H H 119 9.315 9.315 9.082 0.233 17551 4895 1 7 . 1 1 120 120 LYS N N 120 126.654 126.654 127.168 -0.514 17551 4896 1 7 . 1 1 120 120 LYS HA H 120 4.922 4.922 4.751 0.171 17551 4897 1 7 . 1 1 120 120 LYS C C 120 173.813 173.813 174.299 -0.486 17551 4898 1 7 . 1 1 120 120 LYS CA C 120 53.685 53.685 54.533 -0.848 17551 4899 1 7 . 1 1 120 120 LYS CB C 120 36.014 36.014 36.348 -0.334 17551 4900 1 7 . 1 1 120 120 LYS H H 120 7.342 7.342 8.248 -0.906 17551 4901 1 7 . 1 1 121 121 ARG N N 121 124.124 124.124 122.257 1.867 17551 4902 1 7 . 1 1 121 121 ARG HA H 121 4.798 4.798 4.932 -0.134 17551 4903 1 7 . 1 1 121 121 ARG C C 121 174.874 174.874 174.778 0.096 17551 4904 1 7 . 1 1 121 121 ARG CB C 121 34.257 34.257 32.814 1.443 17551 4905 1 7 . 1 1 121 121 ARG H H 121 9.087 9.087 8.097 0.990 17551 4906 1 7 . 1 1 122 122 THR N N 122 122.859 122.859 122.710 0.149 17551 4907 1 7 . 1 1 122 122 THR HA H 122 5.224 5.224 5.025 0.199 17551 4908 1 7 . 1 1 122 122 THR C C 122 174.321 174.321 174.329 -0.008 17551 4909 1 7 . 1 1 122 122 THR CA C 122 62.177 62.177 62.475 -0.298 17551 4910 1 7 . 1 1 122 122 THR CB C 122 69.459 69.459 69.701 -0.242 17551 4911 1 7 . 1 1 122 122 THR H H 122 9.358 9.358 8.809 0.549 17551 4912 1 7 . 1 1 123 123 SER N N 123 123.389 123.389 123.259 0.130 17551 4913 1 7 . 1 1 123 123 SER HA H 123 5.196 5.196 5.510 -0.314 17551 4914 1 7 . 1 1 123 123 SER C C 123 172.464 172.464 173.772 -1.308 17551 4915 1 7 . 1 1 123 123 SER CA C 123 57.571 57.571 56.611 0.959 17551 4916 1 7 . 1 1 123 123 SER CB C 123 65.697 65.697 65.473 0.224 17551 4917 1 7 . 1 1 123 123 SER H H 123 9.749 9.749 9.338 0.411 17551 4918 1 7 . 1 1 124 124 LYS N N 124 125.058 125.058 123.640 1.418 17551 4919 1 7 . 1 1 124 124 LYS HA H 124 4.681 4.681 4.482 0.199 17551 4920 1 7 . 1 1 124 124 LYS C C 124 175.141 175.141 175.711 -0.570 17551 4921 1 7 . 1 1 124 124 LYS CA C 124 54.444 54.444 55.836 -1.392 17551 4922 1 7 . 1 1 124 124 LYS CB C 124 33.492 33.492 33.639 -0.147 17551 4923 1 7 . 1 1 124 124 LYS H H 124 8.808 8.808 8.559 0.249 17551 4924 1 7 . 1 1 125 125 LYS N N 125 126.114 126.114 125.033 1.081 17551 4925 1 7 . 1 1 125 125 LYS HA H 125 4.367 4.367 4.927 -0.560 17551 4926 1 7 . 1 1 125 125 LYS C C 125 176.828 176.828 175.467 1.361 17551 4927 1 7 . 1 1 125 125 LYS CA C 125 56.752 56.752 55.315 1.437 17551 4928 1 7 . 1 1 125 125 LYS CB C 125 32.912 32.912 32.613 0.299 17551 4929 1 7 . 1 1 125 125 LYS H H 125 9.215 9.215 8.644 0.571 17551 4930 1 7 . 1 1 126 126 ILE N N 126 125.207 125.207 124.699 0.508 17551 4931 1 7 . 1 1 126 126 ILE HA H 126 4.302 4.302 4.541 -0.239 17551 4932 1 7 . 1 1 126 126 ILE C C 126 175.240 175.240 173.640 1.600 17551 4933 1 7 . 1 1 126 126 ILE CA C 126 60.067 60.067 59.770 0.297 17551 4934 1 7 . 1 1 126 126 ILE CB C 126 38.611 38.611 41.915 -3.304 17551 4935 1 7 . 1 1 126 126 ILE H H 126 8.777 8.777 8.677 0.100 17551 4936 1 8 . 1 1 2 2 PHE N N 2 114.421 114.421 118.108 -3.687 17551 4937 1 8 . 1 1 2 2 PHE HA H 2 4.205 4.205 4.971 -0.766 17551 4938 1 8 . 1 1 2 2 PHE C C 2 177.675 177.675 176.783 0.892 17551 4939 1 8 . 1 1 2 2 PHE CA C 2 59.748 59.748 57.962 1.786 17551 4940 1 8 . 1 1 2 2 PHE CB C 2 41.014 41.014 39.792 1.222 17551 4941 1 8 . 1 1 2 2 PHE H H 2 9.501 9.501 8.587 0.914 17551 4942 1 8 . 1 1 3 3 THR N N 3 118.304 118.304 115.820 2.484 17551 4943 1 8 . 1 1 3 3 THR HA H 3 4.021 4.021 4.288 -0.267 17551 4944 1 8 . 1 1 3 3 THR C C 3 173.811 173.811 174.971 -1.160 17551 4945 1 8 . 1 1 3 3 THR CA C 3 63.646 63.646 64.613 -0.967 17551 4946 1 8 . 1 1 3 3 THR CB C 3 69.230 69.230 68.925 0.305 17551 4947 1 8 . 1 1 3 3 THR H H 3 7.721 7.721 8.161 -0.440 17551 4948 1 8 . 1 1 4 4 GLY N N 4 113.320 113.320 112.646 0.674 17551 4949 1 8 . 1 1 4 4 GLY C C 4 169.382 169.382 171.901 -2.519 17551 4950 1 8 . 1 1 4 4 GLY CA C 4 44.343 44.343 44.527 -0.184 17551 4951 1 8 . 1 1 4 4 GLY H H 4 8.881 8.881 8.472 0.409 17551 4952 1 8 . 1 1 5 5 LYS N N 5 120.330 120.330 120.215 0.115 17551 4953 1 8 . 1 1 5 5 LYS HA H 5 5.255 5.255 5.201 0.054 17551 4954 1 8 . 1 1 5 5 LYS C C 5 174.306 174.306 174.712 -0.406 17551 4955 1 8 . 1 1 5 5 LYS CA C 5 54.232 54.232 54.194 0.038 17551 4956 1 8 . 1 1 5 5 LYS CB C 5 35.137 35.137 35.392 -0.255 17551 4957 1 8 . 1 1 5 5 LYS H H 5 7.914 7.914 7.779 0.135 17551 4958 1 8 . 1 1 6 6 TYR N N 6 122.260 122.260 122.078 0.182 17551 4959 1 8 . 1 1 6 6 TYR HA H 6 5.617 5.617 5.812 -0.195 17551 4960 1 8 . 1 1 6 6 TYR C C 6 174.519 174.519 175.421 -0.902 17551 4961 1 8 . 1 1 6 6 TYR CA C 6 55.158 55.158 56.110 -0.952 17551 4962 1 8 . 1 1 6 6 TYR CB C 6 41.637 41.637 42.484 -0.848 17551 4963 1 8 . 1 1 6 6 TYR H H 6 9.736 9.736 8.863 0.873 17551 4964 1 8 . 1 1 7 7 GLU N N 7 122.025 122.025 120.820 1.205 17551 4965 1 8 . 1 1 7 7 GLU HA H 7 5.096 5.096 4.826 0.270 17551 4966 1 8 . 1 1 7 7 GLU C C 7 174.888 174.888 174.782 0.106 17551 4967 1 8 . 1 1 7 7 GLU CA C 7 53.988 53.988 53.837 0.151 17551 4968 1 8 . 1 1 7 7 GLU CB C 7 33.716 33.716 34.615 -0.899 17551 4969 1 8 . 1 1 7 7 GLU H H 7 9.461 9.461 8.334 1.127 17551 4970 1 8 . 1 1 8 8 PHE N N 8 126.529 126.529 122.946 3.583 17551 4971 1 8 . 1 1 8 8 PHE HA H 8 4.599 4.599 4.242 0.357 17551 4972 1 8 . 1 1 8 8 PHE C C 8 172.999 172.999 174.899 -1.900 17551 4973 1 8 . 1 1 8 8 PHE CA C 8 59.847 59.847 60.370 -0.523 17551 4974 1 8 . 1 1 8 8 PHE CB C 8 40.687 40.687 38.847 1.840 17551 4975 1 8 . 1 1 8 8 PHE H H 8 7.986 7.986 9.018 -1.032 17551 4976 1 8 . 1 1 9 9 GLU N N 9 129.046 129.046 126.819 2.227 17551 4977 1 8 . 1 1 9 9 GLU HA H 9 4.306 4.306 4.552 -0.246 17551 4978 1 8 . 1 1 9 9 GLU C C 9 174.528 174.528 175.884 -1.356 17551 4979 1 8 . 1 1 9 9 GLU CA C 9 56.545 56.545 57.117 -0.573 17551 4980 1 8 . 1 1 9 9 GLU CB C 9 32.798 32.798 32.267 0.531 17551 4981 1 8 . 1 1 9 9 GLU H H 9 9.151 9.151 8.733 0.418 17551 4982 1 8 . 1 1 10 10 SER N N 10 111.041 111.041 112.223 -1.182 17551 4983 1 8 . 1 1 10 10 SER HA H 10 4.258 4.258 4.602 -0.344 17551 4984 1 8 . 1 1 10 10 SER C C 10 171.216 171.216 171.777 -0.561 17551 4985 1 8 . 1 1 10 10 SER CA C 10 57.930 57.930 57.425 0.505 17551 4986 1 8 . 1 1 10 10 SER CB C 10 64.720 64.720 66.377 -1.657 17551 4987 1 8 . 1 1 10 10 SER H H 10 7.612 7.612 7.384 0.228 17551 4988 1 8 . 1 1 11 11 ASP N N 11 118.058 118.058 117.843 0.215 17551 4989 1 8 . 1 1 11 11 ASP HA H 11 5.500 5.500 5.225 0.275 17551 4990 1 8 . 1 1 11 11 ASP C C 11 174.845 174.845 174.234 0.611 17551 4991 1 8 . 1 1 11 11 ASP CA C 11 51.633 51.633 53.174 -1.541 17551 4992 1 8 . 1 1 11 11 ASP H H 11 8.632 8.632 8.376 0.256 17551 4993 1 8 . 1 1 12 12 GLU N N 12 117.523 117.523 121.319 -3.796 17551 4994 1 8 . 1 1 12 12 GLU HA H 12 4.782 4.782 4.616 0.166 17551 4995 1 8 . 1 1 12 12 GLU C C 12 175.293 175.293 175.321 -0.028 17551 4996 1 8 . 1 1 12 12 GLU CB C 12 33.450 33.450 33.097 0.353 17551 4997 1 8 . 1 1 12 12 GLU H H 12 8.562 8.562 8.487 0.075 17551 4998 1 8 . 1 1 13 13 ASN N N 13 118.877 118.877 121.785 -2.908 17551 4999 1 8 . 1 1 13 13 ASN HA H 13 4.742 4.742 4.513 0.229 17551 5000 1 8 . 1 1 13 13 ASN C C 13 175.303 175.303 175.227 0.076 17551 5001 1 8 . 1 1 13 13 ASN CA C 13 53.373 53.373 54.689 -1.316 17551 5002 1 8 . 1 1 13 13 ASN CB C 13 37.207 37.207 37.109 0.098 17551 5003 1 8 . 1 1 13 13 ASN H H 13 9.110 9.110 9.047 0.063 17551 5004 1 8 . 1 1 14 14 TYR N N 14 118.061 118.061 120.863 -2.802 17551 5005 1 8 . 1 1 14 14 TYR HA H 14 4.015 4.015 4.229 -0.214 17551 5006 1 8 . 1 1 14 14 TYR C C 14 176.581 176.581 176.462 0.119 17551 5007 1 8 . 1 1 14 14 TYR CA C 14 62.797 62.797 63.291 -0.494 17551 5008 1 8 . 1 1 14 14 TYR CB C 14 38.998 38.998 38.572 0.426 17551 5009 1 8 . 1 1 14 14 TYR H H 14 8.731 8.731 7.734 0.997 17551 5010 1 8 . 1 1 15 15 ASP N N 15 115.317 115.317 118.317 -3.000 17551 5011 1 8 . 1 1 15 15 ASP HA H 15 4.112 4.112 4.194 -0.082 17551 5012 1 8 . 1 1 15 15 ASP C C 15 178.333 178.333 178.504 -0.171 17551 5013 1 8 . 1 1 15 15 ASP CA C 15 57.819 57.819 58.655 -0.836 17551 5014 1 8 . 1 1 15 15 ASP CB C 15 40.410 40.410 40.011 0.399 17551 5015 1 8 . 1 1 15 15 ASP H H 15 8.316 8.316 9.113 -0.797 17551 5016 1 8 . 1 1 16 16 ASP N N 16 117.774 117.774 120.126 -2.352 17551 5017 1 8 . 1 1 16 16 ASP HA H 16 4.392 4.392 4.367 0.025 17551 5018 1 8 . 1 1 16 16 ASP C C 16 178.597 178.597 178.131 0.466 17551 5019 1 8 . 1 1 16 16 ASP CA C 16 56.348 56.348 57.788 -1.440 17551 5020 1 8 . 1 1 16 16 ASP CB C 16 39.883 39.883 40.869 -0.986 17551 5021 1 8 . 1 1 16 16 ASP H H 16 8.449 8.449 8.243 0.206 17551 5022 1 8 . 1 1 17 17 PHE N N 17 120.363 120.363 121.181 -0.818 17551 5023 1 8 . 1 1 17 17 PHE HA H 17 4.068 4.068 4.035 0.033 17551 5024 1 8 . 1 1 17 17 PHE C C 17 176.755 176.755 176.883 -0.128 17551 5025 1 8 . 1 1 17 17 PHE CA C 17 61.840 61.840 61.385 0.455 17551 5026 1 8 . 1 1 17 17 PHE CB C 17 39.794 39.794 39.114 0.680 17551 5027 1 8 . 1 1 17 17 PHE H H 17 7.931 7.931 8.168 -0.237 17551 5028 1 8 . 1 1 18 18 VAL N N 18 110.180 110.180 115.831 -5.651 17551 5029 1 8 . 1 1 18 18 VAL HA H 18 3.595 3.595 3.232 0.363 17551 5030 1 8 . 1 1 18 18 VAL C C 18 178.434 178.434 177.674 0.760 17551 5031 1 8 . 1 1 18 18 VAL CA C 18 64.697 64.697 66.424 -1.726 17551 5032 1 8 . 1 1 18 18 VAL CB C 18 29.602 29.602 31.118 -1.516 17551 5033 1 8 . 1 1 18 18 VAL H H 18 8.294 8.294 8.518 -0.224 17551 5034 1 8 . 1 1 19 19 LYS N N 19 119.749 119.749 118.933 0.816 17551 5035 1 8 . 1 1 19 19 LYS HA H 19 4.108 4.108 4.091 0.017 17551 5036 1 8 . 1 1 19 19 LYS C C 19 179.796 179.796 179.112 0.684 17551 5037 1 8 . 1 1 19 19 LYS CA C 19 58.320 58.320 58.140 0.180 17551 5038 1 8 . 1 1 19 19 LYS CB C 19 31.918 31.918 31.870 0.048 17551 5039 1 8 . 1 1 19 19 LYS H H 19 7.382 7.382 8.168 -0.786 17551 5040 1 8 . 1 1 20 20 LYS N N 20 121.187 121.187 120.329 0.858 17551 5041 1 8 . 1 1 20 20 LYS HA H 20 4.071 4.071 4.099 -0.028 17551 5042 1 8 . 1 1 20 20 LYS C C 20 179.071 179.071 178.699 0.372 17551 5043 1 8 . 1 1 20 20 LYS CA C 20 57.347 57.347 58.364 -1.017 17551 5044 1 8 . 1 1 20 20 LYS CB C 20 30.633 30.633 32.336 -1.703 17551 5045 1 8 . 1 1 20 20 LYS H H 20 7.718 7.718 7.543 0.175 17551 5046 1 8 . 1 1 21 21 ILE N N 21 109.363 109.363 111.564 -2.201 17551 5047 1 8 . 1 1 21 21 ILE HA H 21 4.212 4.212 4.024 0.188 17551 5048 1 8 . 1 1 21 21 ILE C C 21 176.366 176.366 176.335 0.031 17551 5049 1 8 . 1 1 21 21 ILE CA C 21 61.610 61.610 61.681 -0.071 17551 5050 1 8 . 1 1 21 21 ILE CB C 21 36.968 36.968 38.131 -1.163 17551 5051 1 8 . 1 1 21 21 ILE H H 21 7.591 7.591 7.628 -0.037 17551 5052 1 8 . 1 1 22 22 GLY N N 22 107.961 107.961 109.147 -1.186 17551 5053 1 8 . 1 1 22 22 GLY C C 22 174.877 174.877 174.953 -0.076 17551 5054 1 8 . 1 1 22 22 GLY CA C 22 45.510 45.510 45.093 0.417 17551 5055 1 8 . 1 1 22 22 GLY H H 22 7.260 7.260 7.334 -0.074 17551 5056 1 8 . 1 1 23 23 LEU N N 23 120.597 120.597 122.747 -2.150 17551 5057 1 8 . 1 1 23 23 LEU HA H 23 4.207 4.207 4.520 -0.313 17551 5058 1 8 . 1 1 23 23 LEU CA C 23 52.923 52.923 52.474 0.449 17551 5059 1 8 . 1 1 23 23 LEU CB C 23 42.241 42.241 42.882 -0.641 17551 5060 1 8 . 1 1 23 23 LEU H H 23 7.314 7.314 7.961 -0.647 17551 5061 1 8 . 1 1 24 24 PRO HA H 24 4.537 4.537 4.444 0.093 17551 5062 1 8 . 1 1 24 24 PRO C C 24 177.702 177.702 177.492 0.210 17551 5063 1 8 . 1 1 24 24 PRO CA C 24 61.891 61.891 62.492 -0.601 17551 5064 1 8 . 1 1 24 24 PRO CB C 24 32.260 32.260 32.658 -0.399 17551 5065 1 8 . 1 1 25 25 ALA N N 25 123.142 123.142 127.841 -4.699 17551 5066 1 8 . 1 1 25 25 ALA HA H 25 3.935 3.935 3.986 -0.051 17551 5067 1 8 . 1 1 25 25 ALA C C 25 179.461 179.461 179.469 -0.008 17551 5068 1 8 . 1 1 25 25 ALA CA C 25 55.314 55.314 55.534 -0.220 17551 5069 1 8 . 1 1 25 25 ALA CB C 25 18.220 18.220 18.366 -0.145 17551 5070 1 8 . 1 1 25 25 ALA H H 25 8.738 8.738 8.709 0.029 17551 5071 1 8 . 1 1 26 26 ASP N N 26 115.440 115.440 117.374 -1.934 17551 5072 1 8 . 1 1 26 26 ASP HA H 26 4.379 4.379 4.405 -0.026 17551 5073 1 8 . 1 1 26 26 ASP C C 26 179.291 179.291 178.519 0.772 17551 5074 1 8 . 1 1 26 26 ASP CA C 26 56.015 56.015 57.309 -1.294 17551 5075 1 8 . 1 1 26 26 ASP CB C 26 38.136 38.136 40.167 -2.031 17551 5076 1 8 . 1 1 26 26 ASP H H 26 8.971 8.971 8.822 0.149 17551 5077 1 8 . 1 1 27 27 LYS N N 27 122.292 122.292 118.684 3.608 17551 5078 1 8 . 1 1 27 27 LYS HA H 27 4.160 4.160 4.352 -0.192 17551 5079 1 8 . 1 1 27 27 LYS C C 27 177.758 177.758 178.870 -1.112 17551 5080 1 8 . 1 1 27 27 LYS CA C 27 58.022 58.022 56.954 1.068 17551 5081 1 8 . 1 1 27 27 LYS CB C 27 31.334 31.334 32.760 -1.426 17551 5082 1 8 . 1 1 27 27 LYS H H 27 7.434 7.434 7.609 -0.175 17551 5083 1 8 . 1 1 28 28 ILE N N 28 119.737 119.737 122.368 -2.631 17551 5084 1 8 . 1 1 28 28 ILE HA H 28 3.586 3.586 3.889 -0.303 17551 5085 1 8 . 1 1 28 28 ILE C C 28 180.386 180.386 178.313 2.073 17551 5086 1 8 . 1 1 28 28 ILE CA C 28 65.027 65.027 65.425 -0.398 17551 5087 1 8 . 1 1 28 28 ILE CB C 28 37.002 37.002 38.074 -1.072 17551 5088 1 8 . 1 1 28 28 ILE H H 28 8.016 8.016 8.552 -0.536 17551 5089 1 8 . 1 1 29 29 GLU N N 29 117.216 117.216 117.055 0.161 17551 5090 1 8 . 1 1 29 29 GLU HA H 29 4.294 4.294 4.163 0.131 17551 5091 1 8 . 1 1 29 29 GLU C C 29 179.024 179.024 178.942 0.082 17551 5092 1 8 . 1 1 29 29 GLU CA C 29 58.139 58.139 58.903 -0.764 17551 5093 1 8 . 1 1 29 29 GLU CB C 29 28.028 28.028 29.570 -1.542 17551 5094 1 8 . 1 1 29 29 GLU H H 29 7.755 7.755 8.327 -0.572 17551 5095 1 8 . 1 1 30 30 MET N N 30 119.183 119.183 119.606 -0.423 17551 5096 1 8 . 1 1 30 30 MET HA H 30 4.194 4.194 4.427 -0.233 17551 5097 1 8 . 1 1 30 30 MET C C 30 177.683 177.683 176.643 1.040 17551 5098 1 8 . 1 1 30 30 MET CA C 30 58.150 58.150 56.475 1.675 17551 5099 1 8 . 1 1 30 30 MET CB C 30 33.162 33.162 33.140 0.022 17551 5100 1 8 . 1 1 30 30 MET H H 30 7.659 7.659 7.648 0.011 17551 5101 1 8 . 1 1 31 31 GLY N N 31 102.603 102.603 105.216 -2.613 17551 5102 1 8 . 1 1 31 31 GLY C C 31 172.264 172.264 173.289 -1.025 17551 5103 1 8 . 1 1 31 31 GLY CA C 31 45.433 45.433 44.744 0.689 17551 5104 1 8 . 1 1 31 31 GLY H H 31 7.839 7.839 8.519 -0.680 17551 5105 1 8 . 1 1 32 32 ARG N N 32 121.453 121.453 120.369 1.084 17551 5106 1 8 . 1 1 32 32 ARG HA H 32 3.072 3.072 4.162 -1.090 17551 5107 1 8 . 1 1 32 32 ARG C C 32 175.932 175.932 175.256 0.676 17551 5108 1 8 . 1 1 32 32 ARG CA C 32 56.894 56.894 55.010 1.884 17551 5109 1 8 . 1 1 32 32 ARG CB C 32 29.004 29.004 30.328 -1.323 17551 5110 1 8 . 1 1 32 32 ARG H H 32 6.954 6.954 7.776 -0.822 17551 5111 1 8 . 1 1 33 33 ASN N N 33 127.905 127.905 117.047 10.858 17551 5112 1 8 . 1 1 33 33 ASN HA H 33 4.066 4.066 3.671 0.395 17551 5113 1 8 . 1 1 33 33 ASN C C 33 173.939 173.939 173.710 0.229 17551 5114 1 8 . 1 1 33 33 ASN CA C 33 53.539 53.539 53.936 -0.397 17551 5115 1 8 . 1 1 33 33 ASN CB C 33 37.017 37.017 37.782 -0.765 17551 5116 1 8 . 1 1 33 33 ASN H H 33 8.990 8.990 8.475 0.515 17551 5117 1 8 . 1 1 34 34 CYS N N 34 116.649 116.649 117.327 -0.678 17551 5118 1 8 . 1 1 34 34 CYS HA H 34 4.018 4.018 4.184 -0.166 17551 5119 1 8 . 1 1 34 34 CYS C C 34 175.384 175.384 175.001 0.383 17551 5120 1 8 . 1 1 34 34 CYS CA C 34 57.216 57.216 58.624 -1.408 17551 5121 1 8 . 1 1 34 34 CYS CB C 34 27.200 27.200 28.849 -1.649 17551 5122 1 8 . 1 1 34 34 CYS H H 34 7.443 7.443 7.552 -0.109 17551 5123 1 8 . 1 1 35 35 LYS N N 35 130.727 130.727 122.022 8.705 17551 5124 1 8 . 1 1 35 35 LYS HA H 35 4.296 4.296 4.340 -0.044 17551 5125 1 8 . 1 1 35 35 LYS C C 35 175.272 175.272 175.097 0.175 17551 5126 1 8 . 1 1 35 35 LYS CA C 35 55.577 55.577 55.800 -0.223 17551 5127 1 8 . 1 1 35 35 LYS CB C 35 29.487 29.487 30.900 -1.413 17551 5128 1 8 . 1 1 35 35 LYS H H 35 8.691 8.691 8.292 0.399 17551 5129 1 8 . 1 1 36 36 ILE N N 36 125.658 125.658 125.557 0.101 17551 5130 1 8 . 1 1 36 36 ILE HA H 36 4.010 4.010 4.543 -0.533 17551 5131 1 8 . 1 1 36 36 ILE C C 36 177.115 177.115 176.350 0.765 17551 5132 1 8 . 1 1 36 36 ILE CA C 36 62.608 62.608 61.058 1.550 17551 5133 1 8 . 1 1 36 36 ILE CB C 36 39.739 39.739 38.540 1.199 17551 5134 1 8 . 1 1 36 36 ILE H H 36 7.658 7.658 8.053 -0.395 17551 5135 1 8 . 1 1 37 37 VAL N N 37 130.730 130.730 129.997 0.733 17551 5136 1 8 . 1 1 37 37 VAL HA H 37 5.105 5.105 4.737 0.368 17551 5137 1 8 . 1 1 37 37 VAL C C 37 175.295 175.295 176.235 -0.940 17551 5138 1 8 . 1 1 37 37 VAL CA C 37 60.845 60.845 61.944 -1.099 17551 5139 1 8 . 1 1 37 37 VAL CB C 37 33.716 33.716 31.956 1.760 17551 5140 1 8 . 1 1 37 37 VAL H H 37 7.909 7.909 8.598 -0.689 17551 5141 1 8 . 1 1 38 38 THR N N 38 127.066 127.066 125.313 1.753 17551 5142 1 8 . 1 1 38 38 THR HA H 38 5.405 5.405 5.220 0.185 17551 5143 1 8 . 1 1 38 38 THR C C 38 174.035 174.035 173.703 0.332 17551 5144 1 8 . 1 1 38 38 THR CA C 38 61.303 61.303 61.419 -0.116 17551 5145 1 8 . 1 1 38 38 THR CB C 38 70.474 70.474 69.862 0.612 17551 5146 1 8 . 1 1 38 38 THR H H 38 9.393 9.393 9.373 0.020 17551 5147 1 8 . 1 1 39 39 GLU N N 39 126.804 126.804 129.005 -2.201 17551 5148 1 8 . 1 1 39 39 GLU HA H 39 5.216 5.216 4.836 0.380 17551 5149 1 8 . 1 1 39 39 GLU C C 39 174.379 174.379 175.037 -0.658 17551 5150 1 8 . 1 1 39 39 GLU CA C 39 54.232 54.232 55.634 -1.402 17551 5151 1 8 . 1 1 39 39 GLU CB C 39 32.531 32.531 31.755 0.776 17551 5152 1 8 . 1 1 39 39 GLU H H 39 9.728 9.728 8.963 0.765 17551 5153 1 8 . 1 1 40 40 VAL N N 40 125.405 125.405 126.411 -1.006 17551 5154 1 8 . 1 1 40 40 VAL HA H 40 4.859 4.859 5.279 -0.420 17551 5155 1 8 . 1 1 40 40 VAL C C 40 176.139 176.139 175.020 1.119 17551 5156 1 8 . 1 1 40 40 VAL CA C 40 60.091 60.091 60.669 -0.578 17551 5157 1 8 . 1 1 40 40 VAL CB C 40 33.952 33.952 34.190 -0.238 17551 5158 1 8 . 1 1 40 40 VAL H H 40 9.326 9.326 8.975 0.351 17551 5159 1 8 . 1 1 41 41 VAL N N 41 127.197 127.197 125.925 1.272 17551 5160 1 8 . 1 1 41 41 VAL HA H 41 4.144 4.144 4.507 -0.363 17551 5161 1 8 . 1 1 41 41 VAL C C 41 173.604 173.604 174.126 -0.522 17551 5162 1 8 . 1 1 41 41 VAL CA C 41 62.522 62.522 60.182 2.340 17551 5163 1 8 . 1 1 41 41 VAL CB C 41 33.757 33.757 36.348 -2.591 17551 5164 1 8 . 1 1 41 41 VAL H H 41 8.811 8.811 8.013 0.798 17551 5165 1 8 . 1 1 42 42 GLN N N 42 130.317 130.317 127.608 2.709 17551 5166 1 8 . 1 1 42 42 GLN HA H 42 4.430 4.430 4.115 0.315 17551 5167 1 8 . 1 1 42 42 GLN C C 42 174.239 174.239 174.974 -0.735 17551 5168 1 8 . 1 1 42 42 GLN CA C 42 52.960 52.960 56.153 -3.193 17551 5169 1 8 . 1 1 42 42 GLN CB C 42 29.877 29.877 28.993 0.884 17551 5170 1 8 . 1 1 42 42 GLN H H 42 8.345 8.345 8.582 -0.237 17551 5171 1 8 . 1 1 43 43 ASN N N 43 125.513 125.513 126.936 -1.423 17551 5172 1 8 . 1 1 43 43 ASN HA H 43 4.826 4.826 4.813 0.013 17551 5173 1 8 . 1 1 43 43 ASN C C 43 175.350 175.350 174.794 0.556 17551 5174 1 8 . 1 1 43 43 ASN CA C 43 51.303 51.303 52.410 -1.107 17551 5175 1 8 . 1 1 43 43 ASN CB C 43 39.051 39.051 38.649 0.402 17551 5176 1 8 . 1 1 43 43 ASN H H 43 8.772 8.772 7.949 0.823 17551 5177 1 8 . 1 1 44 44 GLY N N 44 115.694 115.694 113.025 2.669 17551 5178 1 8 . 1 1 44 44 GLY C C 44 173.199 173.199 174.332 -1.133 17551 5179 1 8 . 1 1 44 44 GLY CA C 44 46.964 46.964 46.250 0.714 17551 5180 1 8 . 1 1 44 44 GLY H H 44 9.187 9.187 8.189 0.998 17551 5181 1 8 . 1 1 45 45 ASN N N 45 125.520 125.520 123.927 1.593 17551 5182 1 8 . 1 1 45 45 ASN HA H 45 4.991 4.991 4.920 0.071 17551 5183 1 8 . 1 1 45 45 ASN C C 45 173.822 173.822 173.443 0.379 17551 5184 1 8 . 1 1 45 45 ASN CA C 45 52.215 52.215 52.681 -0.466 17551 5185 1 8 . 1 1 45 45 ASN CB C 45 38.700 38.700 40.278 -1.577 17551 5186 1 8 . 1 1 45 45 ASN H H 45 8.854 8.854 8.314 0.540 17551 5187 1 8 . 1 1 46 46 ASP N N 46 120.842 120.842 121.259 -0.417 17551 5188 1 8 . 1 1 46 46 ASP HA H 46 5.185 5.185 5.205 -0.020 17551 5189 1 8 . 1 1 46 46 ASP C C 46 174.705 174.705 174.435 0.270 17551 5190 1 8 . 1 1 46 46 ASP CA C 46 53.658 53.658 53.065 0.593 17551 5191 1 8 . 1 1 46 46 ASP CB C 46 41.025 41.025 41.394 -0.369 17551 5192 1 8 . 1 1 46 46 ASP H H 46 7.921 7.921 7.810 0.111 17551 5193 1 8 . 1 1 47 47 PHE N N 47 121.470 121.470 125.809 -4.339 17551 5194 1 8 . 1 1 47 47 PHE HA H 47 5.161 5.161 5.055 0.106 17551 5195 1 8 . 1 1 47 47 PHE C C 47 177.125 177.125 175.529 1.596 17551 5196 1 8 . 1 1 47 47 PHE CA C 47 56.591 56.591 55.899 0.692 17551 5197 1 8 . 1 1 47 47 PHE CB C 47 44.035 44.035 41.569 2.466 17551 5198 1 8 . 1 1 47 47 PHE H H 47 9.263 9.263 8.730 0.533 17551 5199 1 8 . 1 1 48 48 THR N N 48 116.950 116.950 115.445 1.505 17551 5200 1 8 . 1 1 48 48 THR HA H 48 4.861 4.861 4.854 0.007 17551 5201 1 8 . 1 1 48 48 THR C C 48 172.499 172.499 173.872 -1.373 17551 5202 1 8 . 1 1 48 48 THR CA C 48 62.943 62.943 61.209 1.734 17551 5203 1 8 . 1 1 48 48 THR CB C 48 70.360 70.360 70.190 0.170 17551 5204 1 8 . 1 1 48 48 THR H H 48 8.831 8.831 8.274 0.557 17551 5205 1 8 . 1 1 49 49 TRP N N 49 132.266 132.266 128.021 4.245 17551 5206 1 8 . 1 1 49 49 TRP HA H 49 4.955 4.955 5.004 -0.049 17551 5207 1 8 . 1 1 49 49 TRP C C 49 175.842 175.842 175.164 0.678 17551 5208 1 8 . 1 1 49 49 TRP CA C 49 57.286 57.286 56.005 1.281 17551 5209 1 8 . 1 1 49 49 TRP CB C 49 31.894 31.894 32.036 -0.142 17551 5210 1 8 . 1 1 49 49 TRP H H 49 9.914 9.914 9.556 0.358 17551 5211 1 8 . 1 1 50 50 THR N N 50 131.707 131.707 123.139 8.568 17551 5212 1 8 . 1 1 50 50 THR HA H 50 5.928 5.928 4.783 1.145 17551 5213 1 8 . 1 1 50 50 THR C C 50 173.408 173.408 173.645 -0.237 17551 5214 1 8 . 1 1 50 50 THR CA C 50 60.993 60.993 61.950 -0.957 17551 5215 1 8 . 1 1 50 50 THR CB C 50 70.957 70.957 69.307 1.650 17551 5216 1 8 . 1 1 50 50 THR H H 50 9.524 9.524 8.644 0.880 17551 5217 1 8 . 1 1 51 51 GLN N N 51 124.680 124.680 127.647 -2.967 17551 5218 1 8 . 1 1 51 51 GLN HA H 51 5.056 5.056 5.292 -0.236 17551 5219 1 8 . 1 1 51 51 GLN C C 51 175.328 175.328 174.964 0.364 17551 5220 1 8 . 1 1 51 51 GLN CA C 51 56.309 56.309 54.653 1.656 17551 5221 1 8 . 1 1 51 51 GLN CB C 51 29.046 29.046 30.238 -1.192 17551 5222 1 8 . 1 1 51 51 GLN H H 51 9.456 9.456 9.272 0.184 17551 5223 1 8 . 1 1 52 52 HIS N N 52 122.268 122.268 124.593 -2.325 17551 5224 1 8 . 1 1 52 52 HIS HA H 52 5.051 5.051 4.886 0.165 17551 5225 1 8 . 1 1 52 52 HIS C C 52 174.819 174.819 174.068 0.751 17551 5226 1 8 . 1 1 52 52 HIS CA C 52 54.039 54.039 55.038 -0.999 17551 5227 1 8 . 1 1 52 52 HIS CB C 52 29.432 29.432 32.450 -3.018 17551 5228 1 8 . 1 1 52 52 HIS H H 52 9.534 9.534 9.244 0.290 17551 5229 1 8 . 1 1 53 53 PHE N N 53 129.837 129.837 124.053 5.784 17551 5230 1 8 . 1 1 53 53 PHE HA H 53 4.584 4.584 4.917 -0.333 17551 5231 1 8 . 1 1 53 53 PHE CA C 53 56.312 56.312 54.545 1.767 17551 5232 1 8 . 1 1 53 53 PHE CB C 53 40.660 40.660 41.783 -1.123 17551 5233 1 8 . 1 1 53 53 PHE H H 53 8.641 8.641 8.589 0.052 17551 5234 1 8 . 1 1 54 54 PRO HA H 54 4.291 4.291 4.366 -0.075 17551 5235 1 8 . 1 1 54 54 PRO C C 54 177.389 177.389 176.698 0.691 17551 5236 1 8 . 1 1 54 54 PRO CA C 54 63.569 63.569 63.607 -0.038 17551 5237 1 8 . 1 1 54 54 PRO CB C 54 30.471 30.471 30.631 -0.160 17551 5238 1 8 . 1 1 55 55 GLY N N 55 113.867 113.867 113.373 0.494 17551 5239 1 8 . 1 1 55 55 GLY C C 55 175.164 175.164 174.262 0.902 17551 5240 1 8 . 1 1 55 55 GLY CA C 55 45.258 45.258 45.213 0.045 17551 5241 1 8 . 1 1 55 55 GLY H H 55 8.926 8.926 8.584 0.342 17551 5242 1 8 . 1 1 56 56 GLY N N 56 108.877 108.877 108.362 0.515 17551 5243 1 8 . 1 1 56 56 GLY C C 56 174.054 174.054 172.730 1.324 17551 5244 1 8 . 1 1 56 56 GLY CA C 56 44.534 44.534 44.734 -0.200 17551 5245 1 8 . 1 1 56 56 GLY H H 56 8.426 8.426 7.832 0.594 17551 5246 1 8 . 1 1 57 57 ARG N N 57 123.871 123.871 118.923 4.948 17551 5247 1 8 . 1 1 57 57 ARG HA H 57 4.483 4.483 4.420 0.063 17551 5248 1 8 . 1 1 57 57 ARG C C 57 176.728 176.728 175.982 0.746 17551 5249 1 8 . 1 1 57 57 ARG CA C 57 56.217 56.217 56.385 -0.168 17551 5250 1 8 . 1 1 57 57 ARG CB C 57 31.388 31.388 30.549 0.839 17551 5251 1 8 . 1 1 57 57 ARG H H 57 8.474 8.474 8.276 0.198 17551 5252 1 8 . 1 1 58 58 THR N N 58 122.156 122.156 116.374 5.782 17551 5253 1 8 . 1 1 58 58 THR HA H 58 5.299 5.299 4.752 0.547 17551 5254 1 8 . 1 1 58 58 THR C C 58 174.092 174.092 174.838 -0.746 17551 5255 1 8 . 1 1 58 58 THR CA C 58 62.125 62.125 61.142 0.983 17551 5256 1 8 . 1 1 58 58 THR CB C 58 70.339 70.339 70.608 -0.269 17551 5257 1 8 . 1 1 58 58 THR H H 58 8.818 8.818 8.333 0.485 17551 5258 1 8 . 1 1 59 59 THR N N 59 127.287 127.287 124.149 3.138 17551 5259 1 8 . 1 1 59 59 THR HA H 59 4.505 4.505 4.677 -0.172 17551 5260 1 8 . 1 1 59 59 THR C C 59 172.626 172.626 172.942 -0.316 17551 5261 1 8 . 1 1 59 59 THR CA C 59 62.163 62.163 61.703 0.460 17551 5262 1 8 . 1 1 59 59 THR CB C 59 70.565 70.565 70.804 -0.239 17551 5263 1 8 . 1 1 59 59 THR H H 59 9.281 9.281 8.969 0.312 17551 5264 1 8 . 1 1 60 60 THR N N 60 123.658 123.658 123.238 0.420 17551 5265 1 8 . 1 1 60 60 THR HA H 60 5.105 5.105 4.997 0.108 17551 5266 1 8 . 1 1 60 60 THR C C 60 172.453 172.453 173.754 -1.301 17551 5267 1 8 . 1 1 60 60 THR CA C 60 61.277 61.277 61.290 -0.013 17551 5268 1 8 . 1 1 60 60 THR CB C 60 70.432 70.432 70.280 0.152 17551 5269 1 8 . 1 1 60 60 THR H H 60 8.952 8.952 8.500 0.452 17551 5270 1 8 . 1 1 61 61 ASN N N 61 124.292 124.292 125.532 -1.240 17551 5271 1 8 . 1 1 61 61 ASN HA H 61 5.384 5.384 5.129 0.255 17551 5272 1 8 . 1 1 61 61 ASN C C 61 173.609 173.609 173.638 -0.029 17551 5273 1 8 . 1 1 61 61 ASN CA C 61 52.190 52.190 52.567 -0.377 17551 5274 1 8 . 1 1 61 61 ASN CB C 61 43.987 43.987 43.266 0.721 17551 5275 1 8 . 1 1 61 61 ASN H H 61 8.848 8.848 9.053 -0.205 17551 5276 1 8 . 1 1 62 62 SER N N 62 118.046 118.046 116.501 1.545 17551 5277 1 8 . 1 1 62 62 SER HA H 62 5.659 5.659 5.154 0.505 17551 5278 1 8 . 1 1 62 62 SER C C 62 172.545 172.545 173.121 -0.576 17551 5279 1 8 . 1 1 62 62 SER CA C 62 56.974 56.974 57.478 -0.504 17551 5280 1 8 . 1 1 62 62 SER CB C 62 64.719 64.719 64.784 -0.065 17551 5281 1 8 . 1 1 62 62 SER H H 62 8.986 8.986 8.836 0.150 17551 5282 1 8 . 1 1 63 63 PHE N N 63 118.769 118.769 121.557 -2.788 17551 5283 1 8 . 1 1 63 63 PHE HA H 63 5.016 5.016 5.072 -0.056 17551 5284 1 8 . 1 1 63 63 PHE C C 63 172.500 172.500 173.726 -1.226 17551 5285 1 8 . 1 1 63 63 PHE CA C 63 55.793 55.793 56.503 -0.710 17551 5286 1 8 . 1 1 63 63 PHE CB C 63 39.459 39.459 41.510 -2.051 17551 5287 1 8 . 1 1 63 63 PHE H H 63 8.514 8.514 8.435 0.079 17551 5288 1 8 . 1 1 64 64 THR N N 64 120.318 120.318 119.506 0.812 17551 5289 1 8 . 1 1 64 64 THR HA H 64 5.617 5.617 4.944 0.673 17551 5290 1 8 . 1 1 64 64 THR C C 64 175.240 175.240 174.794 0.446 17551 5291 1 8 . 1 1 64 64 THR CA C 64 60.409 60.409 62.002 -1.593 17551 5292 1 8 . 1 1 64 64 THR CB C 64 71.213 71.213 69.980 1.233 17551 5293 1 8 . 1 1 64 64 THR H H 64 9.743 9.743 8.660 1.083 17551 5294 1 8 . 1 1 65 65 ILE N N 65 127.640 127.640 128.026 -0.386 17551 5295 1 8 . 1 1 65 65 ILE HA H 65 4.089 4.089 3.876 0.213 17551 5296 1 8 . 1 1 65 65 ILE C C 65 176.477 176.477 177.455 -0.978 17551 5297 1 8 . 1 1 65 65 ILE CA C 65 59.299 59.299 61.730 -2.431 17551 5298 1 8 . 1 1 65 65 ILE CB C 65 35.445 35.445 36.301 -0.856 17551 5299 1 8 . 1 1 65 65 ILE H H 65 8.961 8.961 9.042 -0.081 17551 5300 1 8 . 1 1 66 66 ASP N N 66 117.361 117.361 124.902 -7.541 17551 5301 1 8 . 1 1 66 66 ASP HA H 66 4.080 4.080 4.211 -0.131 17551 5302 1 8 . 1 1 66 66 ASP C C 66 174.730 174.730 174.424 0.306 17551 5303 1 8 . 1 1 66 66 ASP CA C 66 57.150 57.150 55.843 1.307 17551 5304 1 8 . 1 1 66 66 ASP CB C 66 38.442 38.442 40.639 -2.197 17551 5305 1 8 . 1 1 66 66 ASP H H 66 9.264 9.264 9.342 -0.078 17551 5306 1 8 . 1 1 67 67 LYS N N 67 121.171 121.171 118.995 2.176 17551 5307 1 8 . 1 1 67 67 LYS HA H 67 4.805 4.805 4.625 0.180 17551 5308 1 8 . 1 1 67 67 LYS C C 67 175.115 175.115 175.044 0.071 17551 5309 1 8 . 1 1 67 67 LYS CA C 67 53.900 53.900 54.682 -0.782 17551 5310 1 8 . 1 1 67 67 LYS CB C 67 34.256 34.256 35.547 -1.291 17551 5311 1 8 . 1 1 67 67 LYS H H 67 8.185 8.185 7.784 0.401 17551 5312 1 8 . 1 1 68 68 GLU N N 68 130.373 130.373 124.790 5.583 17551 5313 1 8 . 1 1 68 68 GLU HA H 68 4.194 4.194 4.504 -0.310 17551 5314 1 8 . 1 1 68 68 GLU C C 68 175.449 175.449 175.899 -0.450 17551 5315 1 8 . 1 1 68 68 GLU CA C 68 58.343 58.343 57.053 1.290 17551 5316 1 8 . 1 1 68 68 GLU H H 68 8.879 8.879 8.746 0.133 17551 5317 1 8 . 1 1 69 69 ALA N N 69 130.113 130.113 128.443 1.670 17551 5318 1 8 . 1 1 69 69 ALA HA H 69 4.924 4.924 4.657 0.267 17551 5319 1 8 . 1 1 69 69 ALA C C 69 175.797 175.797 175.475 0.322 17551 5320 1 8 . 1 1 69 69 ALA CA C 69 50.151 50.151 50.472 -0.321 17551 5321 1 8 . 1 1 69 69 ALA CB C 69 22.239 22.239 22.711 -0.472 17551 5322 1 8 . 1 1 69 69 ALA H H 69 8.864 8.864 9.019 -0.155 17551 5323 1 8 . 1 1 70 70 ASP N N 70 120.889 120.889 122.021 -1.132 17551 5324 1 8 . 1 1 70 70 ASP HA H 70 4.852 4.852 5.116 -0.264 17551 5325 1 8 . 1 1 70 70 ASP C C 70 175.541 175.541 175.412 0.129 17551 5326 1 8 . 1 1 70 70 ASP CA C 70 54.211 54.211 54.703 -0.492 17551 5327 1 8 . 1 1 70 70 ASP CB C 70 41.052 41.052 41.675 -0.623 17551 5328 1 8 . 1 1 70 70 ASP H H 70 8.319 8.319 8.727 -0.408 17551 5329 1 8 . 1 1 71 71 MET N N 71 125.005 125.005 121.892 3.113 17551 5330 1 8 . 1 1 71 71 MET HA H 71 4.743 4.743 5.189 -0.446 17551 5331 1 8 . 1 1 71 71 MET C C 71 174.047 174.047 173.863 0.184 17551 5332 1 8 . 1 1 71 71 MET CA C 71 54.265 54.265 53.766 0.499 17551 5333 1 8 . 1 1 71 71 MET CB C 71 39.844 39.844 37.891 1.953 17551 5334 1 8 . 1 1 71 71 MET H H 71 8.796 8.796 8.538 0.258 17551 5335 1 8 . 1 1 72 72 GLU N N 72 118.909 118.909 120.122 -1.213 17551 5336 1 8 . 1 1 72 72 GLU HA H 72 5.613 5.613 5.570 0.043 17551 5337 1 8 . 1 1 72 72 GLU C C 72 176.109 176.109 175.245 0.864 17551 5338 1 8 . 1 1 72 72 GLU CA C 72 53.790 53.790 54.153 -0.363 17551 5339 1 8 . 1 1 72 72 GLU CB C 72 33.986 33.986 33.797 0.189 17551 5340 1 8 . 1 1 72 72 GLU H H 72 9.225 9.225 8.917 0.308 17551 5341 1 8 . 1 1 73 73 THR N N 73 109.667 109.667 116.266 -6.599 17551 5342 1 8 . 1 1 73 73 THR HA H 73 4.538 4.538 4.758 -0.220 17551 5343 1 8 . 1 1 73 73 THR C C 73 176.660 176.660 175.855 0.805 17551 5344 1 8 . 1 1 73 73 THR CA C 73 59.666 59.666 60.368 -0.702 17551 5345 1 8 . 1 1 73 73 THR CB C 73 69.710 69.710 70.580 -0.870 17551 5346 1 8 . 1 1 73 73 THR H H 73 8.904 8.904 8.539 0.365 17551 5347 1 8 . 1 1 74 74 MET N N 74 117.519 117.519 119.299 -1.780 17551 5348 1 8 . 1 1 74 74 MET HA H 74 4.776 4.776 4.380 0.396 17551 5349 1 8 . 1 1 74 74 MET C C 74 176.641 176.641 176.558 0.083 17551 5350 1 8 . 1 1 74 74 MET CA C 74 58.631 58.631 57.161 1.470 17551 5351 1 8 . 1 1 74 74 MET H H 74 8.206 8.206 8.560 -0.354 17551 5352 1 8 . 1 1 75 75 GLY N N 75 103.810 103.810 104.161 -0.351 17551 5353 1 8 . 1 1 75 75 GLY C C 75 173.956 173.956 175.105 -1.149 17551 5354 1 8 . 1 1 75 75 GLY CA C 75 43.728 43.728 44.547 -0.819 17551 5355 1 8 . 1 1 75 75 GLY H H 75 8.067 8.067 7.563 0.504 17551 5356 1 8 . 1 1 76 76 GLY N N 76 108.498 108.498 109.179 -0.681 17551 5357 1 8 . 1 1 76 76 GLY C C 76 173.267 173.267 174.301 -1.034 17551 5358 1 8 . 1 1 76 76 GLY CA C 76 44.563 44.563 44.798 -0.235 17551 5359 1 8 . 1 1 76 76 GLY H H 76 7.702 7.702 7.733 -0.031 17551 5360 1 8 . 1 1 77 77 ARG N N 77 121.161 121.161 120.405 0.756 17551 5361 1 8 . 1 1 77 77 ARG HA H 77 4.348 4.348 4.571 -0.223 17551 5362 1 8 . 1 1 77 77 ARG C C 77 176.083 176.083 175.411 0.672 17551 5363 1 8 . 1 1 77 77 ARG CA C 77 55.350 55.350 54.865 0.485 17551 5364 1 8 . 1 1 77 77 ARG CB C 77 30.904 30.904 31.794 -0.890 17551 5365 1 8 . 1 1 77 77 ARG H H 77 7.328 7.328 7.646 -0.318 17551 5366 1 8 . 1 1 78 78 LYS N N 78 126.790 126.790 125.014 1.776 17551 5367 1 8 . 1 1 78 78 LYS HA H 78 5.147 5.147 4.997 0.150 17551 5368 1 8 . 1 1 78 78 LYS C C 78 176.961 176.961 176.016 0.945 17551 5369 1 8 . 1 1 78 78 LYS CA C 78 55.487 55.487 55.391 0.096 17551 5370 1 8 . 1 1 78 78 LYS CB C 78 32.769 32.769 32.872 -0.103 17551 5371 1 8 . 1 1 78 78 LYS H H 78 8.771 8.771 8.695 0.076 17551 5372 1 8 . 1 1 79 79 PHE N N 79 119.480 119.480 122.228 -2.748 17551 5373 1 8 . 1 1 79 79 PHE HA H 79 4.898 4.898 5.015 -0.117 17551 5374 1 8 . 1 1 79 79 PHE C C 79 171.587 171.587 173.439 -1.852 17551 5375 1 8 . 1 1 79 79 PHE CA C 79 55.817 55.817 56.348 -0.531 17551 5376 1 8 . 1 1 79 79 PHE CB C 79 40.702 40.702 41.101 -0.399 17551 5377 1 8 . 1 1 79 79 PHE H H 79 8.794 8.794 8.587 0.207 17551 5378 1 8 . 1 1 80 80 LYS N N 80 119.760 119.760 119.516 0.244 17551 5379 1 8 . 1 1 80 80 LYS HA H 80 5.460 5.460 5.397 0.063 17551 5380 1 8 . 1 1 80 80 LYS C C 80 176.538 176.538 175.702 0.836 17551 5381 1 8 . 1 1 80 80 LYS CA C 80 53.988 53.988 55.035 -1.047 17551 5382 1 8 . 1 1 80 80 LYS CB C 80 35.754 35.754 35.674 0.080 17551 5383 1 8 . 1 1 80 80 LYS H H 80 8.414 8.414 8.469 -0.055 17551 5384 1 8 . 1 1 81 81 ALA N N 81 121.171 121.171 125.357 -4.186 17551 5385 1 8 . 1 1 81 81 ALA HA H 81 4.738 4.738 4.609 0.129 17551 5386 1 8 . 1 1 81 81 ALA C C 81 175.290 175.290 174.925 0.365 17551 5387 1 8 . 1 1 81 81 ALA CA C 81 51.262 51.262 51.502 -0.240 17551 5388 1 8 . 1 1 81 81 ALA CB C 81 22.568 22.568 22.088 0.480 17551 5389 1 8 . 1 1 81 81 ALA H H 81 8.525 8.525 9.108 -0.583 17551 5390 1 8 . 1 1 82 82 THR N N 82 117.970 117.970 116.877 1.093 17551 5391 1 8 . 1 1 82 82 THR HA H 82 4.292 4.292 4.770 -0.478 17551 5392 1 8 . 1 1 82 82 THR C C 82 172.556 172.556 173.678 -1.122 17551 5393 1 8 . 1 1 82 82 THR CA C 82 61.640 61.640 61.677 -0.037 17551 5394 1 8 . 1 1 82 82 THR CB C 82 68.485 68.485 69.379 -0.894 17551 5395 1 8 . 1 1 82 82 THR H H 82 8.448 8.448 8.439 0.009 17551 5396 1 8 . 1 1 83 83 VAL N N 83 131.564 131.564 125.845 5.719 17551 5397 1 8 . 1 1 83 83 VAL HA H 83 3.784 3.784 4.497 -0.713 17551 5398 1 8 . 1 1 83 83 VAL C C 83 174.167 174.167 174.688 -0.521 17551 5399 1 8 . 1 1 83 83 VAL CA C 83 62.059 62.059 60.770 1.289 17551 5400 1 8 . 1 1 83 83 VAL CB C 83 31.076 31.076 33.391 -2.315 17551 5401 1 8 . 1 1 83 83 VAL H H 83 9.722 9.722 7.923 1.799 17551 5402 1 8 . 1 1 84 84 LYS N N 84 125.930 125.930 124.709 1.221 17551 5403 1 8 . 1 1 84 84 LYS HA H 84 4.851 4.851 5.031 -0.180 17551 5404 1 8 . 1 1 84 84 LYS C C 84 175.025 175.025 174.226 0.799 17551 5405 1 8 . 1 1 84 84 LYS CA C 84 54.213 54.213 54.004 0.209 17551 5406 1 8 . 1 1 84 84 LYS CB C 84 35.076 35.076 36.168 -1.092 17551 5407 1 8 . 1 1 84 84 LYS H H 84 8.541 8.541 9.169 -0.628 17551 5408 1 8 . 1 1 85 85 MET N N 85 119.366 119.366 119.967 -0.601 17551 5409 1 8 . 1 1 85 85 MET HA H 85 5.517 5.517 5.020 0.497 17551 5410 1 8 . 1 1 85 85 MET C C 85 175.698 175.698 175.412 0.286 17551 5411 1 8 . 1 1 85 85 MET CA C 85 54.256 54.256 54.782 -0.527 17551 5412 1 8 . 1 1 85 85 MET CB C 85 35.406 35.406 36.339 -0.933 17551 5413 1 8 . 1 1 85 85 MET H H 85 8.992 8.992 8.467 0.525 17551 5414 1 8 . 1 1 86 86 GLU N N 86 125.741 125.741 122.769 2.972 17551 5415 1 8 . 1 1 86 86 GLU HA H 86 4.654 4.654 4.550 0.104 17551 5416 1 8 . 1 1 86 86 GLU C C 86 177.223 177.223 176.614 0.609 17551 5417 1 8 . 1 1 86 86 GLU CA C 86 54.213 54.213 55.505 -1.292 17551 5418 1 8 . 1 1 86 86 GLU CB C 86 31.578 31.578 29.126 2.452 17551 5419 1 8 . 1 1 86 86 GLU H H 86 9.063 9.063 9.320 -0.257 17551 5420 1 8 . 1 1 87 87 GLY N N 87 117.720 117.720 112.984 4.736 17551 5421 1 8 . 1 1 87 87 GLY C C 87 175.275 175.275 175.391 -0.116 17551 5422 1 8 . 1 1 87 87 GLY CA C 87 46.902 46.902 44.855 2.047 17551 5423 1 8 . 1 1 87 87 GLY H H 87 9.300 9.300 8.912 0.388 17551 5424 1 8 . 1 1 88 88 GLY N N 88 109.070 109.070 105.892 3.178 17551 5425 1 8 . 1 1 88 88 GLY C C 88 172.863 172.863 174.159 -1.296 17551 5426 1 8 . 1 1 88 88 GLY CA C 88 44.853 44.853 44.944 -0.091 17551 5427 1 8 . 1 1 88 88 GLY H H 88 8.739 8.739 8.396 0.343 17551 5428 1 8 . 1 1 89 89 LYS N N 89 120.150 120.150 119.131 1.019 17551 5429 1 8 . 1 1 89 89 LYS HA H 89 5.113 5.113 4.969 0.144 17551 5430 1 8 . 1 1 89 89 LYS C C 89 175.487 175.487 175.538 -0.051 17551 5431 1 8 . 1 1 89 89 LYS CA C 89 54.363 54.363 54.710 -0.347 17551 5432 1 8 . 1 1 89 89 LYS CB C 89 33.753 33.753 34.575 -0.822 17551 5433 1 8 . 1 1 89 89 LYS H H 89 7.853 7.853 7.498 0.355 17551 5434 1 8 . 1 1 90 90 ILE N N 90 124.537 124.537 126.059 -1.522 17551 5435 1 8 . 1 1 90 90 ILE HA H 90 4.489 4.489 4.248 0.241 17551 5436 1 8 . 1 1 90 90 ILE C C 90 175.679 175.679 174.648 1.031 17551 5437 1 8 . 1 1 90 90 ILE CA C 90 60.930 60.930 61.474 -0.543 17551 5438 1 8 . 1 1 90 90 ILE CB C 90 38.367 38.367 37.691 0.676 17551 5439 1 8 . 1 1 90 90 ILE H H 90 9.081 9.081 8.450 0.631 17551 5440 1 8 . 1 1 91 91 VAL N N 91 124.871 124.871 128.492 -3.621 17551 5441 1 8 . 1 1 91 91 VAL HA H 91 4.591 4.591 5.169 -0.578 17551 5442 1 8 . 1 1 91 91 VAL C C 91 173.890 173.890 173.241 0.649 17551 5443 1 8 . 1 1 91 91 VAL CA C 91 60.743 60.743 58.755 1.988 17551 5444 1 8 . 1 1 91 91 VAL CB C 91 35.279 35.279 35.878 -0.599 17551 5445 1 8 . 1 1 91 91 VAL H H 91 8.786 8.786 8.738 0.048 17551 5446 1 8 . 1 1 92 92 ALA N N 92 129.590 129.590 131.071 -1.481 17551 5447 1 8 . 1 1 92 92 ALA HA H 92 4.563 4.563 4.563 0.000 17551 5448 1 8 . 1 1 92 92 ALA C C 92 173.855 173.855 175.127 -1.272 17551 5449 1 8 . 1 1 92 92 ALA CA C 92 49.864 49.864 49.966 -0.102 17551 5450 1 8 . 1 1 92 92 ALA CB C 92 21.948 21.948 21.863 0.085 17551 5451 1 8 . 1 1 92 92 ALA H H 92 9.228 9.228 9.076 0.152 17551 5452 1 8 . 1 1 93 93 ASP N N 93 121.654 121.654 122.719 -1.065 17551 5453 1 8 . 1 1 93 93 ASP HA H 93 5.342 5.342 4.808 0.534 17551 5454 1 8 . 1 1 93 93 ASP C C 93 173.521 173.521 174.680 -1.159 17551 5455 1 8 . 1 1 93 93 ASP CA C 93 53.658 53.658 54.115 -0.457 17551 5456 1 8 . 1 1 93 93 ASP CB C 93 44.462 44.462 42.470 1.992 17551 5457 1 8 . 1 1 93 93 ASP H H 93 8.326 8.326 7.695 0.631 17551 5458 1 8 . 1 1 94 94 PHE N N 94 122.296 122.296 123.062 -0.766 17551 5459 1 8 . 1 1 94 94 PHE HA H 94 5.024 5.024 4.834 0.190 17551 5460 1 8 . 1 1 94 94 PHE CA C 94 53.952 53.952 55.585 -1.633 17551 5461 1 8 . 1 1 94 94 PHE CB C 94 38.958 38.958 42.411 -3.453 17551 5462 1 8 . 1 1 94 94 PHE H H 94 8.776 8.776 7.866 0.910 17551 5463 1 8 . 1 1 95 95 PRO HA H 95 4.396 4.396 4.507 -0.111 17551 5464 1 8 . 1 1 95 95 PRO C C 95 177.375 177.375 176.817 0.558 17551 5465 1 8 . 1 1 95 95 PRO CA C 95 64.386 64.386 63.437 0.949 17551 5466 1 8 . 1 1 95 95 PRO CB C 95 30.432 30.432 31.232 -0.800 17551 5467 1 8 . 1 1 96 96 ASN N N 96 120.924 120.924 116.206 4.718 17551 5468 1 8 . 1 1 96 96 ASN HA H 96 4.619 4.619 4.370 0.249 17551 5469 1 8 . 1 1 96 96 ASN C C 96 174.189 174.189 173.480 0.709 17551 5470 1 8 . 1 1 96 96 ASN CA C 96 53.442 53.442 54.582 -1.140 17551 5471 1 8 . 1 1 96 96 ASN CB C 96 38.069 38.069 37.574 0.495 17551 5472 1 8 . 1 1 96 96 ASN H H 96 9.183 9.183 8.916 0.267 17551 5473 1 8 . 1 1 97 97 TYR N N 97 120.943 120.943 119.710 1.233 17551 5474 1 8 . 1 1 97 97 TYR HA H 97 4.804 4.804 5.634 -0.830 17551 5475 1 8 . 1 1 97 97 TYR C C 97 172.713 172.713 173.624 -0.911 17551 5476 1 8 . 1 1 97 97 TYR CA C 97 59.314 59.314 56.957 2.357 17551 5477 1 8 . 1 1 97 97 TYR CB C 97 40.512 40.512 41.647 -1.135 17551 5478 1 8 . 1 1 97 97 TYR H H 97 8.066 8.066 7.427 0.639 17551 5479 1 8 . 1 1 98 98 HIS N N 98 128.370 128.370 128.075 0.295 17551 5480 1 8 . 1 1 98 98 HIS HA H 98 5.466 5.466 5.163 0.303 17551 5481 1 8 . 1 1 98 98 HIS C C 98 172.821 172.821 173.299 -0.478 17551 5482 1 8 . 1 1 98 98 HIS CA C 98 54.311 54.311 54.845 -0.534 17551 5483 1 8 . 1 1 98 98 HIS CB C 98 31.053 31.053 31.826 -0.773 17551 5484 1 8 . 1 1 98 98 HIS H H 98 8.786 8.786 8.751 0.035 17551 5485 1 8 . 1 1 99 99 HIS N N 99 130.146 130.146 129.668 0.478 17551 5486 1 8 . 1 1 99 99 HIS HA H 99 5.689 5.689 5.690 -0.001 17551 5487 1 8 . 1 1 99 99 HIS C C 99 173.405 173.405 174.069 -0.664 17551 5488 1 8 . 1 1 99 99 HIS CA C 99 55.101 55.101 53.971 1.130 17551 5489 1 8 . 1 1 99 99 HIS CB C 99 34.888 34.888 32.044 2.844 17551 5490 1 8 . 1 1 99 99 HIS H H 99 8.963 8.963 8.241 0.722 17551 5491 1 8 . 1 1 100 100 THR N N 100 117.843 117.843 119.355 -1.512 17551 5492 1 8 . 1 1 100 100 THR HA H 100 5.597 5.597 5.544 0.053 17551 5493 1 8 . 1 1 100 100 THR C C 100 172.563 172.563 172.794 -0.231 17551 5494 1 8 . 1 1 100 100 THR CA C 100 57.863 57.863 59.566 -1.703 17551 5495 1 8 . 1 1 100 100 THR CB C 100 71.830 71.830 71.534 0.297 17551 5496 1 8 . 1 1 100 100 THR H H 100 8.871 8.871 8.554 0.317 17551 5497 1 8 . 1 1 101 101 ALA N N 101 121.591 121.591 127.031 -5.440 17551 5498 1 8 . 1 1 101 101 ALA HA H 101 5.318 5.318 4.937 0.381 17551 5499 1 8 . 1 1 101 101 ALA C C 101 175.540 175.540 175.522 0.018 17551 5500 1 8 . 1 1 101 101 ALA CA C 101 50.320 50.320 50.341 -0.021 17551 5501 1 8 . 1 1 101 101 ALA CB C 101 22.819 22.819 21.399 1.420 17551 5502 1 8 . 1 1 101 101 ALA H H 101 8.825 8.825 8.946 -0.121 17551 5503 1 8 . 1 1 102 102 GLU N N 102 118.491 118.491 120.871 -2.380 17551 5504 1 8 . 1 1 102 102 GLU HA H 102 5.194 5.194 5.016 0.178 17551 5505 1 8 . 1 1 102 102 GLU C C 102 172.497 172.497 174.163 -1.666 17551 5506 1 8 . 1 1 102 102 GLU CA C 102 53.879 53.879 54.918 -1.039 17551 5507 1 8 . 1 1 102 102 GLU H H 102 8.785 8.785 8.030 0.755 17551 5508 1 8 . 1 1 103 103 ILE N N 103 121.813 121.813 120.736 1.077 17551 5509 1 8 . 1 1 103 103 ILE HA H 103 5.129 5.129 5.063 0.066 17551 5510 1 8 . 1 1 103 103 ILE C C 103 177.119 177.119 175.956 1.163 17551 5511 1 8 . 1 1 103 103 ILE CA C 103 56.631 56.631 59.368 -2.737 17551 5512 1 8 . 1 1 103 103 ILE CB C 103 34.564 34.564 38.012 -3.448 17551 5513 1 8 . 1 1 103 103 ILE H H 103 8.442 8.442 8.571 -0.129 17551 5514 1 8 . 1 1 104 104 SER N N 104 122.295 122.295 123.278 -0.983 17551 5515 1 8 . 1 1 104 104 SER HA H 104 4.783 4.783 4.584 0.199 17551 5516 1 8 . 1 1 104 104 SER CA C 104 55.521 55.521 57.949 -2.428 17551 5517 1 8 . 1 1 104 104 SER CB C 104 63.426 63.426 64.129 -0.704 17551 5518 1 8 . 1 1 104 104 SER H H 104 9.119 9.119 8.951 0.168 17551 5519 1 8 . 1 1 105 105 GLY C C 105 175.730 175.730 175.028 0.702 17551 5520 1 8 . 1 1 105 105 GLY CA C 105 46.925 46.925 44.805 2.120 17551 5521 1 8 . 1 1 106 106 GLY N N 106 105.123 105.123 105.288 -0.165 17551 5522 1 8 . 1 1 106 106 GLY C C 106 173.229 173.229 173.741 -0.512 17551 5523 1 8 . 1 1 106 106 GLY CA C 106 44.771 44.771 45.130 -0.359 17551 5524 1 8 . 1 1 106 106 GLY H H 106 8.476 8.476 8.284 0.192 17551 5525 1 8 . 1 1 107 107 LYS N N 107 119.187 119.187 118.462 0.725 17551 5526 1 8 . 1 1 107 107 LYS HA H 107 4.856 4.856 4.866 -0.010 17551 5527 1 8 . 1 1 107 107 LYS C C 107 174.072 174.072 174.483 -0.411 17551 5528 1 8 . 1 1 107 107 LYS CA C 107 54.240 54.240 54.869 -0.629 17551 5529 1 8 . 1 1 107 107 LYS CB C 107 34.508 34.508 35.638 -1.130 17551 5530 1 8 . 1 1 107 107 LYS H H 107 7.639 7.639 7.382 0.257 17551 5531 1 8 . 1 1 108 108 LEU N N 108 122.725 122.725 126.496 -3.771 17551 5532 1 8 . 1 1 108 108 LEU HA H 108 4.793 4.793 4.940 -0.147 17551 5533 1 8 . 1 1 108 108 LEU C C 108 174.906 174.906 174.783 0.123 17551 5534 1 8 . 1 1 108 108 LEU CA C 108 54.275 54.275 54.076 0.199 17551 5535 1 8 . 1 1 108 108 LEU CB C 108 42.801 42.801 42.674 0.127 17551 5536 1 8 . 1 1 108 108 LEU H H 108 8.481 8.481 9.077 -0.596 17551 5537 1 8 . 1 1 109 109 VAL N N 109 130.844 130.844 127.793 3.051 17551 5538 1 8 . 1 1 109 109 VAL HA H 109 4.953 4.953 4.960 -0.007 17551 5539 1 8 . 1 1 109 109 VAL C C 109 176.004 176.004 174.226 1.778 17551 5540 1 8 . 1 1 109 109 VAL CA C 109 61.541 61.541 59.628 1.913 17551 5541 1 8 . 1 1 109 109 VAL CB C 109 32.721 32.721 33.763 -1.042 17551 5542 1 8 . 1 1 109 109 VAL H H 109 9.391 9.391 8.695 0.696 17551 5543 1 8 . 1 1 110 110 GLU N N 110 130.618 130.618 129.503 1.115 17551 5544 1 8 . 1 1 110 110 GLU HA H 110 5.393 5.393 5.200 0.193 17551 5545 1 8 . 1 1 110 110 GLU C C 110 175.537 175.537 175.417 0.120 17551 5546 1 8 . 1 1 110 110 GLU CA C 110 53.476 53.476 55.202 -1.726 17551 5547 1 8 . 1 1 110 110 GLU H H 110 9.386 9.386 8.453 0.933 17551 5548 1 8 . 1 1 111 111 ILE N N 111 126.952 126.952 126.129 0.823 17551 5549 1 8 . 1 1 111 111 ILE HA H 111 4.910 4.910 4.777 0.133 17551 5550 1 8 . 1 1 111 111 ILE C C 111 175.156 175.156 174.772 0.384 17551 5551 1 8 . 1 1 111 111 ILE CA C 111 59.562 59.562 60.022 -0.460 17551 5552 1 8 . 1 1 111 111 ILE CB C 111 39.029 39.029 40.429 -1.400 17551 5553 1 8 . 1 1 111 111 ILE H H 111 8.912 8.912 8.707 0.205 17551 5554 1 8 . 1 1 112 112 SER N N 112 125.389 125.389 124.680 0.709 17551 5555 1 8 . 1 1 112 112 SER HA H 112 5.524 5.524 5.216 0.308 17551 5556 1 8 . 1 1 112 112 SER C C 112 172.120 172.120 173.760 -1.640 17551 5557 1 8 . 1 1 112 112 SER CA C 112 55.756 55.756 56.048 -0.292 17551 5558 1 8 . 1 1 112 112 SER CB C 112 64.025 64.025 63.707 0.318 17551 5559 1 8 . 1 1 112 112 SER H H 112 9.495 9.495 9.185 0.310 17551 5560 1 8 . 1 1 113 113 THR N N 113 119.329 119.329 124.086 -4.757 17551 5561 1 8 . 1 1 113 113 THR HA H 113 5.633 5.633 4.980 0.653 17551 5562 1 8 . 1 1 113 113 THR C C 113 174.911 174.911 174.249 0.662 17551 5563 1 8 . 1 1 113 113 THR CA C 113 60.362 60.362 62.018 -1.656 17551 5564 1 8 . 1 1 113 113 THR CB C 113 70.377 70.377 69.495 0.882 17551 5565 1 8 . 1 1 113 113 THR H H 113 9.274 9.274 8.891 0.383 17551 5566 1 8 . 1 1 114 114 SER N N 114 121.027 121.027 123.799 -2.772 17551 5567 1 8 . 1 1 114 114 SER HA H 114 4.479 4.479 5.487 -1.008 17551 5568 1 8 . 1 1 114 114 SER C C 114 174.507 174.507 174.186 0.321 17551 5569 1 8 . 1 1 114 114 SER CA C 114 57.423 57.423 57.468 -0.045 17551 5570 1 8 . 1 1 114 114 SER CB C 114 64.798 64.798 64.551 0.247 17551 5571 1 8 . 1 1 114 114 SER H H 114 8.657 8.657 8.899 -0.242 17551 5572 1 8 . 1 1 115 115 SER N N 115 122.405 122.405 121.116 1.289 17551 5573 1 8 . 1 1 115 115 SER HA H 115 4.092 4.092 4.103 -0.011 17551 5574 1 8 . 1 1 115 115 SER C C 115 174.387 174.387 174.139 0.248 17551 5575 1 8 . 1 1 115 115 SER CA C 115 58.417 58.417 59.753 -1.336 17551 5576 1 8 . 1 1 115 115 SER CB C 115 61.860 61.860 61.920 -0.060 17551 5577 1 8 . 1 1 115 115 SER H H 115 9.265 9.265 8.869 0.396 17551 5578 1 8 . 1 1 116 116 GLY N N 116 103.741 103.741 104.047 -0.306 17551 5579 1 8 . 1 1 116 116 GLY C C 116 173.618 173.618 174.189 -0.571 17551 5580 1 8 . 1 1 116 116 GLY CA C 116 44.584 44.584 44.718 -0.134 17551 5581 1 8 . 1 1 116 116 GLY H H 116 8.730 8.730 8.425 0.305 17551 5582 1 8 . 1 1 117 117 VAL N N 117 123.819 123.819 125.250 -1.431 17551 5583 1 8 . 1 1 117 117 VAL HA H 117 4.242 4.242 4.017 0.225 17551 5584 1 8 . 1 1 117 117 VAL C C 117 173.712 173.712 175.359 -1.647 17551 5585 1 8 . 1 1 117 117 VAL CA C 117 61.946 61.946 63.478 -1.532 17551 5586 1 8 . 1 1 117 117 VAL CB C 117 32.244 32.244 32.288 -0.044 17551 5587 1 8 . 1 1 117 117 VAL H H 117 8.177 8.177 7.623 0.554 17551 5588 1 8 . 1 1 118 118 VAL N N 118 127.074 127.074 128.954 -1.880 17551 5589 1 8 . 1 1 118 118 VAL HA H 118 4.519 4.519 4.095 0.424 17551 5590 1 8 . 1 1 118 118 VAL C C 118 174.793 174.793 174.727 0.066 17551 5591 1 8 . 1 1 118 118 VAL CA C 118 61.227 61.227 61.450 -0.223 17551 5592 1 8 . 1 1 118 118 VAL CB C 118 32.503 32.503 30.944 1.559 17551 5593 1 8 . 1 1 118 118 VAL H H 118 8.441 8.441 8.526 -0.085 17551 5594 1 8 . 1 1 119 119 TYR N N 119 131.178 131.178 130.788 0.390 17551 5595 1 8 . 1 1 119 119 TYR HA H 119 5.095 5.095 4.845 0.250 17551 5596 1 8 . 1 1 119 119 TYR C C 119 173.029 173.029 173.668 -0.639 17551 5597 1 8 . 1 1 119 119 TYR CA C 119 54.862 54.862 56.270 -1.408 17551 5598 1 8 . 1 1 119 119 TYR CB C 119 40.213 40.213 40.624 -0.411 17551 5599 1 8 . 1 1 119 119 TYR H H 119 9.315 9.315 9.065 0.250 17551 5600 1 8 . 1 1 120 120 LYS N N 120 126.654 126.654 127.622 -0.968 17551 5601 1 8 . 1 1 120 120 LYS HA H 120 4.922 4.922 5.128 -0.206 17551 5602 1 8 . 1 1 120 120 LYS C C 120 173.813 173.813 174.521 -0.708 17551 5603 1 8 . 1 1 120 120 LYS CA C 120 53.685 53.685 54.057 -0.372 17551 5604 1 8 . 1 1 120 120 LYS CB C 120 36.014 36.014 35.785 0.229 17551 5605 1 8 . 1 1 120 120 LYS H H 120 7.342 7.342 8.271 -0.929 17551 5606 1 8 . 1 1 121 121 ARG N N 121 124.124 124.124 123.085 1.039 17551 5607 1 8 . 1 1 121 121 ARG HA H 121 4.798 4.798 4.704 0.094 17551 5608 1 8 . 1 1 121 121 ARG C C 121 174.874 174.874 174.802 0.072 17551 5609 1 8 . 1 1 121 121 ARG CB C 121 34.257 34.257 32.372 1.885 17551 5610 1 8 . 1 1 121 121 ARG H H 121 9.087 9.087 8.773 0.314 17551 5611 1 8 . 1 1 122 122 THR N N 122 122.859 122.859 122.454 0.405 17551 5612 1 8 . 1 1 122 122 THR HA H 122 5.224 5.224 5.198 0.026 17551 5613 1 8 . 1 1 122 122 THR C C 122 174.321 174.321 173.886 0.435 17551 5614 1 8 . 1 1 122 122 THR CA C 122 62.177 62.177 61.314 0.863 17551 5615 1 8 . 1 1 122 122 THR CB C 122 69.459 69.459 69.996 -0.537 17551 5616 1 8 . 1 1 122 122 THR H H 122 9.358 9.358 8.611 0.747 17551 5617 1 8 . 1 1 123 123 SER N N 123 123.389 123.389 121.077 2.312 17551 5618 1 8 . 1 1 123 123 SER HA H 123 5.196 5.196 5.405 -0.209 17551 5619 1 8 . 1 1 123 123 SER C C 123 172.464 172.464 173.404 -0.940 17551 5620 1 8 . 1 1 123 123 SER CA C 123 57.571 57.571 56.888 0.683 17551 5621 1 8 . 1 1 123 123 SER CB C 123 65.697 65.697 66.483 -0.786 17551 5622 1 8 . 1 1 123 123 SER H H 123 9.749 9.749 9.260 0.489 17551 5623 1 8 . 1 1 124 124 LYS N N 124 125.058 125.058 123.932 1.126 17551 5624 1 8 . 1 1 124 124 LYS HA H 124 4.681 4.681 4.479 0.202 17551 5625 1 8 . 1 1 124 124 LYS C C 124 175.141 175.141 175.635 -0.494 17551 5626 1 8 . 1 1 124 124 LYS CA C 124 54.444 54.444 56.197 -1.753 17551 5627 1 8 . 1 1 124 124 LYS CB C 124 33.492 33.492 33.655 -0.163 17551 5628 1 8 . 1 1 124 124 LYS H H 124 8.808 8.808 8.517 0.291 17551 5629 1 8 . 1 1 125 125 LYS N N 125 126.114 126.114 123.923 2.191 17551 5630 1 8 . 1 1 125 125 LYS HA H 125 4.367 4.367 4.732 -0.365 17551 5631 1 8 . 1 1 125 125 LYS C C 125 176.828 176.828 176.035 0.793 17551 5632 1 8 . 1 1 125 125 LYS CA C 125 56.752 56.752 55.583 1.169 17551 5633 1 8 . 1 1 125 125 LYS CB C 125 32.912 32.912 32.099 0.813 17551 5634 1 8 . 1 1 125 125 LYS H H 125 9.215 9.215 8.185 1.030 17551 5635 1 8 . 1 1 126 126 ILE N N 126 125.207 125.207 122.728 2.479 17551 5636 1 8 . 1 1 126 126 ILE HA H 126 4.302 4.302 4.519 -0.217 17551 5637 1 8 . 1 1 126 126 ILE C C 126 175.240 175.240 174.097 1.143 17551 5638 1 8 . 1 1 126 126 ILE CA C 126 60.067 60.067 59.381 0.686 17551 5639 1 8 . 1 1 126 126 ILE CB C 126 38.611 38.611 41.386 -2.775 17551 5640 1 8 . 1 1 126 126 ILE H H 126 8.777 8.777 8.682 0.095 17551 5641 1 9 . 1 1 2 2 PHE N N 2 114.421 114.421 118.656 -4.235 17551 5642 1 9 . 1 1 2 2 PHE HA H 2 4.205 4.205 4.680 -0.475 17551 5643 1 9 . 1 1 2 2 PHE C C 2 177.675 177.675 176.555 1.120 17551 5644 1 9 . 1 1 2 2 PHE CA C 2 59.748 59.748 57.157 2.591 17551 5645 1 9 . 1 1 2 2 PHE CB C 2 41.014 41.014 39.864 1.150 17551 5646 1 9 . 1 1 2 2 PHE H H 2 9.501 9.501 8.112 1.389 17551 5647 1 9 . 1 1 3 3 THR N N 3 118.304 118.304 115.362 2.942 17551 5648 1 9 . 1 1 3 3 THR HA H 3 4.021 4.021 4.429 -0.408 17551 5649 1 9 . 1 1 3 3 THR C C 3 173.811 173.811 175.128 -1.317 17551 5650 1 9 . 1 1 3 3 THR CA C 3 63.646 63.646 64.217 -0.571 17551 5651 1 9 . 1 1 3 3 THR CB C 3 69.230 69.230 69.299 -0.069 17551 5652 1 9 . 1 1 3 3 THR H H 3 7.721 7.721 7.908 -0.187 17551 5653 1 9 . 1 1 4 4 GLY N N 4 113.320 113.320 111.987 1.333 17551 5654 1 9 . 1 1 4 4 GLY C C 4 169.382 169.382 172.055 -2.673 17551 5655 1 9 . 1 1 4 4 GLY CA C 4 44.343 44.343 44.518 -0.175 17551 5656 1 9 . 1 1 4 4 GLY H H 4 8.881 8.881 8.475 0.406 17551 5657 1 9 . 1 1 5 5 LYS N N 5 120.330 120.330 120.618 -0.288 17551 5658 1 9 . 1 1 5 5 LYS HA H 5 5.255 5.255 5.284 -0.029 17551 5659 1 9 . 1 1 5 5 LYS C C 5 174.306 174.306 174.731 -0.425 17551 5660 1 9 . 1 1 5 5 LYS CA C 5 54.232 54.232 54.264 -0.032 17551 5661 1 9 . 1 1 5 5 LYS CB C 5 35.137 35.137 35.341 -0.204 17551 5662 1 9 . 1 1 5 5 LYS H H 5 7.914 7.914 8.307 -0.393 17551 5663 1 9 . 1 1 6 6 TYR N N 6 122.260 122.260 122.610 -0.350 17551 5664 1 9 . 1 1 6 6 TYR HA H 6 5.617 5.617 5.809 -0.192 17551 5665 1 9 . 1 1 6 6 TYR C C 6 174.519 174.519 175.397 -0.878 17551 5666 1 9 . 1 1 6 6 TYR CA C 6 55.158 55.158 56.138 -0.980 17551 5667 1 9 . 1 1 6 6 TYR CB C 6 41.637 41.637 42.493 -0.856 17551 5668 1 9 . 1 1 6 6 TYR H H 6 9.736 9.736 9.076 0.660 17551 5669 1 9 . 1 1 7 7 GLU N N 7 122.025 122.025 120.865 1.160 17551 5670 1 9 . 1 1 7 7 GLU HA H 7 5.096 5.096 5.184 -0.088 17551 5671 1 9 . 1 1 7 7 GLU C C 7 174.888 174.888 175.645 -0.757 17551 5672 1 9 . 1 1 7 7 GLU CA C 7 53.988 53.988 53.813 0.175 17551 5673 1 9 . 1 1 7 7 GLU CB C 7 33.716 33.716 34.299 -0.583 17551 5674 1 9 . 1 1 7 7 GLU H H 7 9.461 9.461 8.574 0.887 17551 5675 1 9 . 1 1 8 8 PHE N N 8 126.529 126.529 123.370 3.159 17551 5676 1 9 . 1 1 8 8 PHE HA H 8 4.599 4.599 4.323 0.276 17551 5677 1 9 . 1 1 8 8 PHE C C 8 172.999 172.999 175.528 -2.529 17551 5678 1 9 . 1 1 8 8 PHE CA C 8 59.847 59.847 60.705 -0.858 17551 5679 1 9 . 1 1 8 8 PHE CB C 8 40.687 40.687 39.336 1.351 17551 5680 1 9 . 1 1 8 8 PHE H H 8 7.986 7.986 8.867 -0.881 17551 5681 1 9 . 1 1 9 9 GLU N N 9 129.046 129.046 128.280 0.766 17551 5682 1 9 . 1 1 9 9 GLU HA H 9 4.306 4.306 4.655 -0.349 17551 5683 1 9 . 1 1 9 9 GLU C C 9 174.528 174.528 175.737 -1.209 17551 5684 1 9 . 1 1 9 9 GLU CA C 9 56.545 56.545 56.680 -0.135 17551 5685 1 9 . 1 1 9 9 GLU CB C 9 32.798 32.798 31.691 1.107 17551 5686 1 9 . 1 1 9 9 GLU H H 9 9.151 9.151 8.415 0.736 17551 5687 1 9 . 1 1 10 10 SER N N 10 111.041 111.041 112.978 -1.937 17551 5688 1 9 . 1 1 10 10 SER HA H 10 4.258 4.258 4.859 -0.601 17551 5689 1 9 . 1 1 10 10 SER C C 10 171.216 171.216 172.103 -0.887 17551 5690 1 9 . 1 1 10 10 SER CA C 10 57.930 57.930 57.250 0.680 17551 5691 1 9 . 1 1 10 10 SER CB C 10 64.720 64.720 65.491 -0.771 17551 5692 1 9 . 1 1 10 10 SER H H 10 7.612 7.612 7.994 -0.382 17551 5693 1 9 . 1 1 11 11 ASP N N 11 118.058 118.058 117.310 0.748 17551 5694 1 9 . 1 1 11 11 ASP HA H 11 5.500 5.500 5.151 0.349 17551 5695 1 9 . 1 1 11 11 ASP C C 11 174.845 174.845 174.217 0.628 17551 5696 1 9 . 1 1 11 11 ASP CA C 11 51.633 51.633 53.694 -2.062 17551 5697 1 9 . 1 1 11 11 ASP H H 11 8.632 8.632 8.468 0.164 17551 5698 1 9 . 1 1 12 12 GLU N N 12 117.523 117.523 121.777 -4.254 17551 5699 1 9 . 1 1 12 12 GLU HA H 12 4.782 4.782 4.624 0.158 17551 5700 1 9 . 1 1 12 12 GLU C C 12 175.293 175.293 175.334 -0.041 17551 5701 1 9 . 1 1 12 12 GLU CB C 12 33.450 33.450 33.218 0.232 17551 5702 1 9 . 1 1 12 12 GLU H H 12 8.562 8.562 8.875 -0.313 17551 5703 1 9 . 1 1 13 13 ASN N N 13 118.877 118.877 121.637 -2.760 17551 5704 1 9 . 1 1 13 13 ASN HA H 13 4.742 4.742 4.509 0.233 17551 5705 1 9 . 1 1 13 13 ASN C C 13 175.303 175.303 175.160 0.143 17551 5706 1 9 . 1 1 13 13 ASN CA C 13 53.373 53.373 54.694 -1.321 17551 5707 1 9 . 1 1 13 13 ASN CB C 13 37.207 37.207 36.859 0.348 17551 5708 1 9 . 1 1 13 13 ASN H H 13 9.110 9.110 9.049 0.061 17551 5709 1 9 . 1 1 14 14 TYR N N 14 118.061 118.061 120.622 -2.561 17551 5710 1 9 . 1 1 14 14 TYR HA H 14 4.015 4.015 4.227 -0.212 17551 5711 1 9 . 1 1 14 14 TYR C C 14 176.581 176.581 176.569 0.012 17551 5712 1 9 . 1 1 14 14 TYR CA C 14 62.797 62.797 63.263 -0.466 17551 5713 1 9 . 1 1 14 14 TYR CB C 14 38.998 38.998 38.678 0.320 17551 5714 1 9 . 1 1 14 14 TYR H H 14 8.731 8.731 7.935 0.796 17551 5715 1 9 . 1 1 15 15 ASP N N 15 115.317 115.317 118.727 -3.410 17551 5716 1 9 . 1 1 15 15 ASP HA H 15 4.112 4.112 4.420 -0.308 17551 5717 1 9 . 1 1 15 15 ASP C C 15 178.333 178.333 178.241 0.092 17551 5718 1 9 . 1 1 15 15 ASP CA C 15 57.819 57.819 59.001 -1.182 17551 5719 1 9 . 1 1 15 15 ASP CB C 15 40.410 40.410 40.192 0.218 17551 5720 1 9 . 1 1 15 15 ASP H H 15 8.316 8.316 9.145 -0.829 17551 5721 1 9 . 1 1 16 16 ASP N N 16 117.774 117.774 119.847 -2.073 17551 5722 1 9 . 1 1 16 16 ASP HA H 16 4.392 4.392 4.392 0.000 17551 5723 1 9 . 1 1 16 16 ASP C C 16 178.597 178.597 177.906 0.691 17551 5724 1 9 . 1 1 16 16 ASP CA C 16 56.348 56.348 57.978 -1.630 17551 5725 1 9 . 1 1 16 16 ASP CB C 16 39.883 39.883 40.963 -1.080 17551 5726 1 9 . 1 1 16 16 ASP H H 16 8.449 8.449 8.190 0.259 17551 5727 1 9 . 1 1 17 17 PHE N N 17 120.363 120.363 121.209 -0.846 17551 5728 1 9 . 1 1 17 17 PHE HA H 17 4.068 4.068 4.096 -0.028 17551 5729 1 9 . 1 1 17 17 PHE C C 17 176.755 176.755 176.769 -0.014 17551 5730 1 9 . 1 1 17 17 PHE CA C 17 61.840 61.840 61.156 0.684 17551 5731 1 9 . 1 1 17 17 PHE CB C 17 39.794 39.794 38.992 0.802 17551 5732 1 9 . 1 1 17 17 PHE H H 17 7.931 7.931 7.899 0.032 17551 5733 1 9 . 1 1 18 18 VAL N N 18 110.180 110.180 117.104 -6.924 17551 5734 1 9 . 1 1 18 18 VAL HA H 18 3.595 3.595 3.322 0.273 17551 5735 1 9 . 1 1 18 18 VAL C C 18 178.434 178.434 177.717 0.717 17551 5736 1 9 . 1 1 18 18 VAL CA C 18 64.697 64.697 66.630 -1.933 17551 5737 1 9 . 1 1 18 18 VAL CB C 18 29.602 29.602 31.197 -1.595 17551 5738 1 9 . 1 1 18 18 VAL H H 18 8.294 8.294 8.361 -0.067 17551 5739 1 9 . 1 1 19 19 LYS N N 19 119.749 119.749 118.379 1.370 17551 5740 1 9 . 1 1 19 19 LYS HA H 19 4.108 4.108 4.093 0.015 17551 5741 1 9 . 1 1 19 19 LYS C C 19 179.796 179.796 178.980 0.816 17551 5742 1 9 . 1 1 19 19 LYS CA C 19 58.320 58.320 58.071 0.249 17551 5743 1 9 . 1 1 19 19 LYS CB C 19 31.918 31.918 31.913 0.005 17551 5744 1 9 . 1 1 19 19 LYS H H 19 7.382 7.382 8.127 -0.745 17551 5745 1 9 . 1 1 20 20 LYS N N 20 121.187 121.187 119.845 1.342 17551 5746 1 9 . 1 1 20 20 LYS HA H 20 4.071 4.071 4.133 -0.062 17551 5747 1 9 . 1 1 20 20 LYS C C 20 179.071 179.071 178.693 0.378 17551 5748 1 9 . 1 1 20 20 LYS CA C 20 57.347 57.347 58.372 -1.025 17551 5749 1 9 . 1 1 20 20 LYS CB C 20 30.633 30.633 32.518 -1.885 17551 5750 1 9 . 1 1 20 20 LYS H H 20 7.718 7.718 7.385 0.333 17551 5751 1 9 . 1 1 21 21 ILE N N 21 109.363 109.363 112.322 -2.959 17551 5752 1 9 . 1 1 21 21 ILE HA H 21 4.212 4.212 4.055 0.157 17551 5753 1 9 . 1 1 21 21 ILE C C 21 176.366 176.366 176.100 0.266 17551 5754 1 9 . 1 1 21 21 ILE CA C 21 61.610 61.610 61.750 -0.140 17551 5755 1 9 . 1 1 21 21 ILE CB C 21 36.968 36.968 38.228 -1.260 17551 5756 1 9 . 1 1 21 21 ILE H H 21 7.591 7.591 7.651 -0.060 17551 5757 1 9 . 1 1 22 22 GLY N N 22 107.961 107.961 107.780 0.181 17551 5758 1 9 . 1 1 22 22 GLY C C 22 174.877 174.877 174.714 0.163 17551 5759 1 9 . 1 1 22 22 GLY CA C 22 45.510 45.510 44.645 0.865 17551 5760 1 9 . 1 1 22 22 GLY H H 22 7.260 7.260 7.312 -0.052 17551 5761 1 9 . 1 1 23 23 LEU N N 23 120.597 120.597 122.473 -1.876 17551 5762 1 9 . 1 1 23 23 LEU HA H 23 4.207 4.207 4.478 -0.271 17551 5763 1 9 . 1 1 23 23 LEU CA C 23 52.923 52.923 52.938 -0.015 17551 5764 1 9 . 1 1 23 23 LEU CB C 23 42.241 42.241 42.984 -0.743 17551 5765 1 9 . 1 1 23 23 LEU H H 23 7.314 7.314 7.907 -0.593 17551 5766 1 9 . 1 1 24 24 PRO HA H 24 4.537 4.537 4.540 -0.003 17551 5767 1 9 . 1 1 24 24 PRO C C 24 177.702 177.702 177.282 0.420 17551 5768 1 9 . 1 1 24 24 PRO CA C 24 61.891 61.891 62.311 -0.420 17551 5769 1 9 . 1 1 24 24 PRO CB C 24 32.260 32.260 32.688 -0.428 17551 5770 1 9 . 1 1 25 25 ALA N N 25 123.142 123.142 127.902 -4.760 17551 5771 1 9 . 1 1 25 25 ALA HA H 25 3.935 3.935 3.998 -0.063 17551 5772 1 9 . 1 1 25 25 ALA C C 25 179.461 179.461 179.342 0.119 17551 5773 1 9 . 1 1 25 25 ALA CA C 25 55.314 55.314 55.457 -0.143 17551 5774 1 9 . 1 1 25 25 ALA CB C 25 18.220 18.220 18.427 -0.207 17551 5775 1 9 . 1 1 25 25 ALA H H 25 8.738 8.738 8.719 0.019 17551 5776 1 9 . 1 1 26 26 ASP N N 26 115.440 115.440 118.100 -2.660 17551 5777 1 9 . 1 1 26 26 ASP HA H 26 4.379 4.379 4.354 0.025 17551 5778 1 9 . 1 1 26 26 ASP C C 26 179.291 179.291 178.578 0.713 17551 5779 1 9 . 1 1 26 26 ASP CA C 26 56.015 56.015 57.621 -1.606 17551 5780 1 9 . 1 1 26 26 ASP CB C 26 38.136 38.136 40.252 -2.116 17551 5781 1 9 . 1 1 26 26 ASP H H 26 8.971 8.971 8.792 0.179 17551 5782 1 9 . 1 1 27 27 LYS N N 27 122.292 122.292 118.128 4.164 17551 5783 1 9 . 1 1 27 27 LYS HA H 27 4.160 4.160 4.328 -0.168 17551 5784 1 9 . 1 1 27 27 LYS C C 27 177.758 177.758 178.675 -0.917 17551 5785 1 9 . 1 1 27 27 LYS CA C 27 58.022 58.022 57.053 0.969 17551 5786 1 9 . 1 1 27 27 LYS CB C 27 31.334 31.334 32.528 -1.194 17551 5787 1 9 . 1 1 27 27 LYS H H 27 7.434 7.434 7.614 -0.180 17551 5788 1 9 . 1 1 28 28 ILE N N 28 119.737 119.737 121.964 -2.227 17551 5789 1 9 . 1 1 28 28 ILE HA H 28 3.586 3.586 3.811 -0.225 17551 5790 1 9 . 1 1 28 28 ILE C C 28 180.386 180.386 178.749 1.637 17551 5791 1 9 . 1 1 28 28 ILE CA C 28 65.027 65.027 65.733 -0.706 17551 5792 1 9 . 1 1 28 28 ILE CB C 28 37.002 37.002 38.011 -1.009 17551 5793 1 9 . 1 1 28 28 ILE H H 28 8.016 8.016 8.598 -0.582 17551 5794 1 9 . 1 1 29 29 GLU N N 29 117.216 117.216 118.083 -0.867 17551 5795 1 9 . 1 1 29 29 GLU HA H 29 4.294 4.294 4.146 0.148 17551 5796 1 9 . 1 1 29 29 GLU C C 29 179.024 179.024 178.763 0.261 17551 5797 1 9 . 1 1 29 29 GLU CA C 29 58.139 58.139 58.822 -0.683 17551 5798 1 9 . 1 1 29 29 GLU CB C 29 28.028 28.028 29.105 -1.077 17551 5799 1 9 . 1 1 29 29 GLU H H 29 7.755 7.755 8.351 -0.596 17551 5800 1 9 . 1 1 30 30 MET N N 30 119.183 119.183 119.418 -0.235 17551 5801 1 9 . 1 1 30 30 MET HA H 30 4.194 4.194 4.540 -0.346 17551 5802 1 9 . 1 1 30 30 MET C C 30 177.683 177.683 177.000 0.683 17551 5803 1 9 . 1 1 30 30 MET CA C 30 58.150 58.150 56.088 2.062 17551 5804 1 9 . 1 1 30 30 MET CB C 30 33.162 33.162 33.116 0.046 17551 5805 1 9 . 1 1 30 30 MET H H 30 7.659 7.659 7.591 0.068 17551 5806 1 9 . 1 1 31 31 GLY N N 31 102.603 102.603 105.682 -3.079 17551 5807 1 9 . 1 1 31 31 GLY C C 31 172.264 172.264 173.414 -1.150 17551 5808 1 9 . 1 1 31 31 GLY CA C 31 45.433 45.433 44.898 0.535 17551 5809 1 9 . 1 1 31 31 GLY H H 31 7.839 7.839 8.362 -0.523 17551 5810 1 9 . 1 1 32 32 ARG N N 32 121.453 121.453 119.686 1.767 17551 5811 1 9 . 1 1 32 32 ARG HA H 32 3.072 3.072 4.276 -1.204 17551 5812 1 9 . 1 1 32 32 ARG C C 32 175.932 175.932 175.225 0.707 17551 5813 1 9 . 1 1 32 32 ARG CA C 32 56.894 56.894 55.265 1.629 17551 5814 1 9 . 1 1 32 32 ARG CB C 32 29.004 29.004 30.591 -1.587 17551 5815 1 9 . 1 1 32 32 ARG H H 32 6.954 6.954 7.555 -0.601 17551 5816 1 9 . 1 1 33 33 ASN N N 33 127.905 127.905 116.307 11.598 17551 5817 1 9 . 1 1 33 33 ASN HA H 33 4.066 4.066 3.881 0.185 17551 5818 1 9 . 1 1 33 33 ASN C C 33 173.939 173.939 174.231 -0.292 17551 5819 1 9 . 1 1 33 33 ASN CA C 33 53.539 53.539 54.025 -0.486 17551 5820 1 9 . 1 1 33 33 ASN CB C 33 37.017 37.017 37.921 -0.904 17551 5821 1 9 . 1 1 33 33 ASN H H 33 8.990 8.990 8.413 0.577 17551 5822 1 9 . 1 1 34 34 CYS N N 34 116.649 116.649 117.734 -1.085 17551 5823 1 9 . 1 1 34 34 CYS HA H 34 4.018 4.018 4.352 -0.334 17551 5824 1 9 . 1 1 34 34 CYS C C 34 175.384 175.384 174.706 0.678 17551 5825 1 9 . 1 1 34 34 CYS CA C 34 57.216 57.216 58.400 -1.184 17551 5826 1 9 . 1 1 34 34 CYS CB C 34 27.200 27.200 29.205 -2.005 17551 5827 1 9 . 1 1 34 34 CYS H H 34 7.443 7.443 7.446 -0.003 17551 5828 1 9 . 1 1 35 35 LYS N N 35 130.727 130.727 121.050 9.677 17551 5829 1 9 . 1 1 35 35 LYS HA H 35 4.296 4.296 4.449 -0.153 17551 5830 1 9 . 1 1 35 35 LYS C C 35 175.272 175.272 175.098 0.174 17551 5831 1 9 . 1 1 35 35 LYS CA C 35 55.577 55.577 55.708 -0.131 17551 5832 1 9 . 1 1 35 35 LYS CB C 35 29.487 29.487 32.244 -2.757 17551 5833 1 9 . 1 1 35 35 LYS H H 35 8.691 8.691 8.178 0.513 17551 5834 1 9 . 1 1 36 36 ILE N N 36 125.658 125.658 126.374 -0.716 17551 5835 1 9 . 1 1 36 36 ILE HA H 36 4.010 4.010 4.837 -0.827 17551 5836 1 9 . 1 1 36 36 ILE C C 36 177.115 177.115 175.767 1.348 17551 5837 1 9 . 1 1 36 36 ILE CA C 36 62.608 62.608 60.192 2.416 17551 5838 1 9 . 1 1 36 36 ILE CB C 36 39.739 39.739 39.988 -0.249 17551 5839 1 9 . 1 1 36 36 ILE H H 36 7.658 7.658 8.139 -0.481 17551 5840 1 9 . 1 1 37 37 VAL N N 37 130.730 130.730 130.025 0.705 17551 5841 1 9 . 1 1 37 37 VAL HA H 37 5.105 5.105 4.912 0.193 17551 5842 1 9 . 1 1 37 37 VAL C C 37 175.295 175.295 176.145 -0.850 17551 5843 1 9 . 1 1 37 37 VAL CA C 37 60.845 60.845 61.594 -0.749 17551 5844 1 9 . 1 1 37 37 VAL CB C 37 33.716 33.716 32.830 0.886 17551 5845 1 9 . 1 1 37 37 VAL H H 37 7.909 7.909 8.575 -0.666 17551 5846 1 9 . 1 1 38 38 THR N N 38 127.066 127.066 125.071 1.995 17551 5847 1 9 . 1 1 38 38 THR HA H 38 5.405 5.405 5.168 0.237 17551 5848 1 9 . 1 1 38 38 THR C C 38 174.035 174.035 174.053 -0.018 17551 5849 1 9 . 1 1 38 38 THR CA C 38 61.303 61.303 61.150 0.153 17551 5850 1 9 . 1 1 38 38 THR CB C 38 70.474 70.474 68.965 1.509 17551 5851 1 9 . 1 1 38 38 THR H H 38 9.393 9.393 9.434 -0.041 17551 5852 1 9 . 1 1 39 39 GLU N N 39 126.804 126.804 128.882 -2.078 17551 5853 1 9 . 1 1 39 39 GLU HA H 39 5.216 5.216 4.671 0.545 17551 5854 1 9 . 1 1 39 39 GLU C C 39 174.379 174.379 174.856 -0.477 17551 5855 1 9 . 1 1 39 39 GLU CA C 39 54.232 54.232 55.789 -1.557 17551 5856 1 9 . 1 1 39 39 GLU CB C 39 32.531 32.531 30.653 1.878 17551 5857 1 9 . 1 1 39 39 GLU H H 39 9.728 9.728 9.053 0.675 17551 5858 1 9 . 1 1 40 40 VAL N N 40 125.405 125.405 127.331 -1.926 17551 5859 1 9 . 1 1 40 40 VAL HA H 40 4.859 4.859 5.174 -0.315 17551 5860 1 9 . 1 1 40 40 VAL C C 40 176.139 176.139 175.308 0.831 17551 5861 1 9 . 1 1 40 40 VAL CA C 40 60.091 60.091 61.135 -1.044 17551 5862 1 9 . 1 1 40 40 VAL CB C 40 33.952 33.952 33.274 0.678 17551 5863 1 9 . 1 1 40 40 VAL H H 40 9.326 9.326 8.998 0.328 17551 5864 1 9 . 1 1 41 41 VAL N N 41 127.197 127.197 127.890 -0.693 17551 5865 1 9 . 1 1 41 41 VAL HA H 41 4.144 4.144 4.437 -0.293 17551 5866 1 9 . 1 1 41 41 VAL C C 41 173.604 173.604 174.277 -0.673 17551 5867 1 9 . 1 1 41 41 VAL CA C 41 62.522 62.522 60.482 2.040 17551 5868 1 9 . 1 1 41 41 VAL CB C 41 33.757 33.757 33.989 -0.232 17551 5869 1 9 . 1 1 41 41 VAL H H 41 8.811 8.811 8.054 0.757 17551 5870 1 9 . 1 1 42 42 GLN N N 42 130.317 130.317 127.624 2.693 17551 5871 1 9 . 1 1 42 42 GLN HA H 42 4.430 4.430 4.069 0.361 17551 5872 1 9 . 1 1 42 42 GLN C C 42 174.239 174.239 174.788 -0.549 17551 5873 1 9 . 1 1 42 42 GLN CA C 42 52.960 52.960 56.044 -3.084 17551 5874 1 9 . 1 1 42 42 GLN CB C 42 29.877 29.877 29.604 0.273 17551 5875 1 9 . 1 1 42 42 GLN H H 42 8.345 8.345 8.752 -0.407 17551 5876 1 9 . 1 1 43 43 ASN N N 43 125.513 125.513 127.236 -1.723 17551 5877 1 9 . 1 1 43 43 ASN HA H 43 4.826 4.826 4.850 -0.024 17551 5878 1 9 . 1 1 43 43 ASN C C 43 175.350 175.350 175.156 0.194 17551 5879 1 9 . 1 1 43 43 ASN CA C 43 51.303 51.303 52.776 -1.474 17551 5880 1 9 . 1 1 43 43 ASN CB C 43 39.051 39.051 39.325 -0.274 17551 5881 1 9 . 1 1 43 43 ASN H H 43 8.772 8.772 8.021 0.751 17551 5882 1 9 . 1 1 44 44 GLY N N 44 115.694 115.694 112.631 3.063 17551 5883 1 9 . 1 1 44 44 GLY C C 44 173.199 173.199 174.641 -1.442 17551 5884 1 9 . 1 1 44 44 GLY CA C 44 46.964 46.964 46.693 0.271 17551 5885 1 9 . 1 1 44 44 GLY H H 44 9.187 9.187 8.575 0.612 17551 5886 1 9 . 1 1 45 45 ASN N N 45 125.520 125.520 123.679 1.841 17551 5887 1 9 . 1 1 45 45 ASN HA H 45 4.991 4.991 4.809 0.182 17551 5888 1 9 . 1 1 45 45 ASN C C 45 173.822 173.822 172.849 0.973 17551 5889 1 9 . 1 1 45 45 ASN CA C 45 52.215 52.215 52.321 -0.106 17551 5890 1 9 . 1 1 45 45 ASN CB C 45 38.700 38.700 40.197 -1.497 17551 5891 1 9 . 1 1 45 45 ASN H H 45 8.854 8.854 8.276 0.578 17551 5892 1 9 . 1 1 46 46 ASP N N 46 120.842 120.842 120.654 0.188 17551 5893 1 9 . 1 1 46 46 ASP HA H 46 5.185 5.185 5.076 0.109 17551 5894 1 9 . 1 1 46 46 ASP C C 46 174.705 174.705 174.169 0.536 17551 5895 1 9 . 1 1 46 46 ASP CA C 46 53.658 53.658 52.837 0.820 17551 5896 1 9 . 1 1 46 46 ASP CB C 46 41.025 41.025 41.633 -0.608 17551 5897 1 9 . 1 1 46 46 ASP H H 46 7.921 7.921 7.497 0.424 17551 5898 1 9 . 1 1 47 47 PHE N N 47 121.470 121.470 125.992 -4.522 17551 5899 1 9 . 1 1 47 47 PHE HA H 47 5.161 5.161 5.330 -0.169 17551 5900 1 9 . 1 1 47 47 PHE C C 47 177.125 177.125 175.425 1.700 17551 5901 1 9 . 1 1 47 47 PHE CA C 47 56.591 56.591 55.728 0.863 17551 5902 1 9 . 1 1 47 47 PHE CB C 47 44.035 44.035 42.297 1.738 17551 5903 1 9 . 1 1 47 47 PHE H H 47 9.263 9.263 8.469 0.794 17551 5904 1 9 . 1 1 48 48 THR N N 48 116.950 116.950 115.843 1.107 17551 5905 1 9 . 1 1 48 48 THR HA H 48 4.861 4.861 4.819 0.042 17551 5906 1 9 . 1 1 48 48 THR C C 48 172.499 172.499 173.905 -1.406 17551 5907 1 9 . 1 1 48 48 THR CA C 48 62.943 62.943 61.301 1.642 17551 5908 1 9 . 1 1 48 48 THR CB C 48 70.360 70.360 69.666 0.694 17551 5909 1 9 . 1 1 48 48 THR H H 48 8.831 8.831 8.392 0.439 17551 5910 1 9 . 1 1 49 49 TRP N N 49 132.266 132.266 128.069 4.197 17551 5911 1 9 . 1 1 49 49 TRP HA H 49 4.955 4.955 4.920 0.035 17551 5912 1 9 . 1 1 49 49 TRP C C 49 175.842 175.842 174.658 1.184 17551 5913 1 9 . 1 1 49 49 TRP CA C 49 57.286 57.286 56.335 0.951 17551 5914 1 9 . 1 1 49 49 TRP CB C 49 31.894 31.894 31.547 0.347 17551 5915 1 9 . 1 1 49 49 TRP H H 49 9.914 9.914 9.556 0.358 17551 5916 1 9 . 1 1 50 50 THR N N 50 131.707 131.707 123.396 8.311 17551 5917 1 9 . 1 1 50 50 THR HA H 50 5.928 5.928 4.710 1.218 17551 5918 1 9 . 1 1 50 50 THR C C 50 173.408 173.408 173.424 -0.016 17551 5919 1 9 . 1 1 50 50 THR CA C 50 60.993 60.993 61.889 -0.896 17551 5920 1 9 . 1 1 50 50 THR CB C 50 70.957 70.957 69.405 1.552 17551 5921 1 9 . 1 1 50 50 THR H H 50 9.524 9.524 8.281 1.243 17551 5922 1 9 . 1 1 51 51 GLN N N 51 124.680 124.680 127.460 -2.780 17551 5923 1 9 . 1 1 51 51 GLN HA H 51 5.056 5.056 5.196 -0.140 17551 5924 1 9 . 1 1 51 51 GLN C C 51 175.328 175.328 174.996 0.332 17551 5925 1 9 . 1 1 51 51 GLN CA C 51 56.309 56.309 54.612 1.697 17551 5926 1 9 . 1 1 51 51 GLN CB C 51 29.046 29.046 30.570 -1.524 17551 5927 1 9 . 1 1 51 51 GLN H H 51 9.456 9.456 9.279 0.177 17551 5928 1 9 . 1 1 52 52 HIS N N 52 122.268 122.268 125.095 -2.827 17551 5929 1 9 . 1 1 52 52 HIS HA H 52 5.051 5.051 4.872 0.179 17551 5930 1 9 . 1 1 52 52 HIS C C 52 174.819 174.819 174.197 0.622 17551 5931 1 9 . 1 1 52 52 HIS CA C 52 54.039 54.039 55.018 -0.979 17551 5932 1 9 . 1 1 52 52 HIS CB C 52 29.432 29.432 31.464 -2.032 17551 5933 1 9 . 1 1 52 52 HIS H H 52 9.534 9.534 9.137 0.397 17551 5934 1 9 . 1 1 53 53 PHE N N 53 129.837 129.837 125.287 4.550 17551 5935 1 9 . 1 1 53 53 PHE HA H 53 4.584 4.584 4.952 -0.368 17551 5936 1 9 . 1 1 53 53 PHE CA C 53 56.312 56.312 54.101 2.211 17551 5937 1 9 . 1 1 53 53 PHE CB C 53 40.660 40.660 41.883 -1.223 17551 5938 1 9 . 1 1 53 53 PHE H H 53 8.641 8.641 8.722 -0.081 17551 5939 1 9 . 1 1 54 54 PRO HA H 54 4.291 4.291 4.386 -0.095 17551 5940 1 9 . 1 1 54 54 PRO C C 54 177.389 177.389 176.545 0.844 17551 5941 1 9 . 1 1 54 54 PRO CA C 54 63.569 63.569 63.342 0.227 17551 5942 1 9 . 1 1 54 54 PRO CB C 54 30.471 30.471 30.749 -0.278 17551 5943 1 9 . 1 1 55 55 GLY N N 55 113.867 113.867 113.488 0.379 17551 5944 1 9 . 1 1 55 55 GLY C C 55 175.164 175.164 174.217 0.947 17551 5945 1 9 . 1 1 55 55 GLY CA C 55 45.258 45.258 45.166 0.091 17551 5946 1 9 . 1 1 55 55 GLY H H 55 8.926 8.926 8.589 0.337 17551 5947 1 9 . 1 1 56 56 GLY N N 56 108.877 108.877 108.631 0.246 17551 5948 1 9 . 1 1 56 56 GLY C C 56 174.054 174.054 172.931 1.123 17551 5949 1 9 . 1 1 56 56 GLY CA C 56 44.534 44.534 44.836 -0.302 17551 5950 1 9 . 1 1 56 56 GLY H H 56 8.426 8.426 7.658 0.768 17551 5951 1 9 . 1 1 57 57 ARG N N 57 123.871 123.871 118.561 5.310 17551 5952 1 9 . 1 1 57 57 ARG HA H 57 4.483 4.483 4.563 -0.080 17551 5953 1 9 . 1 1 57 57 ARG C C 57 176.728 176.728 175.581 1.147 17551 5954 1 9 . 1 1 57 57 ARG CA C 57 56.217 56.217 56.096 0.121 17551 5955 1 9 . 1 1 57 57 ARG CB C 57 31.388 31.388 30.630 0.758 17551 5956 1 9 . 1 1 57 57 ARG H H 57 8.474 8.474 8.476 -0.002 17551 5957 1 9 . 1 1 58 58 THR N N 58 122.156 122.156 116.488 5.668 17551 5958 1 9 . 1 1 58 58 THR HA H 58 5.299 5.299 4.670 0.629 17551 5959 1 9 . 1 1 58 58 THR C C 58 174.092 174.092 174.760 -0.668 17551 5960 1 9 . 1 1 58 58 THR CA C 58 62.125 62.125 61.217 0.908 17551 5961 1 9 . 1 1 58 58 THR CB C 58 70.339 70.339 71.012 -0.673 17551 5962 1 9 . 1 1 58 58 THR H H 58 8.818 8.818 8.316 0.502 17551 5963 1 9 . 1 1 59 59 THR N N 59 127.287 127.287 124.377 2.910 17551 5964 1 9 . 1 1 59 59 THR HA H 59 4.505 4.505 4.627 -0.122 17551 5965 1 9 . 1 1 59 59 THR C C 59 172.626 172.626 172.662 -0.036 17551 5966 1 9 . 1 1 59 59 THR CA C 59 62.163 62.163 61.969 0.194 17551 5967 1 9 . 1 1 59 59 THR CB C 59 70.565 70.565 70.628 -0.063 17551 5968 1 9 . 1 1 59 59 THR H H 59 9.281 9.281 9.128 0.153 17551 5969 1 9 . 1 1 60 60 THR N N 60 123.658 123.658 123.327 0.331 17551 5970 1 9 . 1 1 60 60 THR HA H 60 5.105 5.105 5.299 -0.194 17551 5971 1 9 . 1 1 60 60 THR C C 60 172.453 172.453 173.664 -1.211 17551 5972 1 9 . 1 1 60 60 THR CA C 60 61.277 61.277 61.432 -0.155 17551 5973 1 9 . 1 1 60 60 THR CB C 60 70.432 70.432 70.473 -0.041 17551 5974 1 9 . 1 1 60 60 THR H H 60 8.952 8.952 8.606 0.346 17551 5975 1 9 . 1 1 61 61 ASN N N 61 124.292 124.292 127.019 -2.727 17551 5976 1 9 . 1 1 61 61 ASN HA H 61 5.384 5.384 5.107 0.277 17551 5977 1 9 . 1 1 61 61 ASN C C 61 173.609 173.609 173.909 -0.300 17551 5978 1 9 . 1 1 61 61 ASN CA C 61 52.190 52.190 52.684 -0.493 17551 5979 1 9 . 1 1 61 61 ASN CB C 61 43.987 43.987 42.482 1.505 17551 5980 1 9 . 1 1 61 61 ASN H H 61 8.848 8.848 9.277 -0.429 17551 5981 1 9 . 1 1 62 62 SER N N 62 118.046 118.046 118.556 -0.510 17551 5982 1 9 . 1 1 62 62 SER HA H 62 5.659 5.659 5.025 0.634 17551 5983 1 9 . 1 1 62 62 SER C C 62 172.545 172.545 173.424 -0.879 17551 5984 1 9 . 1 1 62 62 SER CA C 62 56.974 56.974 57.222 -0.248 17551 5985 1 9 . 1 1 62 62 SER CB C 62 64.719 64.719 63.846 0.873 17551 5986 1 9 . 1 1 62 62 SER H H 62 8.986 8.986 8.821 0.165 17551 5987 1 9 . 1 1 63 63 PHE N N 63 118.769 118.769 120.407 -1.638 17551 5988 1 9 . 1 1 63 63 PHE HA H 63 5.016 5.016 5.021 -0.005 17551 5989 1 9 . 1 1 63 63 PHE C C 63 172.500 172.500 173.504 -1.004 17551 5990 1 9 . 1 1 63 63 PHE CA C 63 55.793 55.793 56.327 -0.534 17551 5991 1 9 . 1 1 63 63 PHE CB C 63 39.459 39.459 41.684 -2.225 17551 5992 1 9 . 1 1 63 63 PHE H H 63 8.514 8.514 8.339 0.175 17551 5993 1 9 . 1 1 64 64 THR N N 64 120.318 120.318 118.380 1.938 17551 5994 1 9 . 1 1 64 64 THR HA H 64 5.617 5.617 4.902 0.715 17551 5995 1 9 . 1 1 64 64 THR C C 64 175.240 175.240 174.628 0.612 17551 5996 1 9 . 1 1 64 64 THR CA C 64 60.409 60.409 61.464 -1.055 17551 5997 1 9 . 1 1 64 64 THR CB C 64 71.213 71.213 70.478 0.735 17551 5998 1 9 . 1 1 64 64 THR H H 64 9.743 9.743 8.655 1.088 17551 5999 1 9 . 1 1 65 65 ILE N N 65 127.640 127.640 127.336 0.304 17551 6000 1 9 . 1 1 65 65 ILE HA H 65 4.089 4.089 3.844 0.245 17551 6001 1 9 . 1 1 65 65 ILE C C 65 176.477 176.477 177.420 -0.943 17551 6002 1 9 . 1 1 65 65 ILE CA C 65 59.299 59.299 61.597 -2.299 17551 6003 1 9 . 1 1 65 65 ILE CB C 65 35.445 35.445 36.460 -1.015 17551 6004 1 9 . 1 1 65 65 ILE H H 65 8.961 8.961 8.967 -0.006 17551 6005 1 9 . 1 1 66 66 ASP N N 66 117.361 117.361 123.886 -6.525 17551 6006 1 9 . 1 1 66 66 ASP HA H 66 4.080 4.080 4.225 -0.145 17551 6007 1 9 . 1 1 66 66 ASP C C 66 174.730 174.730 174.304 0.426 17551 6008 1 9 . 1 1 66 66 ASP CA C 66 57.150 57.150 56.071 1.079 17551 6009 1 9 . 1 1 66 66 ASP CB C 66 38.442 38.442 40.630 -2.188 17551 6010 1 9 . 1 1 66 66 ASP H H 66 9.264 9.264 9.268 -0.004 17551 6011 1 9 . 1 1 67 67 LYS N N 67 121.171 121.171 119.000 2.171 17551 6012 1 9 . 1 1 67 67 LYS HA H 67 4.805 4.805 4.640 0.165 17551 6013 1 9 . 1 1 67 67 LYS C C 67 175.115 175.115 174.689 0.426 17551 6014 1 9 . 1 1 67 67 LYS CA C 67 53.900 53.900 54.385 -0.485 17551 6015 1 9 . 1 1 67 67 LYS CB C 67 34.256 34.256 35.635 -1.379 17551 6016 1 9 . 1 1 67 67 LYS H H 67 8.185 8.185 7.729 0.456 17551 6017 1 9 . 1 1 68 68 GLU N N 68 130.373 130.373 124.067 6.306 17551 6018 1 9 . 1 1 68 68 GLU HA H 68 4.194 4.194 4.567 -0.373 17551 6019 1 9 . 1 1 68 68 GLU C C 68 175.449 175.449 175.576 -0.127 17551 6020 1 9 . 1 1 68 68 GLU CA C 68 58.343 58.343 56.625 1.718 17551 6021 1 9 . 1 1 68 68 GLU H H 68 8.879 8.879 8.659 0.220 17551 6022 1 9 . 1 1 69 69 ALA N N 69 130.113 130.113 125.353 4.760 17551 6023 1 9 . 1 1 69 69 ALA HA H 69 4.924 4.924 4.641 0.283 17551 6024 1 9 . 1 1 69 69 ALA C C 69 175.797 175.797 175.569 0.228 17551 6025 1 9 . 1 1 69 69 ALA CA C 69 50.151 50.151 50.616 -0.465 17551 6026 1 9 . 1 1 69 69 ALA CB C 69 22.239 22.239 22.792 -0.553 17551 6027 1 9 . 1 1 69 69 ALA H H 69 8.864 8.864 8.816 0.048 17551 6028 1 9 . 1 1 70 70 ASP N N 70 120.889 120.889 123.041 -2.152 17551 6029 1 9 . 1 1 70 70 ASP HA H 70 4.852 4.852 4.840 0.012 17551 6030 1 9 . 1 1 70 70 ASP C C 70 175.541 175.541 175.220 0.321 17551 6031 1 9 . 1 1 70 70 ASP CA C 70 54.211 54.211 54.635 -0.423 17551 6032 1 9 . 1 1 70 70 ASP CB C 70 41.052 41.052 41.020 0.032 17551 6033 1 9 . 1 1 70 70 ASP H H 70 8.319 8.319 8.698 -0.379 17551 6034 1 9 . 1 1 71 71 MET N N 71 125.005 125.005 122.386 2.619 17551 6035 1 9 . 1 1 71 71 MET HA H 71 4.743 4.743 4.908 -0.165 17551 6036 1 9 . 1 1 71 71 MET C C 71 174.047 174.047 173.709 0.338 17551 6037 1 9 . 1 1 71 71 MET CA C 71 54.265 54.265 53.955 0.310 17551 6038 1 9 . 1 1 71 71 MET CB C 71 39.844 39.844 36.957 2.887 17551 6039 1 9 . 1 1 71 71 MET H H 71 8.796 8.796 8.595 0.201 17551 6040 1 9 . 1 1 72 72 GLU N N 72 118.909 118.909 119.897 -0.988 17551 6041 1 9 . 1 1 72 72 GLU HA H 72 5.613 5.613 5.535 0.078 17551 6042 1 9 . 1 1 72 72 GLU C C 72 176.109 176.109 175.312 0.797 17551 6043 1 9 . 1 1 72 72 GLU CA C 72 53.790 53.790 54.930 -1.140 17551 6044 1 9 . 1 1 72 72 GLU CB C 72 33.986 33.986 33.511 0.475 17551 6045 1 9 . 1 1 72 72 GLU H H 72 9.225 9.225 8.814 0.411 17551 6046 1 9 . 1 1 73 73 THR N N 73 109.667 109.667 116.181 -6.514 17551 6047 1 9 . 1 1 73 73 THR HA H 73 4.538 4.538 4.753 -0.215 17551 6048 1 9 . 1 1 73 73 THR C C 73 176.660 176.660 176.020 0.640 17551 6049 1 9 . 1 1 73 73 THR CA C 73 59.666 59.666 60.318 -0.652 17551 6050 1 9 . 1 1 73 73 THR CB C 73 69.710 69.710 70.541 -0.831 17551 6051 1 9 . 1 1 73 73 THR H H 73 8.904 8.904 8.513 0.391 17551 6052 1 9 . 1 1 74 74 MET N N 74 117.519 117.519 119.307 -1.788 17551 6053 1 9 . 1 1 74 74 MET HA H 74 4.776 4.776 4.332 0.444 17551 6054 1 9 . 1 1 74 74 MET C C 74 176.641 176.641 177.215 -0.574 17551 6055 1 9 . 1 1 74 74 MET CA C 74 58.631 58.631 58.077 0.555 17551 6056 1 9 . 1 1 74 74 MET H H 74 8.206 8.206 8.553 -0.347 17551 6057 1 9 . 1 1 75 75 GLY N N 75 103.810 103.810 103.699 0.111 17551 6058 1 9 . 1 1 75 75 GLY C C 75 173.956 173.956 174.950 -0.994 17551 6059 1 9 . 1 1 75 75 GLY CA C 75 43.728 43.728 44.645 -0.917 17551 6060 1 9 . 1 1 75 75 GLY H H 75 8.067 8.067 7.581 0.486 17551 6061 1 9 . 1 1 76 76 GLY N N 76 108.498 108.498 109.265 -0.767 17551 6062 1 9 . 1 1 76 76 GLY C C 76 173.267 173.267 173.958 -0.691 17551 6063 1 9 . 1 1 76 76 GLY CA C 76 44.563 44.563 44.722 -0.159 17551 6064 1 9 . 1 1 76 76 GLY H H 76 7.702 7.702 7.676 0.026 17551 6065 1 9 . 1 1 77 77 ARG N N 77 121.161 121.161 120.029 1.132 17551 6066 1 9 . 1 1 77 77 ARG HA H 77 4.348 4.348 4.600 -0.252 17551 6067 1 9 . 1 1 77 77 ARG C C 77 176.083 176.083 175.412 0.671 17551 6068 1 9 . 1 1 77 77 ARG CA C 77 55.350 55.350 54.448 0.902 17551 6069 1 9 . 1 1 77 77 ARG CB C 77 30.904 30.904 32.155 -1.251 17551 6070 1 9 . 1 1 77 77 ARG H H 77 7.328 7.328 7.666 -0.338 17551 6071 1 9 . 1 1 78 78 LYS N N 78 126.790 126.790 125.573 1.217 17551 6072 1 9 . 1 1 78 78 LYS HA H 78 5.147 5.147 4.719 0.428 17551 6073 1 9 . 1 1 78 78 LYS C C 78 176.961 176.961 176.116 0.845 17551 6074 1 9 . 1 1 78 78 LYS CA C 78 55.487 55.487 55.756 -0.269 17551 6075 1 9 . 1 1 78 78 LYS CB C 78 32.769 32.769 32.467 0.302 17551 6076 1 9 . 1 1 78 78 LYS H H 78 8.771 8.771 8.754 0.017 17551 6077 1 9 . 1 1 79 79 PHE N N 79 119.480 119.480 122.107 -2.627 17551 6078 1 9 . 1 1 79 79 PHE HA H 79 4.898 4.898 4.984 -0.086 17551 6079 1 9 . 1 1 79 79 PHE C C 79 171.587 171.587 173.277 -1.690 17551 6080 1 9 . 1 1 79 79 PHE CA C 79 55.817 55.817 56.602 -0.785 17551 6081 1 9 . 1 1 79 79 PHE CB C 79 40.702 40.702 41.078 -0.376 17551 6082 1 9 . 1 1 79 79 PHE H H 79 8.794 8.794 8.437 0.357 17551 6083 1 9 . 1 1 80 80 LYS N N 80 119.760 119.760 119.332 0.428 17551 6084 1 9 . 1 1 80 80 LYS HA H 80 5.460 5.460 5.337 0.123 17551 6085 1 9 . 1 1 80 80 LYS C C 80 176.538 176.538 175.361 1.177 17551 6086 1 9 . 1 1 80 80 LYS CA C 80 53.988 53.988 55.338 -1.350 17551 6087 1 9 . 1 1 80 80 LYS CB C 80 35.754 35.754 36.210 -0.456 17551 6088 1 9 . 1 1 80 80 LYS H H 80 8.414 8.414 8.449 -0.035 17551 6089 1 9 . 1 1 81 81 ALA N N 81 121.171 121.171 125.861 -4.690 17551 6090 1 9 . 1 1 81 81 ALA HA H 81 4.738 4.738 4.609 0.129 17551 6091 1 9 . 1 1 81 81 ALA C C 81 175.290 175.290 174.998 0.292 17551 6092 1 9 . 1 1 81 81 ALA CA C 81 51.262 51.262 51.133 0.129 17551 6093 1 9 . 1 1 81 81 ALA CB C 81 22.568 22.568 22.076 0.492 17551 6094 1 9 . 1 1 81 81 ALA H H 81 8.525 8.525 8.757 -0.232 17551 6095 1 9 . 1 1 82 82 THR N N 82 117.970 117.970 116.596 1.374 17551 6096 1 9 . 1 1 82 82 THR HA H 82 4.292 4.292 4.682 -0.390 17551 6097 1 9 . 1 1 82 82 THR C C 82 172.556 172.556 173.700 -1.144 17551 6098 1 9 . 1 1 82 82 THR CA C 82 61.640 61.640 61.725 -0.085 17551 6099 1 9 . 1 1 82 82 THR CB C 82 68.485 68.485 69.257 -0.772 17551 6100 1 9 . 1 1 82 82 THR H H 82 8.448 8.448 8.430 0.018 17551 6101 1 9 . 1 1 83 83 VAL N N 83 131.564 131.564 125.574 5.990 17551 6102 1 9 . 1 1 83 83 VAL HA H 83 3.784 3.784 4.611 -0.827 17551 6103 1 9 . 1 1 83 83 VAL C C 83 174.167 174.167 174.874 -0.707 17551 6104 1 9 . 1 1 83 83 VAL CA C 83 62.059 62.059 60.456 1.603 17551 6105 1 9 . 1 1 83 83 VAL CB C 83 31.076 31.076 33.341 -2.265 17551 6106 1 9 . 1 1 83 83 VAL H H 83 9.722 9.722 7.898 1.824 17551 6107 1 9 . 1 1 84 84 LYS N N 84 125.930 125.930 122.590 3.340 17551 6108 1 9 . 1 1 84 84 LYS HA H 84 4.851 4.851 4.796 0.055 17551 6109 1 9 . 1 1 84 84 LYS C C 84 175.025 175.025 174.607 0.418 17551 6110 1 9 . 1 1 84 84 LYS CA C 84 54.213 54.213 54.376 -0.162 17551 6111 1 9 . 1 1 84 84 LYS CB C 84 35.076 35.076 35.936 -0.860 17551 6112 1 9 . 1 1 84 84 LYS H H 84 8.541 8.541 9.045 -0.504 17551 6113 1 9 . 1 1 85 85 MET N N 85 119.366 119.366 119.865 -0.499 17551 6114 1 9 . 1 1 85 85 MET HA H 85 5.517 5.517 5.130 0.387 17551 6115 1 9 . 1 1 85 85 MET C C 85 175.698 175.698 175.488 0.210 17551 6116 1 9 . 1 1 85 85 MET CA C 85 54.256 54.256 54.455 -0.199 17551 6117 1 9 . 1 1 85 85 MET CB C 85 35.406 35.406 36.775 -1.369 17551 6118 1 9 . 1 1 85 85 MET H H 85 8.992 8.992 8.646 0.346 17551 6119 1 9 . 1 1 86 86 GLU N N 86 125.741 125.741 124.681 1.060 17551 6120 1 9 . 1 1 86 86 GLU HA H 86 4.654 4.654 4.504 0.150 17551 6121 1 9 . 1 1 86 86 GLU C C 86 177.223 177.223 176.513 0.710 17551 6122 1 9 . 1 1 86 86 GLU CA C 86 54.213 54.213 55.509 -1.296 17551 6123 1 9 . 1 1 86 86 GLU CB C 86 31.578 31.578 28.740 2.838 17551 6124 1 9 . 1 1 86 86 GLU H H 86 9.063 9.063 9.168 -0.105 17551 6125 1 9 . 1 1 87 87 GLY N N 87 117.720 117.720 112.235 5.485 17551 6126 1 9 . 1 1 87 87 GLY C C 87 175.275 175.275 174.995 0.280 17551 6127 1 9 . 1 1 87 87 GLY CA C 87 46.902 46.902 44.857 2.045 17551 6128 1 9 . 1 1 87 87 GLY H H 87 9.300 9.300 8.854 0.446 17551 6129 1 9 . 1 1 88 88 GLY N N 88 109.070 109.070 105.437 3.633 17551 6130 1 9 . 1 1 88 88 GLY C C 88 172.863 172.863 173.127 -0.264 17551 6131 1 9 . 1 1 88 88 GLY CA C 88 44.853 44.853 45.183 -0.330 17551 6132 1 9 . 1 1 88 88 GLY H H 88 8.739 8.739 8.618 0.121 17551 6133 1 9 . 1 1 89 89 LYS N N 89 120.150 120.150 118.684 1.466 17551 6134 1 9 . 1 1 89 89 LYS HA H 89 5.113 5.113 5.205 -0.092 17551 6135 1 9 . 1 1 89 89 LYS C C 89 175.487 175.487 175.743 -0.256 17551 6136 1 9 . 1 1 89 89 LYS CA C 89 54.363 54.363 54.584 -0.221 17551 6137 1 9 . 1 1 89 89 LYS CB C 89 33.753 33.753 34.319 -0.566 17551 6138 1 9 . 1 1 89 89 LYS H H 89 7.853 7.853 7.713 0.140 17551 6139 1 9 . 1 1 90 90 ILE N N 90 124.537 124.537 126.521 -1.984 17551 6140 1 9 . 1 1 90 90 ILE HA H 90 4.489 4.489 4.340 0.149 17551 6141 1 9 . 1 1 90 90 ILE C C 90 175.679 175.679 174.825 0.854 17551 6142 1 9 . 1 1 90 90 ILE CA C 90 60.930 60.930 61.720 -0.790 17551 6143 1 9 . 1 1 90 90 ILE CB C 90 38.367 38.367 37.537 0.830 17551 6144 1 9 . 1 1 90 90 ILE H H 90 9.081 9.081 8.646 0.435 17551 6145 1 9 . 1 1 91 91 VAL N N 91 124.871 124.871 128.647 -3.776 17551 6146 1 9 . 1 1 91 91 VAL HA H 91 4.591 4.591 5.298 -0.707 17551 6147 1 9 . 1 1 91 91 VAL C C 91 173.890 173.890 173.156 0.734 17551 6148 1 9 . 1 1 91 91 VAL CA C 91 60.743 60.743 59.158 1.585 17551 6149 1 9 . 1 1 91 91 VAL CB C 91 35.279 35.279 36.504 -1.225 17551 6150 1 9 . 1 1 91 91 VAL H H 91 8.786 8.786 8.859 -0.073 17551 6151 1 9 . 1 1 92 92 ALA N N 92 129.590 129.590 130.392 -0.802 17551 6152 1 9 . 1 1 92 92 ALA HA H 92 4.563 4.563 4.657 -0.094 17551 6153 1 9 . 1 1 92 92 ALA C C 92 173.855 173.855 174.994 -1.139 17551 6154 1 9 . 1 1 92 92 ALA CA C 92 49.864 49.864 49.705 0.160 17551 6155 1 9 . 1 1 92 92 ALA CB C 92 21.948 21.948 22.173 -0.225 17551 6156 1 9 . 1 1 92 92 ALA H H 92 9.228 9.228 9.001 0.227 17551 6157 1 9 . 1 1 93 93 ASP N N 93 121.654 121.654 123.485 -1.831 17551 6158 1 9 . 1 1 93 93 ASP HA H 93 5.342 5.342 4.720 0.622 17551 6159 1 9 . 1 1 93 93 ASP C C 93 173.521 173.521 174.578 -1.057 17551 6160 1 9 . 1 1 93 93 ASP CA C 93 53.658 53.658 53.828 -0.170 17551 6161 1 9 . 1 1 93 93 ASP CB C 93 44.462 44.462 42.130 2.332 17551 6162 1 9 . 1 1 93 93 ASP H H 93 8.326 8.326 7.670 0.656 17551 6163 1 9 . 1 1 94 94 PHE N N 94 122.296 122.296 123.605 -1.309 17551 6164 1 9 . 1 1 94 94 PHE HA H 94 5.024 5.024 4.851 0.173 17551 6165 1 9 . 1 1 94 94 PHE CA C 94 53.952 53.952 55.442 -1.490 17551 6166 1 9 . 1 1 94 94 PHE CB C 94 38.958 38.958 42.526 -3.568 17551 6167 1 9 . 1 1 94 94 PHE H H 94 8.776 8.776 8.010 0.766 17551 6168 1 9 . 1 1 95 95 PRO HA H 95 4.396 4.396 4.431 -0.035 17551 6169 1 9 . 1 1 95 95 PRO C C 95 177.375 177.375 176.961 0.414 17551 6170 1 9 . 1 1 95 95 PRO CA C 95 64.386 64.386 63.875 0.511 17551 6171 1 9 . 1 1 95 95 PRO CB C 95 30.432 30.432 31.050 -0.618 17551 6172 1 9 . 1 1 96 96 ASN N N 96 120.924 120.924 118.989 1.935 17551 6173 1 9 . 1 1 96 96 ASN HA H 96 4.619 4.619 4.302 0.317 17551 6174 1 9 . 1 1 96 96 ASN C C 96 174.189 174.189 173.264 0.925 17551 6175 1 9 . 1 1 96 96 ASN CA C 96 53.442 53.442 54.416 -0.974 17551 6176 1 9 . 1 1 96 96 ASN CB C 96 38.069 38.069 38.237 -0.168 17551 6177 1 9 . 1 1 96 96 ASN H H 96 9.183 9.183 9.008 0.175 17551 6178 1 9 . 1 1 97 97 TYR N N 97 120.943 120.943 119.300 1.643 17551 6179 1 9 . 1 1 97 97 TYR HA H 97 4.804 4.804 5.762 -0.958 17551 6180 1 9 . 1 1 97 97 TYR C C 97 172.713 172.713 173.718 -1.005 17551 6181 1 9 . 1 1 97 97 TYR CA C 97 59.314 59.314 56.937 2.377 17551 6182 1 9 . 1 1 97 97 TYR CB C 97 40.512 40.512 41.283 -0.771 17551 6183 1 9 . 1 1 97 97 TYR H H 97 8.066 8.066 7.618 0.448 17551 6184 1 9 . 1 1 98 98 HIS N N 98 128.370 128.370 128.068 0.302 17551 6185 1 9 . 1 1 98 98 HIS HA H 98 5.466 5.466 5.246 0.220 17551 6186 1 9 . 1 1 98 98 HIS C C 98 172.821 172.821 173.649 -0.828 17551 6187 1 9 . 1 1 98 98 HIS CA C 98 54.311 54.311 55.008 -0.697 17551 6188 1 9 . 1 1 98 98 HIS CB C 98 31.053 31.053 32.083 -1.030 17551 6189 1 9 . 1 1 98 98 HIS H H 98 8.786 8.786 8.864 -0.078 17551 6190 1 9 . 1 1 99 99 HIS N N 99 130.146 130.146 129.090 1.056 17551 6191 1 9 . 1 1 99 99 HIS HA H 99 5.689 5.689 5.790 -0.101 17551 6192 1 9 . 1 1 99 99 HIS C C 99 173.405 173.405 174.321 -0.916 17551 6193 1 9 . 1 1 99 99 HIS CA C 99 55.101 55.101 54.044 1.057 17551 6194 1 9 . 1 1 99 99 HIS CB C 99 34.888 34.888 32.142 2.746 17551 6195 1 9 . 1 1 99 99 HIS H H 99 8.963 8.963 8.465 0.498 17551 6196 1 9 . 1 1 100 100 THR N N 100 117.843 117.843 120.250 -2.407 17551 6197 1 9 . 1 1 100 100 THR HA H 100 5.597 5.597 5.531 0.066 17551 6198 1 9 . 1 1 100 100 THR C C 100 172.563 172.563 172.824 -0.261 17551 6199 1 9 . 1 1 100 100 THR CA C 100 57.863 57.863 59.748 -1.885 17551 6200 1 9 . 1 1 100 100 THR CB C 100 71.830 71.830 71.356 0.474 17551 6201 1 9 . 1 1 100 100 THR H H 100 8.871 8.871 8.923 -0.052 17551 6202 1 9 . 1 1 101 101 ALA N N 101 121.591 121.591 127.083 -5.492 17551 6203 1 9 . 1 1 101 101 ALA HA H 101 5.318 5.318 5.286 0.032 17551 6204 1 9 . 1 1 101 101 ALA C C 101 175.540 175.540 175.311 0.229 17551 6205 1 9 . 1 1 101 101 ALA CA C 101 50.320 50.320 50.246 0.074 17551 6206 1 9 . 1 1 101 101 ALA CB C 101 22.819 22.819 21.705 1.114 17551 6207 1 9 . 1 1 101 101 ALA H H 101 8.825 8.825 9.158 -0.333 17551 6208 1 9 . 1 1 102 102 GLU N N 102 118.491 118.491 120.915 -2.424 17551 6209 1 9 . 1 1 102 102 GLU HA H 102 5.194 5.194 5.056 0.138 17551 6210 1 9 . 1 1 102 102 GLU C C 102 172.497 172.497 174.294 -1.797 17551 6211 1 9 . 1 1 102 102 GLU CA C 102 53.879 53.879 54.293 -0.414 17551 6212 1 9 . 1 1 102 102 GLU H H 102 8.785 8.785 8.305 0.480 17551 6213 1 9 . 1 1 103 103 ILE N N 103 121.813 121.813 120.726 1.087 17551 6214 1 9 . 1 1 103 103 ILE HA H 103 5.129 5.129 5.049 0.080 17551 6215 1 9 . 1 1 103 103 ILE C C 103 177.119 177.119 175.795 1.324 17551 6216 1 9 . 1 1 103 103 ILE CA C 103 56.631 56.631 59.196 -2.565 17551 6217 1 9 . 1 1 103 103 ILE CB C 103 34.564 34.564 37.136 -2.572 17551 6218 1 9 . 1 1 103 103 ILE H H 103 8.442 8.442 8.617 -0.175 17551 6219 1 9 . 1 1 104 104 SER N N 104 122.295 122.295 124.010 -1.715 17551 6220 1 9 . 1 1 104 104 SER HA H 104 4.783 4.783 4.615 0.168 17551 6221 1 9 . 1 1 104 104 SER CA C 104 55.521 55.521 57.618 -2.097 17551 6222 1 9 . 1 1 104 104 SER CB C 104 63.426 63.426 63.771 -0.345 17551 6223 1 9 . 1 1 104 104 SER H H 104 9.119 9.119 8.990 0.129 17551 6224 1 9 . 1 1 105 105 GLY C C 105 175.730 175.730 175.031 0.699 17551 6225 1 9 . 1 1 105 105 GLY CA C 105 46.925 46.925 44.744 2.181 17551 6226 1 9 . 1 1 106 106 GLY N N 106 105.123 105.123 105.306 -0.183 17551 6227 1 9 . 1 1 106 106 GLY C C 106 173.229 173.229 173.745 -0.516 17551 6228 1 9 . 1 1 106 106 GLY CA C 106 44.771 44.771 45.105 -0.334 17551 6229 1 9 . 1 1 106 106 GLY H H 106 8.476 8.476 8.259 0.217 17551 6230 1 9 . 1 1 107 107 LYS N N 107 119.187 119.187 117.724 1.463 17551 6231 1 9 . 1 1 107 107 LYS HA H 107 4.856 4.856 4.780 0.076 17551 6232 1 9 . 1 1 107 107 LYS C C 107 174.072 174.072 174.368 -0.296 17551 6233 1 9 . 1 1 107 107 LYS CA C 107 54.240 54.240 54.484 -0.244 17551 6234 1 9 . 1 1 107 107 LYS CB C 107 34.508 34.508 35.393 -0.885 17551 6235 1 9 . 1 1 107 107 LYS H H 107 7.639 7.639 7.325 0.314 17551 6236 1 9 . 1 1 108 108 LEU N N 108 122.725 122.725 126.268 -3.543 17551 6237 1 9 . 1 1 108 108 LEU HA H 108 4.793 4.793 5.064 -0.271 17551 6238 1 9 . 1 1 108 108 LEU C C 108 174.906 174.906 174.716 0.190 17551 6239 1 9 . 1 1 108 108 LEU CA C 108 54.275 54.275 53.593 0.682 17551 6240 1 9 . 1 1 108 108 LEU CB C 108 42.801 42.801 42.279 0.522 17551 6241 1 9 . 1 1 108 108 LEU H H 108 8.481 8.481 8.665 -0.184 17551 6242 1 9 . 1 1 109 109 VAL N N 109 130.844 130.844 128.281 2.563 17551 6243 1 9 . 1 1 109 109 VAL HA H 109 4.953 4.953 4.800 0.153 17551 6244 1 9 . 1 1 109 109 VAL C C 109 176.004 176.004 174.300 1.704 17551 6245 1 9 . 1 1 109 109 VAL CA C 109 61.541 61.541 59.475 2.066 17551 6246 1 9 . 1 1 109 109 VAL CB C 109 32.721 32.721 33.495 -0.774 17551 6247 1 9 . 1 1 109 109 VAL H H 109 9.391 9.391 8.683 0.708 17551 6248 1 9 . 1 1 110 110 GLU N N 110 130.618 130.618 129.961 0.657 17551 6249 1 9 . 1 1 110 110 GLU HA H 110 5.393 5.393 5.237 0.156 17551 6250 1 9 . 1 1 110 110 GLU C C 110 175.537 175.537 175.398 0.139 17551 6251 1 9 . 1 1 110 110 GLU CA C 110 53.476 53.476 54.895 -1.419 17551 6252 1 9 . 1 1 110 110 GLU H H 110 9.386 9.386 8.174 1.212 17551 6253 1 9 . 1 1 111 111 ILE N N 111 126.952 126.952 126.496 0.456 17551 6254 1 9 . 1 1 111 111 ILE HA H 111 4.910 4.910 4.779 0.131 17551 6255 1 9 . 1 1 111 111 ILE C C 111 175.156 175.156 174.833 0.323 17551 6256 1 9 . 1 1 111 111 ILE CA C 111 59.562 59.562 59.840 -0.278 17551 6257 1 9 . 1 1 111 111 ILE CB C 111 39.029 39.029 40.578 -1.549 17551 6258 1 9 . 1 1 111 111 ILE H H 111 8.912 8.912 9.101 -0.189 17551 6259 1 9 . 1 1 112 112 SER N N 112 125.389 125.389 124.368 1.021 17551 6260 1 9 . 1 1 112 112 SER HA H 112 5.524 5.524 5.350 0.174 17551 6261 1 9 . 1 1 112 112 SER C C 112 172.120 172.120 173.572 -1.452 17551 6262 1 9 . 1 1 112 112 SER CA C 112 55.756 55.756 56.112 -0.356 17551 6263 1 9 . 1 1 112 112 SER CB C 112 64.025 64.025 64.189 -0.164 17551 6264 1 9 . 1 1 112 112 SER H H 112 9.495 9.495 9.039 0.456 17551 6265 1 9 . 1 1 113 113 THR N N 113 119.329 119.329 124.064 -4.735 17551 6266 1 9 . 1 1 113 113 THR HA H 113 5.633 5.633 5.233 0.400 17551 6267 1 9 . 1 1 113 113 THR C C 113 174.911 174.911 174.223 0.688 17551 6268 1 9 . 1 1 113 113 THR CA C 113 60.362 60.362 61.315 -0.953 17551 6269 1 9 . 1 1 113 113 THR CB C 113 70.377 70.377 69.791 0.586 17551 6270 1 9 . 1 1 113 113 THR H H 113 9.274 9.274 8.965 0.309 17551 6271 1 9 . 1 1 114 114 SER N N 114 121.027 121.027 122.611 -1.584 17551 6272 1 9 . 1 1 114 114 SER HA H 114 4.479 4.479 5.393 -0.914 17551 6273 1 9 . 1 1 114 114 SER C C 114 174.507 174.507 174.206 0.301 17551 6274 1 9 . 1 1 114 114 SER CA C 114 57.423 57.423 57.446 -0.023 17551 6275 1 9 . 1 1 114 114 SER CB C 114 64.798 64.798 65.024 -0.226 17551 6276 1 9 . 1 1 114 114 SER H H 114 8.657 8.657 8.803 -0.147 17551 6277 1 9 . 1 1 115 115 SER N N 115 122.405 122.405 121.920 0.485 17551 6278 1 9 . 1 1 115 115 SER HA H 115 4.092 4.092 4.140 -0.048 17551 6279 1 9 . 1 1 115 115 SER C C 115 174.387 174.387 174.616 -0.229 17551 6280 1 9 . 1 1 115 115 SER CA C 115 58.417 58.417 59.624 -1.208 17551 6281 1 9 . 1 1 115 115 SER CB C 115 61.860 61.860 61.664 0.196 17551 6282 1 9 . 1 1 115 115 SER H H 115 9.265 9.265 8.885 0.380 17551 6283 1 9 . 1 1 116 116 GLY N N 116 103.741 103.741 103.774 -0.033 17551 6284 1 9 . 1 1 116 116 GLY C C 116 173.618 173.618 174.176 -0.558 17551 6285 1 9 . 1 1 116 116 GLY CA C 116 44.584 44.584 44.698 -0.114 17551 6286 1 9 . 1 1 116 116 GLY H H 116 8.730 8.730 8.340 0.390 17551 6287 1 9 . 1 1 117 117 VAL N N 117 123.819 123.819 123.987 -0.168 17551 6288 1 9 . 1 1 117 117 VAL HA H 117 4.242 4.242 4.032 0.210 17551 6289 1 9 . 1 1 117 117 VAL C C 117 173.712 173.712 175.131 -1.419 17551 6290 1 9 . 1 1 117 117 VAL CA C 117 61.946 61.946 62.809 -0.864 17551 6291 1 9 . 1 1 117 117 VAL CB C 117 32.244 32.244 32.437 -0.193 17551 6292 1 9 . 1 1 117 117 VAL H H 117 8.177 8.177 7.703 0.474 17551 6293 1 9 . 1 1 118 118 VAL N N 118 127.074 127.074 128.359 -1.285 17551 6294 1 9 . 1 1 118 118 VAL HA H 118 4.519 4.519 4.189 0.330 17551 6295 1 9 . 1 1 118 118 VAL C C 118 174.793 174.793 174.948 -0.155 17551 6296 1 9 . 1 1 118 118 VAL CA C 118 61.227 61.227 61.526 -0.299 17551 6297 1 9 . 1 1 118 118 VAL CB C 118 32.503 32.503 31.872 0.631 17551 6298 1 9 . 1 1 118 118 VAL H H 118 8.441 8.441 8.588 -0.147 17551 6299 1 9 . 1 1 119 119 TYR N N 119 131.178 131.178 131.227 -0.049 17551 6300 1 9 . 1 1 119 119 TYR HA H 119 5.095 5.095 4.808 0.287 17551 6301 1 9 . 1 1 119 119 TYR C C 119 173.029 173.029 173.608 -0.579 17551 6302 1 9 . 1 1 119 119 TYR CA C 119 54.862 54.862 56.096 -1.234 17551 6303 1 9 . 1 1 119 119 TYR CB C 119 40.213 40.213 39.665 0.548 17551 6304 1 9 . 1 1 119 119 TYR H H 119 9.315 9.315 9.076 0.239 17551 6305 1 9 . 1 1 120 120 LYS N N 120 126.654 126.654 128.148 -1.494 17551 6306 1 9 . 1 1 120 120 LYS HA H 120 4.922 4.922 4.906 0.016 17551 6307 1 9 . 1 1 120 120 LYS C C 120 173.813 173.813 174.470 -0.657 17551 6308 1 9 . 1 1 120 120 LYS CA C 120 53.685 53.685 54.238 -0.553 17551 6309 1 9 . 1 1 120 120 LYS CB C 120 36.014 36.014 35.842 0.172 17551 6310 1 9 . 1 1 120 120 LYS H H 120 7.342 7.342 8.417 -1.075 17551 6311 1 9 . 1 1 121 121 ARG N N 121 124.124 124.124 121.970 2.154 17551 6312 1 9 . 1 1 121 121 ARG HA H 121 4.798 4.798 4.651 0.147 17551 6313 1 9 . 1 1 121 121 ARG C C 121 174.874 174.874 174.900 -0.026 17551 6314 1 9 . 1 1 121 121 ARG CB C 121 34.257 34.257 32.303 1.954 17551 6315 1 9 . 1 1 121 121 ARG H H 121 9.087 9.087 8.260 0.827 17551 6316 1 9 . 1 1 122 122 THR N N 122 122.859 122.859 122.289 0.570 17551 6317 1 9 . 1 1 122 122 THR HA H 122 5.224 5.224 4.665 0.559 17551 6318 1 9 . 1 1 122 122 THR C C 122 174.321 174.321 173.872 0.449 17551 6319 1 9 . 1 1 122 122 THR CA C 122 62.177 62.177 62.569 -0.392 17551 6320 1 9 . 1 1 122 122 THR CB C 122 69.459 69.459 69.994 -0.535 17551 6321 1 9 . 1 1 122 122 THR H H 122 9.358 9.358 8.082 1.276 17551 6322 1 9 . 1 1 123 123 SER N N 123 123.389 123.389 121.085 2.304 17551 6323 1 9 . 1 1 123 123 SER HA H 123 5.196 5.196 5.368 -0.172 17551 6324 1 9 . 1 1 123 123 SER C C 123 172.464 172.464 173.474 -1.010 17551 6325 1 9 . 1 1 123 123 SER CA C 123 57.571 57.571 56.911 0.660 17551 6326 1 9 . 1 1 123 123 SER CB C 123 65.697 65.697 66.138 -0.441 17551 6327 1 9 . 1 1 123 123 SER H H 123 9.749 9.749 8.801 0.948 17551 6328 1 9 . 1 1 124 124 LYS N N 124 125.058 125.058 123.302 1.756 17551 6329 1 9 . 1 1 124 124 LYS HA H 124 4.681 4.681 4.487 0.194 17551 6330 1 9 . 1 1 124 124 LYS C C 124 175.141 175.141 175.349 -0.208 17551 6331 1 9 . 1 1 124 124 LYS CA C 124 54.444 54.444 56.062 -1.619 17551 6332 1 9 . 1 1 124 124 LYS CB C 124 33.492 33.492 33.997 -0.505 17551 6333 1 9 . 1 1 124 124 LYS H H 124 8.808 8.808 8.490 0.318 17551 6334 1 9 . 1 1 125 125 LYS N N 125 126.114 126.114 123.059 3.055 17551 6335 1 9 . 1 1 125 125 LYS HA H 125 4.367 4.367 4.543 -0.176 17551 6336 1 9 . 1 1 125 125 LYS C C 125 176.828 176.828 175.872 0.956 17551 6337 1 9 . 1 1 125 125 LYS CA C 125 56.752 56.752 55.487 1.265 17551 6338 1 9 . 1 1 125 125 LYS CB C 125 32.912 32.912 32.529 0.383 17551 6339 1 9 . 1 1 125 125 LYS H H 125 9.215 9.215 8.457 0.758 17551 6340 1 9 . 1 1 126 126 ILE N N 126 125.207 125.207 122.148 3.059 17551 6341 1 9 . 1 1 126 126 ILE HA H 126 4.302 4.302 4.484 -0.182 17551 6342 1 9 . 1 1 126 126 ILE C C 126 175.240 175.240 173.988 1.252 17551 6343 1 9 . 1 1 126 126 ILE CA C 126 60.067 60.067 59.509 0.558 17551 6344 1 9 . 1 1 126 126 ILE CB C 126 38.611 38.611 41.682 -3.071 17551 6345 1 9 . 1 1 126 126 ILE H H 126 8.777 8.777 8.665 0.112 17551 6346 1 10 . 1 1 2 2 PHE N N 2 114.421 114.421 118.540 -4.119 17551 6347 1 10 . 1 1 2 2 PHE HA H 2 4.205 4.205 4.898 -0.693 17551 6348 1 10 . 1 1 2 2 PHE C C 2 177.675 177.675 176.802 0.873 17551 6349 1 10 . 1 1 2 2 PHE CA C 2 59.748 59.748 58.533 1.215 17551 6350 1 10 . 1 1 2 2 PHE CB C 2 41.014 41.014 39.785 1.229 17551 6351 1 10 . 1 1 2 2 PHE H H 2 9.501 9.501 8.658 0.843 17551 6352 1 10 . 1 1 3 3 THR N N 3 118.304 118.304 115.967 2.337 17551 6353 1 10 . 1 1 3 3 THR HA H 3 4.021 4.021 4.444 -0.423 17551 6354 1 10 . 1 1 3 3 THR C C 3 173.811 173.811 174.853 -1.042 17551 6355 1 10 . 1 1 3 3 THR CA C 3 63.646 63.646 64.272 -0.626 17551 6356 1 10 . 1 1 3 3 THR CB C 3 69.230 69.230 69.114 0.116 17551 6357 1 10 . 1 1 3 3 THR H H 3 7.721 7.721 8.229 -0.508 17551 6358 1 10 . 1 1 4 4 GLY N N 4 113.320 113.320 112.655 0.665 17551 6359 1 10 . 1 1 4 4 GLY C C 4 169.382 169.382 172.024 -2.642 17551 6360 1 10 . 1 1 4 4 GLY CA C 4 44.343 44.343 44.543 -0.200 17551 6361 1 10 . 1 1 4 4 GLY H H 4 8.881 8.881 8.480 0.401 17551 6362 1 10 . 1 1 5 5 LYS N N 5 120.330 120.330 120.349 -0.019 17551 6363 1 10 . 1 1 5 5 LYS HA H 5 5.255 5.255 5.089 0.166 17551 6364 1 10 . 1 1 5 5 LYS C C 5 174.306 174.306 174.722 -0.416 17551 6365 1 10 . 1 1 5 5 LYS CA C 5 54.232 54.232 54.511 -0.279 17551 6366 1 10 . 1 1 5 5 LYS CB C 5 35.137 35.137 35.043 0.094 17551 6367 1 10 . 1 1 5 5 LYS H H 5 7.914 7.914 7.979 -0.065 17551 6368 1 10 . 1 1 6 6 TYR N N 6 122.260 122.260 122.565 -0.305 17551 6369 1 10 . 1 1 6 6 TYR HA H 6 5.617 5.617 5.853 -0.236 17551 6370 1 10 . 1 1 6 6 TYR C C 6 174.519 174.519 175.469 -0.950 17551 6371 1 10 . 1 1 6 6 TYR CA C 6 55.158 55.158 56.042 -0.884 17551 6372 1 10 . 1 1 6 6 TYR CB C 6 41.637 41.637 42.348 -0.711 17551 6373 1 10 . 1 1 6 6 TYR H H 6 9.736 9.736 9.054 0.682 17551 6374 1 10 . 1 1 7 7 GLU N N 7 122.025 122.025 121.223 0.802 17551 6375 1 10 . 1 1 7 7 GLU HA H 7 5.096 5.096 5.178 -0.082 17551 6376 1 10 . 1 1 7 7 GLU C C 7 174.888 174.888 175.478 -0.590 17551 6377 1 10 . 1 1 7 7 GLU CA C 7 53.988 53.988 53.876 0.112 17551 6378 1 10 . 1 1 7 7 GLU CB C 7 33.716 33.716 34.479 -0.763 17551 6379 1 10 . 1 1 7 7 GLU H H 7 9.461 9.461 8.758 0.703 17551 6380 1 10 . 1 1 8 8 PHE N N 8 126.529 126.529 124.498 2.031 17551 6381 1 10 . 1 1 8 8 PHE HA H 8 4.599 4.599 4.280 0.319 17551 6382 1 10 . 1 1 8 8 PHE C C 8 172.999 172.999 174.767 -1.768 17551 6383 1 10 . 1 1 8 8 PHE CA C 8 59.847 59.847 59.810 0.037 17551 6384 1 10 . 1 1 8 8 PHE CB C 8 40.687 40.687 39.339 1.348 17551 6385 1 10 . 1 1 8 8 PHE H H 8 7.986 7.986 8.514 -0.528 17551 6386 1 10 . 1 1 9 9 GLU N N 9 129.046 129.046 127.686 1.360 17551 6387 1 10 . 1 1 9 9 GLU HA H 9 4.306 4.306 4.193 0.113 17551 6388 1 10 . 1 1 9 9 GLU C C 9 174.528 174.528 175.407 -0.879 17551 6389 1 10 . 1 1 9 9 GLU CA C 9 56.545 56.545 56.399 0.146 17551 6390 1 10 . 1 1 9 9 GLU CB C 9 32.798 32.798 32.252 0.546 17551 6391 1 10 . 1 1 9 9 GLU H H 9 9.151 9.151 8.427 0.724 17551 6392 1 10 . 1 1 10 10 SER N N 10 111.041 111.041 114.194 -3.153 17551 6393 1 10 . 1 1 10 10 SER HA H 10 4.258 4.258 4.688 -0.430 17551 6394 1 10 . 1 1 10 10 SER C C 10 171.216 171.216 171.995 -0.779 17551 6395 1 10 . 1 1 10 10 SER CA C 10 57.930 57.930 57.614 0.316 17551 6396 1 10 . 1 1 10 10 SER CB C 10 64.720 64.720 66.471 -1.751 17551 6397 1 10 . 1 1 10 10 SER H H 10 7.612 7.612 8.036 -0.424 17551 6398 1 10 . 1 1 11 11 ASP N N 11 118.058 118.058 121.421 -3.363 17551 6399 1 10 . 1 1 11 11 ASP HA H 11 5.500 5.500 5.170 0.330 17551 6400 1 10 . 1 1 11 11 ASP C C 11 174.845 174.845 174.971 -0.126 17551 6401 1 10 . 1 1 11 11 ASP CA C 11 51.633 51.633 53.489 -1.855 17551 6402 1 10 . 1 1 11 11 ASP H H 11 8.632 8.632 8.536 0.096 17551 6403 1 10 . 1 1 12 12 GLU N N 12 117.523 117.523 121.779 -4.256 17551 6404 1 10 . 1 1 12 12 GLU HA H 12 4.782 4.782 4.659 0.123 17551 6405 1 10 . 1 1 12 12 GLU C C 12 175.293 175.293 175.485 -0.192 17551 6406 1 10 . 1 1 12 12 GLU CB C 12 33.450 33.450 33.246 0.204 17551 6407 1 10 . 1 1 12 12 GLU H H 12 8.562 8.562 9.084 -0.522 17551 6408 1 10 . 1 1 13 13 ASN N N 13 118.877 118.877 121.647 -2.770 17551 6409 1 10 . 1 1 13 13 ASN HA H 13 4.742 4.742 4.493 0.249 17551 6410 1 10 . 1 1 13 13 ASN C C 13 175.303 175.303 175.328 -0.025 17551 6411 1 10 . 1 1 13 13 ASN CA C 13 53.373 53.373 54.354 -0.981 17551 6412 1 10 . 1 1 13 13 ASN CB C 13 37.207 37.207 37.898 -0.691 17551 6413 1 10 . 1 1 13 13 ASN H H 13 9.110 9.110 9.113 -0.003 17551 6414 1 10 . 1 1 14 14 TYR N N 14 118.061 118.061 120.193 -2.132 17551 6415 1 10 . 1 1 14 14 TYR HA H 14 4.015 4.015 4.269 -0.254 17551 6416 1 10 . 1 1 14 14 TYR C C 14 176.581 176.581 176.632 -0.051 17551 6417 1 10 . 1 1 14 14 TYR CA C 14 62.797 62.797 62.874 -0.077 17551 6418 1 10 . 1 1 14 14 TYR CB C 14 38.998 38.998 38.656 0.342 17551 6419 1 10 . 1 1 14 14 TYR H H 14 8.731 8.731 8.439 0.292 17551 6420 1 10 . 1 1 15 15 ASP N N 15 115.317 115.317 118.819 -3.502 17551 6421 1 10 . 1 1 15 15 ASP HA H 15 4.112 4.112 4.392 -0.280 17551 6422 1 10 . 1 1 15 15 ASP C C 15 178.333 178.333 178.330 0.003 17551 6423 1 10 . 1 1 15 15 ASP CA C 15 57.819 57.819 59.171 -1.352 17551 6424 1 10 . 1 1 15 15 ASP CB C 15 40.410 40.410 40.262 0.148 17551 6425 1 10 . 1 1 15 15 ASP H H 15 8.316 8.316 8.997 -0.681 17551 6426 1 10 . 1 1 16 16 ASP N N 16 117.774 117.774 119.393 -1.619 17551 6427 1 10 . 1 1 16 16 ASP HA H 16 4.392 4.392 4.434 -0.042 17551 6428 1 10 . 1 1 16 16 ASP C C 16 178.597 178.597 178.090 0.507 17551 6429 1 10 . 1 1 16 16 ASP CA C 16 56.348 56.348 57.518 -1.170 17551 6430 1 10 . 1 1 16 16 ASP CB C 16 39.883 39.883 41.022 -1.139 17551 6431 1 10 . 1 1 16 16 ASP H H 16 8.449 8.449 8.484 -0.035 17551 6432 1 10 . 1 1 17 17 PHE N N 17 120.363 120.363 120.659 -0.296 17551 6433 1 10 . 1 1 17 17 PHE HA H 17 4.068 4.068 4.106 -0.038 17551 6434 1 10 . 1 1 17 17 PHE C C 17 176.755 176.755 176.878 -0.123 17551 6435 1 10 . 1 1 17 17 PHE CA C 17 61.840 61.840 61.398 0.442 17551 6436 1 10 . 1 1 17 17 PHE CB C 17 39.794 39.794 39.175 0.619 17551 6437 1 10 . 1 1 17 17 PHE H H 17 7.931 7.931 7.612 0.319 17551 6438 1 10 . 1 1 18 18 VAL N N 18 110.180 110.180 117.409 -7.229 17551 6439 1 10 . 1 1 18 18 VAL HA H 18 3.595 3.595 3.461 0.134 17551 6440 1 10 . 1 1 18 18 VAL C C 18 178.434 178.434 177.735 0.699 17551 6441 1 10 . 1 1 18 18 VAL CA C 18 64.697 64.697 66.661 -1.964 17551 6442 1 10 . 1 1 18 18 VAL CB C 18 29.602 29.602 31.267 -1.665 17551 6443 1 10 . 1 1 18 18 VAL H H 18 8.294 8.294 8.548 -0.254 17551 6444 1 10 . 1 1 19 19 LYS N N 19 119.749 119.749 118.277 1.472 17551 6445 1 10 . 1 1 19 19 LYS HA H 19 4.108 4.108 4.027 0.081 17551 6446 1 10 . 1 1 19 19 LYS C C 19 179.796 179.796 178.820 0.976 17551 6447 1 10 . 1 1 19 19 LYS CA C 19 58.320 58.320 58.474 -0.153 17551 6448 1 10 . 1 1 19 19 LYS CB C 19 31.918 31.918 32.090 -0.172 17551 6449 1 10 . 1 1 19 19 LYS H H 19 7.382 7.382 8.334 -0.952 17551 6450 1 10 . 1 1 20 20 LYS N N 20 121.187 121.187 119.243 1.944 17551 6451 1 10 . 1 1 20 20 LYS HA H 20 4.071 4.071 4.138 -0.067 17551 6452 1 10 . 1 1 20 20 LYS C C 20 179.071 179.071 178.462 0.609 17551 6453 1 10 . 1 1 20 20 LYS CA C 20 57.347 57.347 57.889 -0.542 17551 6454 1 10 . 1 1 20 20 LYS CB C 20 30.633 30.633 32.177 -1.544 17551 6455 1 10 . 1 1 20 20 LYS H H 20 7.718 7.718 7.137 0.581 17551 6456 1 10 . 1 1 21 21 ILE N N 21 109.363 109.363 112.269 -2.906 17551 6457 1 10 . 1 1 21 21 ILE HA H 21 4.212 4.212 3.968 0.244 17551 6458 1 10 . 1 1 21 21 ILE C C 21 176.366 176.366 176.528 -0.162 17551 6459 1 10 . 1 1 21 21 ILE CA C 21 61.610 61.610 61.558 0.052 17551 6460 1 10 . 1 1 21 21 ILE CB C 21 36.968 36.968 37.788 -0.820 17551 6461 1 10 . 1 1 21 21 ILE H H 21 7.591 7.591 7.643 -0.052 17551 6462 1 10 . 1 1 22 22 GLY N N 22 107.961 107.961 108.802 -0.841 17551 6463 1 10 . 1 1 22 22 GLY C C 22 174.877 174.877 174.729 0.148 17551 6464 1 10 . 1 1 22 22 GLY CA C 22 45.510 45.510 45.196 0.314 17551 6465 1 10 . 1 1 22 22 GLY H H 22 7.260 7.260 7.463 -0.203 17551 6466 1 10 . 1 1 23 23 LEU N N 23 120.597 120.597 122.224 -1.627 17551 6467 1 10 . 1 1 23 23 LEU HA H 23 4.207 4.207 4.473 -0.266 17551 6468 1 10 . 1 1 23 23 LEU CA C 23 52.923 52.923 53.143 -0.220 17551 6469 1 10 . 1 1 23 23 LEU CB C 23 42.241 42.241 42.815 -0.574 17551 6470 1 10 . 1 1 23 23 LEU H H 23 7.314 7.314 7.841 -0.527 17551 6471 1 10 . 1 1 24 24 PRO HA H 24 4.537 4.537 4.516 0.021 17551 6472 1 10 . 1 1 24 24 PRO C C 24 177.702 177.702 177.339 0.363 17551 6473 1 10 . 1 1 24 24 PRO CA C 24 61.891 61.891 62.333 -0.442 17551 6474 1 10 . 1 1 24 24 PRO CB C 24 32.260 32.260 32.635 -0.375 17551 6475 1 10 . 1 1 25 25 ALA N N 25 123.142 123.142 126.384 -3.242 17551 6476 1 10 . 1 1 25 25 ALA HA H 25 3.935 3.935 3.995 -0.060 17551 6477 1 10 . 1 1 25 25 ALA C C 25 179.461 179.461 179.556 -0.095 17551 6478 1 10 . 1 1 25 25 ALA CA C 25 55.314 55.314 55.441 -0.127 17551 6479 1 10 . 1 1 25 25 ALA CB C 25 18.220 18.220 18.474 -0.254 17551 6480 1 10 . 1 1 25 25 ALA H H 25 8.738 8.738 8.682 0.056 17551 6481 1 10 . 1 1 26 26 ASP N N 26 115.440 115.440 117.236 -1.796 17551 6482 1 10 . 1 1 26 26 ASP HA H 26 4.379 4.379 4.402 -0.023 17551 6483 1 10 . 1 1 26 26 ASP C C 26 179.291 179.291 178.601 0.690 17551 6484 1 10 . 1 1 26 26 ASP CA C 26 56.015 56.015 57.366 -1.351 17551 6485 1 10 . 1 1 26 26 ASP CB C 26 38.136 38.136 40.714 -2.578 17551 6486 1 10 . 1 1 26 26 ASP H H 26 8.971 8.971 8.723 0.248 17551 6487 1 10 . 1 1 27 27 LYS N N 27 122.292 122.292 118.460 3.832 17551 6488 1 10 . 1 1 27 27 LYS HA H 27 4.160 4.160 4.289 -0.129 17551 6489 1 10 . 1 1 27 27 LYS C C 27 177.758 177.758 179.044 -1.286 17551 6490 1 10 . 1 1 27 27 LYS CA C 27 58.022 58.022 57.219 0.803 17551 6491 1 10 . 1 1 27 27 LYS CB C 27 31.334 31.334 32.394 -1.060 17551 6492 1 10 . 1 1 27 27 LYS H H 27 7.434 7.434 7.594 -0.160 17551 6493 1 10 . 1 1 28 28 ILE N N 28 119.737 119.737 122.077 -2.340 17551 6494 1 10 . 1 1 28 28 ILE HA H 28 3.586 3.586 3.915 -0.329 17551 6495 1 10 . 1 1 28 28 ILE C C 28 180.386 180.386 178.024 2.362 17551 6496 1 10 . 1 1 28 28 ILE CA C 28 65.027 65.027 65.456 -0.429 17551 6497 1 10 . 1 1 28 28 ILE CB C 28 37.002 37.002 38.055 -1.053 17551 6498 1 10 . 1 1 28 28 ILE H H 28 8.016 8.016 8.586 -0.570 17551 6499 1 10 . 1 1 29 29 GLU N N 29 117.216 117.216 116.813 0.403 17551 6500 1 10 . 1 1 29 29 GLU HA H 29 4.294 4.294 4.189 0.105 17551 6501 1 10 . 1 1 29 29 GLU C C 29 179.024 179.024 178.771 0.253 17551 6502 1 10 . 1 1 29 29 GLU CA C 29 58.139 58.139 58.485 -0.346 17551 6503 1 10 . 1 1 29 29 GLU CB C 29 28.028 28.028 29.453 -1.425 17551 6504 1 10 . 1 1 29 29 GLU H H 29 7.755 7.755 8.276 -0.521 17551 6505 1 10 . 1 1 30 30 MET N N 30 119.183 119.183 120.182 -0.999 17551 6506 1 10 . 1 1 30 30 MET HA H 30 4.194 4.194 4.460 -0.266 17551 6507 1 10 . 1 1 30 30 MET C C 30 177.683 177.683 177.047 0.636 17551 6508 1 10 . 1 1 30 30 MET CA C 30 58.150 58.150 56.414 1.736 17551 6509 1 10 . 1 1 30 30 MET CB C 30 33.162 33.162 33.074 0.088 17551 6510 1 10 . 1 1 30 30 MET H H 30 7.659 7.659 7.555 0.104 17551 6511 1 10 . 1 1 31 31 GLY N N 31 102.603 102.603 105.104 -2.501 17551 6512 1 10 . 1 1 31 31 GLY C C 31 172.264 172.264 173.176 -0.912 17551 6513 1 10 . 1 1 31 31 GLY CA C 31 45.433 45.433 44.725 0.708 17551 6514 1 10 . 1 1 31 31 GLY H H 31 7.839 7.839 8.487 -0.648 17551 6515 1 10 . 1 1 32 32 ARG N N 32 121.453 121.453 119.237 2.216 17551 6516 1 10 . 1 1 32 32 ARG HA H 32 3.072 3.072 3.953 -0.881 17551 6517 1 10 . 1 1 32 32 ARG C C 32 175.932 175.932 174.847 1.085 17551 6518 1 10 . 1 1 32 32 ARG CA C 32 56.894 56.894 55.161 1.733 17551 6519 1 10 . 1 1 32 32 ARG CB C 32 29.004 29.004 30.968 -1.964 17551 6520 1 10 . 1 1 32 32 ARG H H 32 6.954 6.954 7.534 -0.580 17551 6521 1 10 . 1 1 33 33 ASN N N 33 127.905 127.905 116.529 11.376 17551 6522 1 10 . 1 1 33 33 ASN HA H 33 4.066 4.066 4.159 -0.093 17551 6523 1 10 . 1 1 33 33 ASN C C 33 173.939 173.939 174.558 -0.619 17551 6524 1 10 . 1 1 33 33 ASN CA C 33 53.539 53.539 53.855 -0.316 17551 6525 1 10 . 1 1 33 33 ASN CB C 33 37.017 37.017 36.827 0.190 17551 6526 1 10 . 1 1 33 33 ASN H H 33 8.990 8.990 8.457 0.533 17551 6527 1 10 . 1 1 34 34 CYS N N 34 116.649 116.649 117.820 -1.171 17551 6528 1 10 . 1 1 34 34 CYS HA H 34 4.018 4.018 4.431 -0.413 17551 6529 1 10 . 1 1 34 34 CYS C C 34 175.384 175.384 174.617 0.767 17551 6530 1 10 . 1 1 34 34 CYS CA C 34 57.216 57.216 57.484 -0.268 17551 6531 1 10 . 1 1 34 34 CYS CB C 34 27.200 27.200 29.676 -2.476 17551 6532 1 10 . 1 1 34 34 CYS H H 34 7.443 7.443 7.523 -0.080 17551 6533 1 10 . 1 1 35 35 LYS N N 35 130.727 130.727 122.472 8.255 17551 6534 1 10 . 1 1 35 35 LYS HA H 35 4.296 4.296 4.508 -0.212 17551 6535 1 10 . 1 1 35 35 LYS C C 35 175.272 175.272 174.853 0.419 17551 6536 1 10 . 1 1 35 35 LYS CA C 35 55.577 55.577 55.512 0.065 17551 6537 1 10 . 1 1 35 35 LYS CB C 35 29.487 29.487 31.415 -1.928 17551 6538 1 10 . 1 1 35 35 LYS H H 35 8.691 8.691 8.271 0.420 17551 6539 1 10 . 1 1 36 36 ILE N N 36 125.658 125.658 125.221 0.437 17551 6540 1 10 . 1 1 36 36 ILE HA H 36 4.010 4.010 4.577 -0.567 17551 6541 1 10 . 1 1 36 36 ILE C C 36 177.115 177.115 175.777 1.338 17551 6542 1 10 . 1 1 36 36 ILE CA C 36 62.608 62.608 60.463 2.145 17551 6543 1 10 . 1 1 36 36 ILE CB C 36 39.739 39.739 39.709 0.030 17551 6544 1 10 . 1 1 36 36 ILE H H 36 7.658 7.658 7.934 -0.276 17551 6545 1 10 . 1 1 37 37 VAL N N 37 130.730 130.730 127.642 3.088 17551 6546 1 10 . 1 1 37 37 VAL HA H 37 5.105 5.105 5.107 -0.002 17551 6547 1 10 . 1 1 37 37 VAL C C 37 175.295 175.295 176.035 -0.740 17551 6548 1 10 . 1 1 37 37 VAL CA C 37 60.845 60.845 60.710 0.135 17551 6549 1 10 . 1 1 37 37 VAL CB C 37 33.716 33.716 33.049 0.667 17551 6550 1 10 . 1 1 37 37 VAL H H 37 7.909 7.909 8.678 -0.769 17551 6551 1 10 . 1 1 38 38 THR N N 38 127.066 127.066 124.455 2.611 17551 6552 1 10 . 1 1 38 38 THR HA H 38 5.405 5.405 5.452 -0.047 17551 6553 1 10 . 1 1 38 38 THR C C 38 174.035 174.035 174.047 -0.012 17551 6554 1 10 . 1 1 38 38 THR CA C 38 61.303 61.303 61.175 0.128 17551 6555 1 10 . 1 1 38 38 THR CB C 38 70.474 70.474 69.637 0.837 17551 6556 1 10 . 1 1 38 38 THR H H 38 9.393 9.393 9.304 0.089 17551 6557 1 10 . 1 1 39 39 GLU N N 39 126.804 126.804 128.862 -2.058 17551 6558 1 10 . 1 1 39 39 GLU HA H 39 5.216 5.216 4.740 0.476 17551 6559 1 10 . 1 1 39 39 GLU C C 39 174.379 174.379 174.970 -0.591 17551 6560 1 10 . 1 1 39 39 GLU CA C 39 54.232 54.232 55.597 -1.365 17551 6561 1 10 . 1 1 39 39 GLU CB C 39 32.531 32.531 31.216 1.315 17551 6562 1 10 . 1 1 39 39 GLU H H 39 9.728 9.728 8.744 0.984 17551 6563 1 10 . 1 1 40 40 VAL N N 40 125.405 125.405 126.479 -1.074 17551 6564 1 10 . 1 1 40 40 VAL HA H 40 4.859 4.859 5.393 -0.534 17551 6565 1 10 . 1 1 40 40 VAL C C 40 176.139 176.139 175.223 0.916 17551 6566 1 10 . 1 1 40 40 VAL CA C 40 60.091 60.091 60.496 -0.405 17551 6567 1 10 . 1 1 40 40 VAL CB C 40 33.952 33.952 33.399 0.553 17551 6568 1 10 . 1 1 40 40 VAL H H 40 9.326 9.326 8.945 0.381 17551 6569 1 10 . 1 1 41 41 VAL N N 41 127.197 127.197 128.223 -1.026 17551 6570 1 10 . 1 1 41 41 VAL HA H 41 4.144 4.144 4.374 -0.230 17551 6571 1 10 . 1 1 41 41 VAL C C 41 173.604 173.604 174.279 -0.675 17551 6572 1 10 . 1 1 41 41 VAL CA C 41 62.522 62.522 60.265 2.257 17551 6573 1 10 . 1 1 41 41 VAL CB C 41 33.757 33.757 33.362 0.395 17551 6574 1 10 . 1 1 41 41 VAL H H 41 8.811 8.811 8.688 0.123 17551 6575 1 10 . 1 1 42 42 GLN N N 42 130.317 130.317 127.026 3.291 17551 6576 1 10 . 1 1 42 42 GLN HA H 42 4.430 4.430 3.850 0.580 17551 6577 1 10 . 1 1 42 42 GLN C C 42 174.239 174.239 174.935 -0.696 17551 6578 1 10 . 1 1 42 42 GLN CA C 42 52.960 52.960 55.562 -2.602 17551 6579 1 10 . 1 1 42 42 GLN CB C 42 29.877 29.877 28.667 1.210 17551 6580 1 10 . 1 1 42 42 GLN H H 42 8.345 8.345 8.781 -0.436 17551 6581 1 10 . 1 1 43 43 ASN N N 43 125.513 125.513 127.106 -1.593 17551 6582 1 10 . 1 1 43 43 ASN HA H 43 4.826 4.826 4.797 0.029 17551 6583 1 10 . 1 1 43 43 ASN C C 43 175.350 175.350 175.281 0.069 17551 6584 1 10 . 1 1 43 43 ASN CA C 43 51.303 51.303 51.532 -0.229 17551 6585 1 10 . 1 1 43 43 ASN CB C 43 39.051 39.051 37.389 1.662 17551 6586 1 10 . 1 1 43 43 ASN H H 43 8.772 8.772 8.631 0.141 17551 6587 1 10 . 1 1 44 44 GLY N N 44 115.694 115.694 112.079 3.615 17551 6588 1 10 . 1 1 44 44 GLY C C 44 173.199 173.199 174.715 -1.516 17551 6589 1 10 . 1 1 44 44 GLY CA C 44 46.964 46.964 46.923 0.041 17551 6590 1 10 . 1 1 44 44 GLY H H 44 9.187 9.187 8.035 1.152 17551 6591 1 10 . 1 1 45 45 ASN N N 45 125.520 125.520 123.840 1.680 17551 6592 1 10 . 1 1 45 45 ASN HA H 45 4.991 4.991 4.895 0.096 17551 6593 1 10 . 1 1 45 45 ASN C C 45 173.822 173.822 173.183 0.639 17551 6594 1 10 . 1 1 45 45 ASN CA C 45 52.215 52.215 52.547 -0.332 17551 6595 1 10 . 1 1 45 45 ASN CB C 45 38.700 38.700 40.041 -1.341 17551 6596 1 10 . 1 1 45 45 ASN H H 45 8.854 8.854 8.332 0.522 17551 6597 1 10 . 1 1 46 46 ASP N N 46 120.842 120.842 120.842 0.000 17551 6598 1 10 . 1 1 46 46 ASP HA H 46 5.185 5.185 5.325 -0.140 17551 6599 1 10 . 1 1 46 46 ASP C C 46 174.705 174.705 174.198 0.507 17551 6600 1 10 . 1 1 46 46 ASP CA C 46 53.658 53.658 53.035 0.623 17551 6601 1 10 . 1 1 46 46 ASP CB C 46 41.025 41.025 41.923 -0.898 17551 6602 1 10 . 1 1 46 46 ASP H H 46 7.921 7.921 7.807 0.114 17551 6603 1 10 . 1 1 47 47 PHE N N 47 121.470 121.470 125.170 -3.700 17551 6604 1 10 . 1 1 47 47 PHE HA H 47 5.161 5.161 5.375 -0.214 17551 6605 1 10 . 1 1 47 47 PHE C C 47 177.125 177.125 175.640 1.485 17551 6606 1 10 . 1 1 47 47 PHE CA C 47 56.591 56.591 55.664 0.926 17551 6607 1 10 . 1 1 47 47 PHE CB C 47 44.035 44.035 41.899 2.136 17551 6608 1 10 . 1 1 47 47 PHE H H 47 9.263 9.263 8.624 0.639 17551 6609 1 10 . 1 1 48 48 THR N N 48 116.950 116.950 115.158 1.792 17551 6610 1 10 . 1 1 48 48 THR HA H 48 4.861 4.861 4.764 0.097 17551 6611 1 10 . 1 1 48 48 THR C C 48 172.499 172.499 173.960 -1.461 17551 6612 1 10 . 1 1 48 48 THR CA C 48 62.943 62.943 61.097 1.846 17551 6613 1 10 . 1 1 48 48 THR CB C 48 70.360 70.360 70.352 0.008 17551 6614 1 10 . 1 1 48 48 THR H H 48 8.831 8.831 8.540 0.291 17551 6615 1 10 . 1 1 49 49 TRP N N 49 132.266 132.266 127.177 5.089 17551 6616 1 10 . 1 1 49 49 TRP HA H 49 4.955 4.955 5.079 -0.124 17551 6617 1 10 . 1 1 49 49 TRP C C 49 175.842 175.842 174.958 0.884 17551 6618 1 10 . 1 1 49 49 TRP CA C 49 57.286 57.286 56.288 0.998 17551 6619 1 10 . 1 1 49 49 TRP CB C 49 31.894 31.894 32.454 -0.560 17551 6620 1 10 . 1 1 49 49 TRP H H 49 9.914 9.914 9.575 0.339 17551 6621 1 10 . 1 1 50 50 THR N N 50 131.707 131.707 123.727 7.980 17551 6622 1 10 . 1 1 50 50 THR HA H 50 5.928 5.928 4.919 1.009 17551 6623 1 10 . 1 1 50 50 THR C C 50 173.408 173.408 173.144 0.264 17551 6624 1 10 . 1 1 50 50 THR CA C 50 60.993 60.993 61.546 -0.553 17551 6625 1 10 . 1 1 50 50 THR CB C 50 70.957 70.957 70.175 0.782 17551 6626 1 10 . 1 1 50 50 THR H H 50 9.524 9.524 8.274 1.250 17551 6627 1 10 . 1 1 51 51 GLN N N 51 124.680 124.680 126.687 -2.007 17551 6628 1 10 . 1 1 51 51 GLN HA H 51 5.056 5.056 5.196 -0.140 17551 6629 1 10 . 1 1 51 51 GLN C C 51 175.328 175.328 174.773 0.555 17551 6630 1 10 . 1 1 51 51 GLN CA C 51 56.309 56.309 54.469 1.840 17551 6631 1 10 . 1 1 51 51 GLN CB C 51 29.046 29.046 30.430 -1.384 17551 6632 1 10 . 1 1 51 51 GLN H H 51 9.456 9.456 9.301 0.155 17551 6633 1 10 . 1 1 52 52 HIS N N 52 122.268 122.268 124.474 -2.206 17551 6634 1 10 . 1 1 52 52 HIS HA H 52 5.051 5.051 4.898 0.153 17551 6635 1 10 . 1 1 52 52 HIS C C 52 174.819 174.819 174.149 0.670 17551 6636 1 10 . 1 1 52 52 HIS CA C 52 54.039 54.039 55.006 -0.967 17551 6637 1 10 . 1 1 52 52 HIS CB C 52 29.432 29.432 32.362 -2.930 17551 6638 1 10 . 1 1 52 52 HIS H H 52 9.534 9.534 9.275 0.259 17551 6639 1 10 . 1 1 53 53 PHE N N 53 129.837 129.837 124.020 5.817 17551 6640 1 10 . 1 1 53 53 PHE HA H 53 4.584 4.584 4.983 -0.399 17551 6641 1 10 . 1 1 53 53 PHE CA C 53 56.312 56.312 54.084 2.228 17551 6642 1 10 . 1 1 53 53 PHE CB C 53 40.660 40.660 42.241 -1.581 17551 6643 1 10 . 1 1 53 53 PHE H H 53 8.641 8.641 8.468 0.173 17551 6644 1 10 . 1 1 54 54 PRO HA H 54 4.291 4.291 4.354 -0.063 17551 6645 1 10 . 1 1 54 54 PRO C C 54 177.389 177.389 176.625 0.764 17551 6646 1 10 . 1 1 54 54 PRO CA C 54 63.569 63.569 63.604 -0.035 17551 6647 1 10 . 1 1 54 54 PRO CB C 54 30.471 30.471 30.857 -0.386 17551 6648 1 10 . 1 1 55 55 GLY N N 55 113.867 113.867 112.981 0.886 17551 6649 1 10 . 1 1 55 55 GLY C C 55 175.164 175.164 174.167 0.997 17551 6650 1 10 . 1 1 55 55 GLY CA C 55 45.258 45.258 45.142 0.116 17551 6651 1 10 . 1 1 55 55 GLY H H 55 8.926 8.926 8.563 0.363 17551 6652 1 10 . 1 1 56 56 GLY N N 56 108.877 108.877 108.172 0.705 17551 6653 1 10 . 1 1 56 56 GLY C C 56 174.054 174.054 172.886 1.168 17551 6654 1 10 . 1 1 56 56 GLY CA C 56 44.534 44.534 44.568 -0.034 17551 6655 1 10 . 1 1 56 56 GLY H H 56 8.426 8.426 7.899 0.527 17551 6656 1 10 . 1 1 57 57 ARG N N 57 123.871 123.871 118.207 5.664 17551 6657 1 10 . 1 1 57 57 ARG HA H 57 4.483 4.483 4.375 0.108 17551 6658 1 10 . 1 1 57 57 ARG C C 57 176.728 176.728 175.615 1.113 17551 6659 1 10 . 1 1 57 57 ARG CA C 57 56.217 56.217 56.102 0.115 17551 6660 1 10 . 1 1 57 57 ARG CB C 57 31.388 31.388 30.403 0.985 17551 6661 1 10 . 1 1 57 57 ARG H H 57 8.474 8.474 8.481 -0.007 17551 6662 1 10 . 1 1 58 58 THR N N 58 122.156 122.156 116.114 6.042 17551 6663 1 10 . 1 1 58 58 THR HA H 58 5.299 5.299 4.885 0.414 17551 6664 1 10 . 1 1 58 58 THR C C 58 174.092 174.092 174.611 -0.519 17551 6665 1 10 . 1 1 58 58 THR CA C 58 62.125 62.125 60.498 1.627 17551 6666 1 10 . 1 1 58 58 THR CB C 58 70.339 70.339 71.198 -0.859 17551 6667 1 10 . 1 1 58 58 THR H H 58 8.818 8.818 8.277 0.541 17551 6668 1 10 . 1 1 59 59 THR N N 59 127.287 127.287 120.412 6.875 17551 6669 1 10 . 1 1 59 59 THR HA H 59 4.505 4.505 4.691 -0.186 17551 6670 1 10 . 1 1 59 59 THR C C 59 172.626 172.626 172.859 -0.233 17551 6671 1 10 . 1 1 59 59 THR CA C 59 62.163 62.163 61.408 0.755 17551 6672 1 10 . 1 1 59 59 THR CB C 59 70.565 70.565 71.505 -0.940 17551 6673 1 10 . 1 1 59 59 THR H H 59 9.281 9.281 8.901 0.380 17551 6674 1 10 . 1 1 60 60 THR N N 60 123.658 123.658 120.853 2.805 17551 6675 1 10 . 1 1 60 60 THR HA H 60 5.105 5.105 5.136 -0.031 17551 6676 1 10 . 1 1 60 60 THR C C 60 172.453 172.453 173.543 -1.090 17551 6677 1 10 . 1 1 60 60 THR CA C 60 61.277 61.277 61.257 0.020 17551 6678 1 10 . 1 1 60 60 THR CB C 60 70.432 70.432 71.390 -0.958 17551 6679 1 10 . 1 1 60 60 THR H H 60 8.952 8.952 8.536 0.416 17551 6680 1 10 . 1 1 61 61 ASN N N 61 124.292 124.292 124.577 -0.285 17551 6681 1 10 . 1 1 61 61 ASN HA H 61 5.384 5.384 4.991 0.393 17551 6682 1 10 . 1 1 61 61 ASN C C 61 173.609 173.609 173.662 -0.053 17551 6683 1 10 . 1 1 61 61 ASN CA C 61 52.190 52.190 52.343 -0.153 17551 6684 1 10 . 1 1 61 61 ASN CB C 61 43.987 43.987 42.128 1.859 17551 6685 1 10 . 1 1 61 61 ASN H H 61 8.848 8.848 8.921 -0.073 17551 6686 1 10 . 1 1 62 62 SER N N 62 118.046 118.046 116.571 1.475 17551 6687 1 10 . 1 1 62 62 SER HA H 62 5.659 5.659 5.107 0.552 17551 6688 1 10 . 1 1 62 62 SER C C 62 172.545 172.545 173.221 -0.676 17551 6689 1 10 . 1 1 62 62 SER CA C 62 56.974 56.974 57.146 -0.172 17551 6690 1 10 . 1 1 62 62 SER CB C 62 64.719 64.719 64.448 0.271 17551 6691 1 10 . 1 1 62 62 SER H H 62 8.986 8.986 8.691 0.295 17551 6692 1 10 . 1 1 63 63 PHE N N 63 118.769 118.769 121.255 -2.486 17551 6693 1 10 . 1 1 63 63 PHE HA H 63 5.016 5.016 5.016 -0.000 17551 6694 1 10 . 1 1 63 63 PHE C C 63 172.500 172.500 173.749 -1.249 17551 6695 1 10 . 1 1 63 63 PHE CA C 63 55.793 55.793 56.226 -0.433 17551 6696 1 10 . 1 1 63 63 PHE CB C 63 39.459 39.459 41.342 -1.883 17551 6697 1 10 . 1 1 63 63 PHE H H 63 8.514 8.514 8.461 0.053 17551 6698 1 10 . 1 1 64 64 THR N N 64 120.318 120.318 118.800 1.518 17551 6699 1 10 . 1 1 64 64 THR HA H 64 5.617 5.617 4.887 0.730 17551 6700 1 10 . 1 1 64 64 THR C C 64 175.240 175.240 174.492 0.748 17551 6701 1 10 . 1 1 64 64 THR CA C 64 60.409 60.409 61.168 -0.759 17551 6702 1 10 . 1 1 64 64 THR CB C 64 71.213 71.213 70.415 0.798 17551 6703 1 10 . 1 1 64 64 THR H H 64 9.743 9.743 8.576 1.167 17551 6704 1 10 . 1 1 65 65 ILE N N 65 127.640 127.640 127.726 -0.086 17551 6705 1 10 . 1 1 65 65 ILE HA H 65 4.089 4.089 3.840 0.249 17551 6706 1 10 . 1 1 65 65 ILE C C 65 176.477 176.477 177.473 -0.996 17551 6707 1 10 . 1 1 65 65 ILE CA C 65 59.299 59.299 62.038 -2.739 17551 6708 1 10 . 1 1 65 65 ILE CB C 65 35.445 35.445 36.245 -0.800 17551 6709 1 10 . 1 1 65 65 ILE H H 65 8.961 8.961 9.196 -0.235 17551 6710 1 10 . 1 1 66 66 ASP N N 66 117.361 117.361 123.705 -6.344 17551 6711 1 10 . 1 1 66 66 ASP HA H 66 4.080 4.080 4.267 -0.187 17551 6712 1 10 . 1 1 66 66 ASP C C 66 174.730 174.730 174.435 0.295 17551 6713 1 10 . 1 1 66 66 ASP CA C 66 57.150 57.150 55.776 1.374 17551 6714 1 10 . 1 1 66 66 ASP CB C 66 38.442 38.442 40.763 -2.321 17551 6715 1 10 . 1 1 66 66 ASP H H 66 9.264 9.264 9.137 0.127 17551 6716 1 10 . 1 1 67 67 LYS N N 67 121.171 121.171 118.775 2.396 17551 6717 1 10 . 1 1 67 67 LYS HA H 67 4.805 4.805 4.618 0.187 17551 6718 1 10 . 1 1 67 67 LYS C C 67 175.115 175.115 174.370 0.745 17551 6719 1 10 . 1 1 67 67 LYS CA C 67 53.900 53.900 54.875 -0.975 17551 6720 1 10 . 1 1 67 67 LYS CB C 67 34.256 34.256 35.220 -0.964 17551 6721 1 10 . 1 1 67 67 LYS H H 67 8.185 8.185 7.904 0.281 17551 6722 1 10 . 1 1 68 68 GLU N N 68 130.373 130.373 122.734 7.639 17551 6723 1 10 . 1 1 68 68 GLU HA H 68 4.194 4.194 4.777 -0.583 17551 6724 1 10 . 1 1 68 68 GLU C C 68 175.449 175.449 175.613 -0.164 17551 6725 1 10 . 1 1 68 68 GLU CA C 68 58.343 58.343 55.921 2.422 17551 6726 1 10 . 1 1 68 68 GLU H H 68 8.879 8.879 8.482 0.397 17551 6727 1 10 . 1 1 69 69 ALA N N 69 130.113 130.113 124.095 6.018 17551 6728 1 10 . 1 1 69 69 ALA HA H 69 4.924 4.924 4.594 0.330 17551 6729 1 10 . 1 1 69 69 ALA C C 69 175.797 175.797 175.144 0.653 17551 6730 1 10 . 1 1 69 69 ALA CA C 69 50.151 50.151 50.708 -0.557 17551 6731 1 10 . 1 1 69 69 ALA CB C 69 22.239 22.239 22.941 -0.702 17551 6732 1 10 . 1 1 69 69 ALA H H 69 8.864 8.864 8.754 0.110 17551 6733 1 10 . 1 1 70 70 ASP N N 70 120.889 120.889 122.574 -1.685 17551 6734 1 10 . 1 1 70 70 ASP HA H 70 4.852 4.852 4.886 -0.034 17551 6735 1 10 . 1 1 70 70 ASP C C 70 175.541 175.541 175.262 0.279 17551 6736 1 10 . 1 1 70 70 ASP CA C 70 54.211 54.211 54.030 0.181 17551 6737 1 10 . 1 1 70 70 ASP CB C 70 41.052 41.052 41.389 -0.337 17551 6738 1 10 . 1 1 70 70 ASP H H 70 8.319 8.319 8.709 -0.390 17551 6739 1 10 . 1 1 71 71 MET N N 71 125.005 125.005 123.029 1.976 17551 6740 1 10 . 1 1 71 71 MET HA H 71 4.743 4.743 4.612 0.131 17551 6741 1 10 . 1 1 71 71 MET C C 71 174.047 174.047 173.507 0.540 17551 6742 1 10 . 1 1 71 71 MET CA C 71 54.265 54.265 54.273 -0.008 17551 6743 1 10 . 1 1 71 71 MET CB C 71 39.844 39.844 36.325 3.519 17551 6744 1 10 . 1 1 71 71 MET H H 71 8.796 8.796 8.515 0.281 17551 6745 1 10 . 1 1 72 72 GLU N N 72 118.909 118.909 120.500 -1.591 17551 6746 1 10 . 1 1 72 72 GLU HA H 72 5.613 5.613 5.681 -0.068 17551 6747 1 10 . 1 1 72 72 GLU C C 72 176.109 176.109 175.042 1.067 17551 6748 1 10 . 1 1 72 72 GLU CA C 72 53.790 53.790 54.253 -0.463 17551 6749 1 10 . 1 1 72 72 GLU CB C 72 33.986 33.986 33.179 0.807 17551 6750 1 10 . 1 1 72 72 GLU H H 72 9.225 9.225 8.180 1.045 17551 6751 1 10 . 1 1 73 73 THR N N 73 109.667 109.667 117.335 -7.668 17551 6752 1 10 . 1 1 73 73 THR HA H 73 4.538 4.538 4.759 -0.221 17551 6753 1 10 . 1 1 73 73 THR C C 73 176.660 176.660 176.180 0.480 17551 6754 1 10 . 1 1 73 73 THR CA C 73 59.666 59.666 60.470 -0.804 17551 6755 1 10 . 1 1 73 73 THR CB C 73 69.710 69.710 70.419 -0.709 17551 6756 1 10 . 1 1 73 73 THR H H 73 8.904 8.904 8.501 0.403 17551 6757 1 10 . 1 1 74 74 MET N N 74 117.519 117.519 118.491 -0.972 17551 6758 1 10 . 1 1 74 74 MET HA H 74 4.776 4.776 4.270 0.506 17551 6759 1 10 . 1 1 74 74 MET C C 74 176.641 176.641 176.974 -0.333 17551 6760 1 10 . 1 1 74 74 MET CA C 74 58.631 58.631 57.895 0.736 17551 6761 1 10 . 1 1 74 74 MET H H 74 8.206 8.206 8.550 -0.344 17551 6762 1 10 . 1 1 75 75 GLY N N 75 103.810 103.810 104.024 -0.214 17551 6763 1 10 . 1 1 75 75 GLY C C 75 173.956 173.956 174.853 -0.897 17551 6764 1 10 . 1 1 75 75 GLY CA C 75 43.728 43.728 44.553 -0.825 17551 6765 1 10 . 1 1 75 75 GLY H H 75 8.067 8.067 7.563 0.504 17551 6766 1 10 . 1 1 76 76 GLY N N 76 108.498 108.498 109.088 -0.590 17551 6767 1 10 . 1 1 76 76 GLY C C 76 173.267 173.267 173.613 -0.346 17551 6768 1 10 . 1 1 76 76 GLY CA C 76 44.563 44.563 44.697 -0.134 17551 6769 1 10 . 1 1 76 76 GLY H H 76 7.702 7.702 7.754 -0.052 17551 6770 1 10 . 1 1 77 77 ARG N N 77 121.161 121.161 120.084 1.077 17551 6771 1 10 . 1 1 77 77 ARG HA H 77 4.348 4.348 4.595 -0.247 17551 6772 1 10 . 1 1 77 77 ARG C C 77 176.083 176.083 175.119 0.964 17551 6773 1 10 . 1 1 77 77 ARG CA C 77 55.350 55.350 54.655 0.695 17551 6774 1 10 . 1 1 77 77 ARG CB C 77 30.904 30.904 32.414 -1.510 17551 6775 1 10 . 1 1 77 77 ARG H H 77 7.328 7.328 7.671 -0.343 17551 6776 1 10 . 1 1 78 78 LYS N N 78 126.790 126.790 125.366 1.424 17551 6777 1 10 . 1 1 78 78 LYS HA H 78 5.147 5.147 5.080 0.067 17551 6778 1 10 . 1 1 78 78 LYS C C 78 176.961 176.961 176.127 0.834 17551 6779 1 10 . 1 1 78 78 LYS CA C 78 55.487 55.487 55.381 0.106 17551 6780 1 10 . 1 1 78 78 LYS CB C 78 32.769 32.769 32.760 0.009 17551 6781 1 10 . 1 1 78 78 LYS H H 78 8.771 8.771 8.734 0.037 17551 6782 1 10 . 1 1 79 79 PHE N N 79 119.480 119.480 121.975 -2.495 17551 6783 1 10 . 1 1 79 79 PHE HA H 79 4.898 4.898 5.009 -0.111 17551 6784 1 10 . 1 1 79 79 PHE C C 79 171.587 171.587 173.366 -1.779 17551 6785 1 10 . 1 1 79 79 PHE CA C 79 55.817 55.817 56.359 -0.542 17551 6786 1 10 . 1 1 79 79 PHE CB C 79 40.702 40.702 41.606 -0.904 17551 6787 1 10 . 1 1 79 79 PHE H H 79 8.794 8.794 8.386 0.408 17551 6788 1 10 . 1 1 80 80 LYS N N 80 119.760 119.760 119.821 -0.061 17551 6789 1 10 . 1 1 80 80 LYS HA H 80 5.460 5.460 5.543 -0.083 17551 6790 1 10 . 1 1 80 80 LYS C C 80 176.538 176.538 175.599 0.939 17551 6791 1 10 . 1 1 80 80 LYS CA C 80 53.988 53.988 55.133 -1.145 17551 6792 1 10 . 1 1 80 80 LYS CB C 80 35.754 35.754 35.766 -0.012 17551 6793 1 10 . 1 1 80 80 LYS H H 80 8.414 8.414 8.459 -0.045 17551 6794 1 10 . 1 1 81 81 ALA N N 81 121.171 121.171 126.901 -5.730 17551 6795 1 10 . 1 1 81 81 ALA HA H 81 4.738 4.738 4.551 0.186 17551 6796 1 10 . 1 1 81 81 ALA C C 81 175.290 175.290 175.312 -0.022 17551 6797 1 10 . 1 1 81 81 ALA CA C 81 51.262 51.262 50.855 0.407 17551 6798 1 10 . 1 1 81 81 ALA CB C 81 22.568 22.568 21.765 0.803 17551 6799 1 10 . 1 1 81 81 ALA H H 81 8.525 8.525 8.626 -0.101 17551 6800 1 10 . 1 1 82 82 THR N N 82 117.970 117.970 116.804 1.166 17551 6801 1 10 . 1 1 82 82 THR HA H 82 4.292 4.292 4.744 -0.452 17551 6802 1 10 . 1 1 82 82 THR C C 82 172.556 172.556 173.880 -1.324 17551 6803 1 10 . 1 1 82 82 THR CA C 82 61.640 61.640 61.798 -0.158 17551 6804 1 10 . 1 1 82 82 THR CB C 82 68.485 68.485 69.179 -0.694 17551 6805 1 10 . 1 1 82 82 THR H H 82 8.448 8.448 8.463 -0.015 17551 6806 1 10 . 1 1 83 83 VAL N N 83 131.564 131.564 125.588 5.976 17551 6807 1 10 . 1 1 83 83 VAL HA H 83 3.784 3.784 4.617 -0.833 17551 6808 1 10 . 1 1 83 83 VAL C C 83 174.167 174.167 174.442 -0.275 17551 6809 1 10 . 1 1 83 83 VAL CA C 83 62.059 62.059 60.818 1.242 17551 6810 1 10 . 1 1 83 83 VAL CB C 83 31.076 31.076 33.794 -2.718 17551 6811 1 10 . 1 1 83 83 VAL H H 83 9.722 9.722 7.987 1.735 17551 6812 1 10 . 1 1 84 84 LYS N N 84 125.930 125.930 124.043 1.887 17551 6813 1 10 . 1 1 84 84 LYS HA H 84 4.851 4.851 4.940 -0.089 17551 6814 1 10 . 1 1 84 84 LYS C C 84 175.025 175.025 174.137 0.888 17551 6815 1 10 . 1 1 84 84 LYS CA C 84 54.213 54.213 54.055 0.158 17551 6816 1 10 . 1 1 84 84 LYS CB C 84 35.076 35.076 36.333 -1.257 17551 6817 1 10 . 1 1 84 84 LYS H H 84 8.541 8.541 9.060 -0.519 17551 6818 1 10 . 1 1 85 85 MET N N 85 119.366 119.366 120.575 -1.209 17551 6819 1 10 . 1 1 85 85 MET HA H 85 5.517 5.517 5.156 0.361 17551 6820 1 10 . 1 1 85 85 MET C C 85 175.698 175.698 175.243 0.455 17551 6821 1 10 . 1 1 85 85 MET CA C 85 54.256 54.256 54.883 -0.626 17551 6822 1 10 . 1 1 85 85 MET CB C 85 35.406 35.406 35.496 -0.090 17551 6823 1 10 . 1 1 85 85 MET H H 85 8.992 8.992 8.539 0.453 17551 6824 1 10 . 1 1 86 86 GLU N N 86 125.741 125.741 125.463 0.278 17551 6825 1 10 . 1 1 86 86 GLU HA H 86 4.654 4.654 4.526 0.128 17551 6826 1 10 . 1 1 86 86 GLU C C 86 177.223 177.223 176.475 0.748 17551 6827 1 10 . 1 1 86 86 GLU CA C 86 54.213 54.213 56.053 -1.841 17551 6828 1 10 . 1 1 86 86 GLU CB C 86 31.578 31.578 30.372 1.206 17551 6829 1 10 . 1 1 86 86 GLU H H 86 9.063 9.063 8.985 0.078 17551 6830 1 10 . 1 1 87 87 GLY N N 87 117.720 117.720 113.055 4.665 17551 6831 1 10 . 1 1 87 87 GLY C C 87 175.275 175.275 175.313 -0.038 17551 6832 1 10 . 1 1 87 87 GLY CA C 87 46.902 46.902 44.893 2.009 17551 6833 1 10 . 1 1 87 87 GLY H H 87 9.300 9.300 8.829 0.471 17551 6834 1 10 . 1 1 88 88 GLY N N 88 109.070 109.070 105.835 3.235 17551 6835 1 10 . 1 1 88 88 GLY C C 88 172.863 172.863 173.744 -0.881 17551 6836 1 10 . 1 1 88 88 GLY CA C 88 44.853 44.853 45.092 -0.239 17551 6837 1 10 . 1 1 88 88 GLY H H 88 8.739 8.739 8.374 0.365 17551 6838 1 10 . 1 1 89 89 LYS N N 89 120.150 120.150 118.181 1.969 17551 6839 1 10 . 1 1 89 89 LYS HA H 89 5.113 5.113 5.067 0.046 17551 6840 1 10 . 1 1 89 89 LYS C C 89 175.487 175.487 175.425 0.062 17551 6841 1 10 . 1 1 89 89 LYS CA C 89 54.363 54.363 54.388 -0.025 17551 6842 1 10 . 1 1 89 89 LYS CB C 89 33.753 33.753 34.948 -1.195 17551 6843 1 10 . 1 1 89 89 LYS H H 89 7.853 7.853 7.577 0.276 17551 6844 1 10 . 1 1 90 90 ILE N N 90 124.537 124.537 125.891 -1.354 17551 6845 1 10 . 1 1 90 90 ILE HA H 90 4.489 4.489 4.398 0.091 17551 6846 1 10 . 1 1 90 90 ILE C C 90 175.679 175.679 174.965 0.714 17551 6847 1 10 . 1 1 90 90 ILE CA C 90 60.930 60.930 61.278 -0.348 17551 6848 1 10 . 1 1 90 90 ILE CB C 90 38.367 38.367 37.258 1.109 17551 6849 1 10 . 1 1 90 90 ILE H H 90 9.081 9.081 8.414 0.667 17551 6850 1 10 . 1 1 91 91 VAL N N 91 124.871 124.871 129.247 -4.376 17551 6851 1 10 . 1 1 91 91 VAL HA H 91 4.591 4.591 5.258 -0.667 17551 6852 1 10 . 1 1 91 91 VAL C C 91 173.890 173.890 173.220 0.670 17551 6853 1 10 . 1 1 91 91 VAL CA C 91 60.743 60.743 58.933 1.810 17551 6854 1 10 . 1 1 91 91 VAL CB C 91 35.279 35.279 36.045 -0.766 17551 6855 1 10 . 1 1 91 91 VAL H H 91 8.786 8.786 8.717 0.069 17551 6856 1 10 . 1 1 92 92 ALA N N 92 129.590 129.590 130.558 -0.968 17551 6857 1 10 . 1 1 92 92 ALA HA H 92 4.563 4.563 4.708 -0.145 17551 6858 1 10 . 1 1 92 92 ALA C C 92 173.855 173.855 175.090 -1.235 17551 6859 1 10 . 1 1 92 92 ALA CA C 92 49.864 49.864 49.644 0.220 17551 6860 1 10 . 1 1 92 92 ALA CB C 92 21.948 21.948 22.436 -0.488 17551 6861 1 10 . 1 1 92 92 ALA H H 92 9.228 9.228 8.994 0.234 17551 6862 1 10 . 1 1 93 93 ASP N N 93 121.654 121.654 122.051 -0.397 17551 6863 1 10 . 1 1 93 93 ASP HA H 93 5.342 5.342 4.865 0.477 17551 6864 1 10 . 1 1 93 93 ASP C C 93 173.521 173.521 174.610 -1.089 17551 6865 1 10 . 1 1 93 93 ASP CA C 93 53.658 53.658 53.382 0.276 17551 6866 1 10 . 1 1 93 93 ASP CB C 93 44.462 44.462 42.566 1.896 17551 6867 1 10 . 1 1 93 93 ASP H H 93 8.326 8.326 7.747 0.579 17551 6868 1 10 . 1 1 94 94 PHE N N 94 122.296 122.296 123.064 -0.768 17551 6869 1 10 . 1 1 94 94 PHE HA H 94 5.024 5.024 4.860 0.164 17551 6870 1 10 . 1 1 94 94 PHE CA C 94 53.952 53.952 55.463 -1.511 17551 6871 1 10 . 1 1 94 94 PHE CB C 94 38.958 38.958 42.529 -3.571 17551 6872 1 10 . 1 1 94 94 PHE H H 94 8.776 8.776 8.143 0.633 17551 6873 1 10 . 1 1 95 95 PRO HA H 95 4.396 4.396 4.462 -0.066 17551 6874 1 10 . 1 1 95 95 PRO C C 95 177.375 177.375 176.981 0.394 17551 6875 1 10 . 1 1 95 95 PRO CA C 95 64.386 64.386 64.096 0.290 17551 6876 1 10 . 1 1 95 95 PRO CB C 95 30.432 30.432 31.158 -0.726 17551 6877 1 10 . 1 1 96 96 ASN N N 96 120.924 120.924 120.774 0.150 17551 6878 1 10 . 1 1 96 96 ASN HA H 96 4.619 4.619 4.338 0.281 17551 6879 1 10 . 1 1 96 96 ASN C C 96 174.189 174.189 173.386 0.803 17551 6880 1 10 . 1 1 96 96 ASN CA C 96 53.442 53.442 54.512 -1.070 17551 6881 1 10 . 1 1 96 96 ASN CB C 96 38.069 38.069 37.784 0.285 17551 6882 1 10 . 1 1 96 96 ASN H H 96 9.183 9.183 9.079 0.104 17551 6883 1 10 . 1 1 97 97 TYR N N 97 120.943 120.943 119.386 1.557 17551 6884 1 10 . 1 1 97 97 TYR HA H 97 4.804 4.804 5.771 -0.968 17551 6885 1 10 . 1 1 97 97 TYR C C 97 172.713 172.713 173.808 -1.095 17551 6886 1 10 . 1 1 97 97 TYR CA C 97 59.314 59.314 56.421 2.893 17551 6887 1 10 . 1 1 97 97 TYR CB C 97 40.512 40.512 41.066 -0.554 17551 6888 1 10 . 1 1 97 97 TYR H H 97 8.066 8.066 7.571 0.495 17551 6889 1 10 . 1 1 98 98 HIS N N 98 128.370 128.370 128.691 -0.321 17551 6890 1 10 . 1 1 98 98 HIS HA H 98 5.466 5.466 5.271 0.195 17551 6891 1 10 . 1 1 98 98 HIS C C 98 172.821 172.821 173.545 -0.724 17551 6892 1 10 . 1 1 98 98 HIS CA C 98 54.311 54.311 54.861 -0.550 17551 6893 1 10 . 1 1 98 98 HIS CB C 98 31.053 31.053 32.497 -1.444 17551 6894 1 10 . 1 1 98 98 HIS H H 98 8.786 8.786 8.843 -0.057 17551 6895 1 10 . 1 1 99 99 HIS N N 99 130.146 130.146 128.578 1.568 17551 6896 1 10 . 1 1 99 99 HIS HA H 99 5.689 5.689 5.833 -0.144 17551 6897 1 10 . 1 1 99 99 HIS C C 99 173.405 173.405 174.205 -0.800 17551 6898 1 10 . 1 1 99 99 HIS CA C 99 55.101 55.101 53.993 1.108 17551 6899 1 10 . 1 1 99 99 HIS CB C 99 34.888 34.888 32.618 2.269 17551 6900 1 10 . 1 1 99 99 HIS H H 99 8.963 8.963 8.378 0.585 17551 6901 1 10 . 1 1 100 100 THR N N 100 117.843 117.843 118.922 -1.079 17551 6902 1 10 . 1 1 100 100 THR HA H 100 5.597 5.597 5.390 0.207 17551 6903 1 10 . 1 1 100 100 THR C C 100 172.563 172.563 172.614 -0.051 17551 6904 1 10 . 1 1 100 100 THR CA C 100 57.863 57.863 59.992 -2.129 17551 6905 1 10 . 1 1 100 100 THR CB C 100 71.830 71.830 71.745 0.085 17551 6906 1 10 . 1 1 100 100 THR H H 100 8.871 8.871 8.839 0.032 17551 6907 1 10 . 1 1 101 101 ALA N N 101 121.591 121.591 127.177 -5.586 17551 6908 1 10 . 1 1 101 101 ALA HA H 101 5.318 5.318 5.475 -0.157 17551 6909 1 10 . 1 1 101 101 ALA C C 101 175.540 175.540 175.716 -0.176 17551 6910 1 10 . 1 1 101 101 ALA CA C 101 50.320 50.320 50.102 0.218 17551 6911 1 10 . 1 1 101 101 ALA CB C 101 22.819 22.819 22.273 0.546 17551 6912 1 10 . 1 1 101 101 ALA H H 101 8.825 8.825 9.018 -0.193 17551 6913 1 10 . 1 1 102 102 GLU N N 102 118.491 118.491 120.259 -1.768 17551 6914 1 10 . 1 1 102 102 GLU HA H 102 5.194 5.194 4.951 0.243 17551 6915 1 10 . 1 1 102 102 GLU C C 102 172.497 172.497 173.992 -1.495 17551 6916 1 10 . 1 1 102 102 GLU CA C 102 53.879 53.879 54.843 -0.964 17551 6917 1 10 . 1 1 102 102 GLU H H 102 8.785 8.785 8.521 0.264 17551 6918 1 10 . 1 1 103 103 ILE N N 103 121.813 121.813 120.798 1.015 17551 6919 1 10 . 1 1 103 103 ILE HA H 103 5.129 5.129 5.087 0.042 17551 6920 1 10 . 1 1 103 103 ILE C C 103 177.119 177.119 175.735 1.384 17551 6921 1 10 . 1 1 103 103 ILE CA C 103 56.631 56.631 59.305 -2.674 17551 6922 1 10 . 1 1 103 103 ILE CB C 103 34.564 34.564 38.018 -3.454 17551 6923 1 10 . 1 1 103 103 ILE H H 103 8.442 8.442 8.547 -0.105 17551 6924 1 10 . 1 1 104 104 SER N N 104 122.295 122.295 123.855 -1.560 17551 6925 1 10 . 1 1 104 104 SER HA H 104 4.783 4.783 4.635 0.148 17551 6926 1 10 . 1 1 104 104 SER CA C 104 55.521 55.521 57.579 -2.058 17551 6927 1 10 . 1 1 104 104 SER CB C 104 63.426 63.426 63.984 -0.558 17551 6928 1 10 . 1 1 104 104 SER H H 104 9.119 9.119 8.975 0.144 17551 6929 1 10 . 1 1 105 105 GLY C C 105 175.730 175.730 174.713 1.017 17551 6930 1 10 . 1 1 105 105 GLY CA C 105 46.925 46.925 44.731 2.194 17551 6931 1 10 . 1 1 106 106 GLY N N 106 105.123 105.123 104.746 0.377 17551 6932 1 10 . 1 1 106 106 GLY C C 106 173.229 173.229 173.012 0.217 17551 6933 1 10 . 1 1 106 106 GLY CA C 106 44.771 44.771 45.172 -0.401 17551 6934 1 10 . 1 1 106 106 GLY H H 106 8.476 8.476 8.393 0.083 17551 6935 1 10 . 1 1 107 107 LYS N N 107 119.187 119.187 117.800 1.387 17551 6936 1 10 . 1 1 107 107 LYS HA H 107 4.856 4.856 4.630 0.226 17551 6937 1 10 . 1 1 107 107 LYS C C 107 174.072 174.072 174.124 -0.052 17551 6938 1 10 . 1 1 107 107 LYS CA C 107 54.240 54.240 54.802 -0.562 17551 6939 1 10 . 1 1 107 107 LYS CB C 107 34.508 34.508 36.012 -1.504 17551 6940 1 10 . 1 1 107 107 LYS H H 107 7.639 7.639 7.298 0.341 17551 6941 1 10 . 1 1 108 108 LEU N N 108 122.725 122.725 124.827 -2.102 17551 6942 1 10 . 1 1 108 108 LEU HA H 108 4.793 4.793 4.980 -0.187 17551 6943 1 10 . 1 1 108 108 LEU C C 108 174.906 174.906 174.344 0.562 17551 6944 1 10 . 1 1 108 108 LEU CA C 108 54.275 54.275 53.889 0.386 17551 6945 1 10 . 1 1 108 108 LEU CB C 108 42.801 42.801 42.684 0.117 17551 6946 1 10 . 1 1 108 108 LEU H H 108 8.481 8.481 8.719 -0.238 17551 6947 1 10 . 1 1 109 109 VAL N N 109 130.844 130.844 128.004 2.840 17551 6948 1 10 . 1 1 109 109 VAL HA H 109 4.953 4.953 5.252 -0.299 17551 6949 1 10 . 1 1 109 109 VAL C C 109 176.004 176.004 173.973 2.031 17551 6950 1 10 . 1 1 109 109 VAL CA C 109 61.541 61.541 59.177 2.364 17551 6951 1 10 . 1 1 109 109 VAL CB C 109 32.721 32.721 34.734 -2.013 17551 6952 1 10 . 1 1 109 109 VAL H H 109 9.391 9.391 8.958 0.433 17551 6953 1 10 . 1 1 110 110 GLU N N 110 130.618 130.618 129.464 1.154 17551 6954 1 10 . 1 1 110 110 GLU HA H 110 5.393 5.393 5.279 0.114 17551 6955 1 10 . 1 1 110 110 GLU C C 110 175.537 175.537 175.328 0.209 17551 6956 1 10 . 1 1 110 110 GLU CA C 110 53.476 53.476 54.647 -1.171 17551 6957 1 10 . 1 1 110 110 GLU H H 110 9.386 9.386 8.662 0.724 17551 6958 1 10 . 1 1 111 111 ILE N N 111 126.952 126.952 125.648 1.304 17551 6959 1 10 . 1 1 111 111 ILE HA H 111 4.910 4.910 4.855 0.055 17551 6960 1 10 . 1 1 111 111 ILE C C 111 175.156 175.156 174.742 0.414 17551 6961 1 10 . 1 1 111 111 ILE CA C 111 59.562 59.562 59.857 -0.295 17551 6962 1 10 . 1 1 111 111 ILE CB C 111 39.029 39.029 40.753 -1.724 17551 6963 1 10 . 1 1 111 111 ILE H H 111 8.912 8.912 8.957 -0.045 17551 6964 1 10 . 1 1 112 112 SER N N 112 125.389 125.389 124.591 0.798 17551 6965 1 10 . 1 1 112 112 SER HA H 112 5.524 5.524 5.410 0.114 17551 6966 1 10 . 1 1 112 112 SER C C 112 172.120 172.120 173.804 -1.684 17551 6967 1 10 . 1 1 112 112 SER CA C 112 55.756 55.756 56.175 -0.419 17551 6968 1 10 . 1 1 112 112 SER CB C 112 64.025 64.025 64.598 -0.573 17551 6969 1 10 . 1 1 112 112 SER H H 112 9.495 9.495 9.182 0.313 17551 6970 1 10 . 1 1 113 113 THR N N 113 119.329 119.329 123.609 -4.280 17551 6971 1 10 . 1 1 113 113 THR HA H 113 5.633 5.633 5.383 0.250 17551 6972 1 10 . 1 1 113 113 THR C C 113 174.911 174.911 174.158 0.753 17551 6973 1 10 . 1 1 113 113 THR CA C 113 60.362 60.362 60.963 -0.601 17551 6974 1 10 . 1 1 113 113 THR CB C 113 70.377 70.377 69.968 0.409 17551 6975 1 10 . 1 1 113 113 THR H H 113 9.274 9.274 9.016 0.258 17551 6976 1 10 . 1 1 114 114 SER N N 114 121.027 121.027 121.908 -0.881 17551 6977 1 10 . 1 1 114 114 SER HA H 114 4.479 4.479 5.415 -0.936 17551 6978 1 10 . 1 1 114 114 SER C C 114 174.507 174.507 174.501 0.006 17551 6979 1 10 . 1 1 114 114 SER CA C 114 57.423 57.423 57.291 0.132 17551 6980 1 10 . 1 1 114 114 SER CB C 114 64.798 64.798 65.416 -0.618 17551 6981 1 10 . 1 1 114 114 SER H H 114 8.657 8.657 8.626 0.031 17551 6982 1 10 . 1 1 115 115 SER N N 115 122.405 122.405 121.288 1.117 17551 6983 1 10 . 1 1 115 115 SER HA H 115 4.092 4.092 4.121 -0.029 17551 6984 1 10 . 1 1 115 115 SER C C 115 174.387 174.387 174.312 0.075 17551 6985 1 10 . 1 1 115 115 SER CA C 115 58.417 58.417 59.362 -0.945 17551 6986 1 10 . 1 1 115 115 SER CB C 115 61.860 61.860 62.252 -0.391 17551 6987 1 10 . 1 1 115 115 SER H H 115 9.265 9.265 9.337 -0.072 17551 6988 1 10 . 1 1 116 116 GLY N N 116 103.741 103.741 104.407 -0.666 17551 6989 1 10 . 1 1 116 116 GLY C C 116 173.618 173.618 174.158 -0.540 17551 6990 1 10 . 1 1 116 116 GLY CA C 116 44.584 44.584 44.754 -0.170 17551 6991 1 10 . 1 1 116 116 GLY H H 116 8.730 8.730 8.480 0.250 17551 6992 1 10 . 1 1 117 117 VAL N N 117 123.819 123.819 123.473 0.346 17551 6993 1 10 . 1 1 117 117 VAL HA H 117 4.242 4.242 4.111 0.131 17551 6994 1 10 . 1 1 117 117 VAL C C 117 173.712 173.712 175.209 -1.497 17551 6995 1 10 . 1 1 117 117 VAL CA C 117 61.946 61.946 62.446 -0.499 17551 6996 1 10 . 1 1 117 117 VAL CB C 117 32.244 32.244 32.333 -0.089 17551 6997 1 10 . 1 1 117 117 VAL H H 117 8.177 8.177 7.805 0.372 17551 6998 1 10 . 1 1 118 118 VAL N N 118 127.074 127.074 128.720 -1.646 17551 6999 1 10 . 1 1 118 118 VAL HA H 118 4.519 4.519 4.223 0.296 17551 7000 1 10 . 1 1 118 118 VAL C C 118 174.793 174.793 175.048 -0.255 17551 7001 1 10 . 1 1 118 118 VAL CA C 118 61.227 61.227 61.796 -0.569 17551 7002 1 10 . 1 1 118 118 VAL CB C 118 32.503 32.503 31.670 0.833 17551 7003 1 10 . 1 1 118 118 VAL H H 118 8.441 8.441 8.599 -0.158 17551 7004 1 10 . 1 1 119 119 TYR N N 119 131.178 131.178 131.016 0.162 17551 7005 1 10 . 1 1 119 119 TYR HA H 119 5.095 5.095 4.746 0.349 17551 7006 1 10 . 1 1 119 119 TYR C C 119 173.029 173.029 173.410 -0.381 17551 7007 1 10 . 1 1 119 119 TYR CA C 119 54.862 54.862 56.637 -1.775 17551 7008 1 10 . 1 1 119 119 TYR CB C 119 40.213 40.213 40.542 -0.329 17551 7009 1 10 . 1 1 119 119 TYR H H 119 9.315 9.315 9.210 0.104 17551 7010 1 10 . 1 1 120 120 LYS N N 120 126.654 126.654 127.223 -0.569 17551 7011 1 10 . 1 1 120 120 LYS HA H 120 4.922 4.922 5.230 -0.308 17551 7012 1 10 . 1 1 120 120 LYS C C 120 173.813 173.813 174.513 -0.700 17551 7013 1 10 . 1 1 120 120 LYS CA C 120 53.685 53.685 54.009 -0.324 17551 7014 1 10 . 1 1 120 120 LYS CB C 120 36.014 36.014 36.600 -0.586 17551 7015 1 10 . 1 1 120 120 LYS H H 120 7.342 7.342 8.528 -1.186 17551 7016 1 10 . 1 1 121 121 ARG N N 121 124.124 124.124 120.961 3.163 17551 7017 1 10 . 1 1 121 121 ARG HA H 121 4.798 4.798 4.915 -0.117 17551 7018 1 10 . 1 1 121 121 ARG C C 121 174.874 174.874 174.437 0.437 17551 7019 1 10 . 1 1 121 121 ARG CB C 121 34.257 34.257 33.681 0.576 17551 7020 1 10 . 1 1 121 121 ARG H H 121 9.087 9.087 8.665 0.422 17551 7021 1 10 . 1 1 122 122 THR N N 122 122.859 122.859 122.025 0.834 17551 7022 1 10 . 1 1 122 122 THR HA H 122 5.224 5.224 5.187 0.037 17551 7023 1 10 . 1 1 122 122 THR C C 122 174.321 174.321 173.807 0.514 17551 7024 1 10 . 1 1 122 122 THR CA C 122 62.177 62.177 61.678 0.499 17551 7025 1 10 . 1 1 122 122 THR CB C 122 69.459 69.459 70.416 -0.957 17551 7026 1 10 . 1 1 122 122 THR H H 122 9.358 9.358 9.178 0.180 17551 7027 1 10 . 1 1 123 123 SER N N 123 123.389 123.389 123.575 -0.186 17551 7028 1 10 . 1 1 123 123 SER HA H 123 5.196 5.196 5.461 -0.265 17551 7029 1 10 . 1 1 123 123 SER C C 123 172.464 172.464 173.652 -1.188 17551 7030 1 10 . 1 1 123 123 SER CA C 123 57.571 57.571 57.421 0.150 17551 7031 1 10 . 1 1 123 123 SER CB C 123 65.697 65.697 65.924 -0.227 17551 7032 1 10 . 1 1 123 123 SER H H 123 9.749 9.749 9.400 0.349 17551 7033 1 10 . 1 1 124 124 LYS N N 124 125.058 125.058 123.808 1.250 17551 7034 1 10 . 1 1 124 124 LYS HA H 124 4.681 4.681 4.431 0.250 17551 7035 1 10 . 1 1 124 124 LYS C C 124 175.141 175.141 175.730 -0.589 17551 7036 1 10 . 1 1 124 124 LYS CA C 124 54.444 54.444 55.864 -1.421 17551 7037 1 10 . 1 1 124 124 LYS CB C 124 33.492 33.492 33.697 -0.205 17551 7038 1 10 . 1 1 124 124 LYS H H 124 8.808 8.808 8.477 0.331 17551 7039 1 10 . 1 1 125 125 LYS N N 125 126.114 126.114 122.814 3.300 17551 7040 1 10 . 1 1 125 125 LYS HA H 125 4.367 4.367 5.036 -0.669 17551 7041 1 10 . 1 1 125 125 LYS C C 125 176.828 176.828 175.532 1.296 17551 7042 1 10 . 1 1 125 125 LYS CA C 125 56.752 56.752 55.181 1.571 17551 7043 1 10 . 1 1 125 125 LYS CB C 125 32.912 32.912 33.060 -0.148 17551 7044 1 10 . 1 1 125 125 LYS H H 125 9.215 9.215 8.554 0.661 17551 7045 1 10 . 1 1 126 126 ILE N N 126 125.207 125.207 124.134 1.073 17551 7046 1 10 . 1 1 126 126 ILE HA H 126 4.302 4.302 4.513 -0.211 17551 7047 1 10 . 1 1 126 126 ILE C C 126 175.240 175.240 173.621 1.619 17551 7048 1 10 . 1 1 126 126 ILE CA C 126 60.067 60.067 59.837 0.230 17551 7049 1 10 . 1 1 126 126 ILE CB C 126 38.611 38.611 41.910 -3.299 17551 7050 1 10 . 1 1 126 126 ILE H H 126 8.777 8.777 8.666 0.111 17551 7051 1 11 . 1 1 2 2 PHE N N 2 114.421 114.421 118.874 -4.453 17551 7052 1 11 . 1 1 2 2 PHE HA H 2 4.205 4.205 4.794 -0.589 17551 7053 1 11 . 1 1 2 2 PHE C C 2 177.675 177.675 176.800 0.875 17551 7054 1 11 . 1 1 2 2 PHE CA C 2 59.748 59.748 59.225 0.523 17551 7055 1 11 . 1 1 2 2 PHE CB C 2 41.014 41.014 39.702 1.312 17551 7056 1 11 . 1 1 2 2 PHE H H 2 9.501 9.501 8.141 1.360 17551 7057 1 11 . 1 1 3 3 THR N N 3 118.304 118.304 115.888 2.416 17551 7058 1 11 . 1 1 3 3 THR HA H 3 4.021 4.021 4.469 -0.448 17551 7059 1 11 . 1 1 3 3 THR C C 3 173.811 173.811 175.054 -1.243 17551 7060 1 11 . 1 1 3 3 THR CA C 3 63.646 63.646 64.166 -0.520 17551 7061 1 11 . 1 1 3 3 THR CB C 3 69.230 69.230 69.038 0.192 17551 7062 1 11 . 1 1 3 3 THR H H 3 7.721 7.721 7.964 -0.243 17551 7063 1 11 . 1 1 4 4 GLY N N 4 113.320 113.320 112.319 1.001 17551 7064 1 11 . 1 1 4 4 GLY C C 4 169.382 169.382 172.152 -2.770 17551 7065 1 11 . 1 1 4 4 GLY CA C 4 44.343 44.343 44.599 -0.256 17551 7066 1 11 . 1 1 4 4 GLY H H 4 8.881 8.881 8.602 0.279 17551 7067 1 11 . 1 1 5 5 LYS N N 5 120.330 120.330 120.951 -0.621 17551 7068 1 11 . 1 1 5 5 LYS HA H 5 5.255 5.255 5.184 0.071 17551 7069 1 11 . 1 1 5 5 LYS C C 5 174.306 174.306 174.768 -0.462 17551 7070 1 11 . 1 1 5 5 LYS CA C 5 54.232 54.232 54.563 -0.331 17551 7071 1 11 . 1 1 5 5 LYS CB C 5 35.137 35.137 34.967 0.171 17551 7072 1 11 . 1 1 5 5 LYS H H 5 7.914 7.914 7.935 -0.021 17551 7073 1 11 . 1 1 6 6 TYR N N 6 122.260 122.260 122.869 -0.609 17551 7074 1 11 . 1 1 6 6 TYR HA H 6 5.617 5.617 5.874 -0.257 17551 7075 1 11 . 1 1 6 6 TYR C C 6 174.519 174.519 175.540 -1.021 17551 7076 1 11 . 1 1 6 6 TYR CA C 6 55.158 55.158 56.064 -0.906 17551 7077 1 11 . 1 1 6 6 TYR CB C 6 41.637 41.637 42.796 -1.159 17551 7078 1 11 . 1 1 6 6 TYR H H 6 9.736 9.736 8.924 0.812 17551 7079 1 11 . 1 1 7 7 GLU N N 7 122.025 122.025 120.023 2.002 17551 7080 1 11 . 1 1 7 7 GLU HA H 7 5.096 5.096 5.544 -0.448 17551 7081 1 11 . 1 1 7 7 GLU C C 7 174.888 174.888 175.720 -0.832 17551 7082 1 11 . 1 1 7 7 GLU CA C 7 53.988 53.988 53.547 0.441 17551 7083 1 11 . 1 1 7 7 GLU CB C 7 33.716 33.716 34.757 -1.041 17551 7084 1 11 . 1 1 7 7 GLU H H 7 9.461 9.461 8.617 0.844 17551 7085 1 11 . 1 1 8 8 PHE N N 8 126.529 126.529 123.425 3.104 17551 7086 1 11 . 1 1 8 8 PHE HA H 8 4.599 4.599 4.248 0.351 17551 7087 1 11 . 1 1 8 8 PHE C C 8 172.999 172.999 174.820 -1.821 17551 7088 1 11 . 1 1 8 8 PHE CA C 8 59.847 59.847 60.473 -0.626 17551 7089 1 11 . 1 1 8 8 PHE CB C 8 40.687 40.687 39.000 1.687 17551 7090 1 11 . 1 1 8 8 PHE H H 8 7.986 7.986 8.714 -0.728 17551 7091 1 11 . 1 1 9 9 GLU N N 9 129.046 129.046 127.249 1.797 17551 7092 1 11 . 1 1 9 9 GLU HA H 9 4.306 4.306 4.625 -0.319 17551 7093 1 11 . 1 1 9 9 GLU C C 9 174.528 174.528 175.613 -1.085 17551 7094 1 11 . 1 1 9 9 GLU CA C 9 56.545 56.545 56.904 -0.359 17551 7095 1 11 . 1 1 9 9 GLU CB C 9 32.798 32.798 32.594 0.204 17551 7096 1 11 . 1 1 9 9 GLU H H 9 9.151 9.151 8.527 0.624 17551 7097 1 11 . 1 1 10 10 SER N N 10 111.041 111.041 112.405 -1.364 17551 7098 1 11 . 1 1 10 10 SER HA H 10 4.258 4.258 4.756 -0.498 17551 7099 1 11 . 1 1 10 10 SER C C 10 171.216 171.216 172.030 -0.814 17551 7100 1 11 . 1 1 10 10 SER CA C 10 57.930 57.930 57.329 0.601 17551 7101 1 11 . 1 1 10 10 SER CB C 10 64.720 64.720 65.557 -0.837 17551 7102 1 11 . 1 1 10 10 SER H H 10 7.612 7.612 7.831 -0.219 17551 7103 1 11 . 1 1 11 11 ASP N N 11 118.058 118.058 117.497 0.561 17551 7104 1 11 . 1 1 11 11 ASP HA H 11 5.500 5.500 5.236 0.264 17551 7105 1 11 . 1 1 11 11 ASP C C 11 174.845 174.845 174.323 0.522 17551 7106 1 11 . 1 1 11 11 ASP CA C 11 51.633 51.633 53.481 -1.848 17551 7107 1 11 . 1 1 11 11 ASP H H 11 8.632 8.632 8.457 0.175 17551 7108 1 11 . 1 1 12 12 GLU N N 12 117.523 117.523 120.683 -3.160 17551 7109 1 11 . 1 1 12 12 GLU HA H 12 4.782 4.782 4.642 0.140 17551 7110 1 11 . 1 1 12 12 GLU C C 12 175.293 175.293 175.470 -0.177 17551 7111 1 11 . 1 1 12 12 GLU CB C 12 33.450 33.450 32.154 1.296 17551 7112 1 11 . 1 1 12 12 GLU H H 12 8.562 8.562 8.825 -0.263 17551 7113 1 11 . 1 1 13 13 ASN N N 13 118.877 118.877 120.926 -2.049 17551 7114 1 11 . 1 1 13 13 ASN HA H 13 4.742 4.742 4.501 0.241 17551 7115 1 11 . 1 1 13 13 ASN C C 13 175.303 175.303 175.013 0.290 17551 7116 1 11 . 1 1 13 13 ASN CA C 13 53.373 53.373 54.307 -0.934 17551 7117 1 11 . 1 1 13 13 ASN CB C 13 37.207 37.207 36.908 0.299 17551 7118 1 11 . 1 1 13 13 ASN H H 13 9.110 9.110 9.155 -0.045 17551 7119 1 11 . 1 1 14 14 TYR N N 14 118.061 118.061 120.777 -2.716 17551 7120 1 11 . 1 1 14 14 TYR HA H 14 4.015 4.015 4.115 -0.100 17551 7121 1 11 . 1 1 14 14 TYR C C 14 176.581 176.581 176.470 0.111 17551 7122 1 11 . 1 1 14 14 TYR CA C 14 62.797 62.797 62.932 -0.135 17551 7123 1 11 . 1 1 14 14 TYR CB C 14 38.998 38.998 38.754 0.244 17551 7124 1 11 . 1 1 14 14 TYR H H 14 8.731 8.731 7.920 0.811 17551 7125 1 11 . 1 1 15 15 ASP N N 15 115.317 115.317 117.312 -1.995 17551 7126 1 11 . 1 1 15 15 ASP HA H 15 4.112 4.112 4.320 -0.208 17551 7127 1 11 . 1 1 15 15 ASP C C 15 178.333 178.333 178.040 0.293 17551 7128 1 11 . 1 1 15 15 ASP CA C 15 57.819 57.819 58.821 -1.002 17551 7129 1 11 . 1 1 15 15 ASP CB C 15 40.410 40.410 40.202 0.208 17551 7130 1 11 . 1 1 15 15 ASP H H 15 8.316 8.316 9.013 -0.697 17551 7131 1 11 . 1 1 16 16 ASP N N 16 117.774 117.774 120.152 -2.378 17551 7132 1 11 . 1 1 16 16 ASP HA H 16 4.392 4.392 4.427 -0.035 17551 7133 1 11 . 1 1 16 16 ASP C C 16 178.597 178.597 178.393 0.204 17551 7134 1 11 . 1 1 16 16 ASP CA C 16 56.348 56.348 57.225 -0.877 17551 7135 1 11 . 1 1 16 16 ASP CB C 16 39.883 39.883 40.901 -1.018 17551 7136 1 11 . 1 1 16 16 ASP H H 16 8.449 8.449 8.253 0.196 17551 7137 1 11 . 1 1 17 17 PHE N N 17 120.363 120.363 121.097 -0.734 17551 7138 1 11 . 1 1 17 17 PHE HA H 17 4.068 4.068 4.090 -0.022 17551 7139 1 11 . 1 1 17 17 PHE C C 17 176.755 176.755 177.405 -0.650 17551 7140 1 11 . 1 1 17 17 PHE CA C 17 61.840 61.840 60.972 0.868 17551 7141 1 11 . 1 1 17 17 PHE CB C 17 39.794 39.794 38.983 0.812 17551 7142 1 11 . 1 1 17 17 PHE H H 17 7.931 7.931 7.935 -0.004 17551 7143 1 11 . 1 1 18 18 VAL N N 18 110.180 110.180 116.974 -6.794 17551 7144 1 11 . 1 1 18 18 VAL HA H 18 3.595 3.595 3.308 0.287 17551 7145 1 11 . 1 1 18 18 VAL C C 18 178.434 178.434 177.651 0.783 17551 7146 1 11 . 1 1 18 18 VAL CA C 18 64.697 64.697 66.553 -1.856 17551 7147 1 11 . 1 1 18 18 VAL CB C 18 29.602 29.602 31.126 -1.524 17551 7148 1 11 . 1 1 18 18 VAL H H 18 8.294 8.294 8.275 0.019 17551 7149 1 11 . 1 1 19 19 LYS N N 19 119.749 119.749 118.555 1.194 17551 7150 1 11 . 1 1 19 19 LYS HA H 19 4.108 4.108 4.081 0.027 17551 7151 1 11 . 1 1 19 19 LYS C C 19 179.796 179.796 178.989 0.807 17551 7152 1 11 . 1 1 19 19 LYS CA C 19 58.320 58.320 58.134 0.186 17551 7153 1 11 . 1 1 19 19 LYS CB C 19 31.918 31.918 31.998 -0.080 17551 7154 1 11 . 1 1 19 19 LYS H H 19 7.382 7.382 8.180 -0.798 17551 7155 1 11 . 1 1 20 20 LYS N N 20 121.187 121.187 120.106 1.081 17551 7156 1 11 . 1 1 20 20 LYS HA H 20 4.071 4.071 4.121 -0.050 17551 7157 1 11 . 1 1 20 20 LYS C C 20 179.071 179.071 178.664 0.407 17551 7158 1 11 . 1 1 20 20 LYS CA C 20 57.347 57.347 58.367 -1.020 17551 7159 1 11 . 1 1 20 20 LYS CB C 20 30.633 30.633 32.437 -1.804 17551 7160 1 11 . 1 1 20 20 LYS H H 20 7.718 7.718 7.436 0.282 17551 7161 1 11 . 1 1 21 21 ILE N N 21 109.363 109.363 112.116 -2.753 17551 7162 1 11 . 1 1 21 21 ILE HA H 21 4.212 4.212 4.058 0.154 17551 7163 1 11 . 1 1 21 21 ILE C C 21 176.366 176.366 176.223 0.143 17551 7164 1 11 . 1 1 21 21 ILE CA C 21 61.610 61.610 61.722 -0.112 17551 7165 1 11 . 1 1 21 21 ILE CB C 21 36.968 36.968 38.145 -1.177 17551 7166 1 11 . 1 1 21 21 ILE H H 21 7.591 7.591 7.577 0.014 17551 7167 1 11 . 1 1 22 22 GLY N N 22 107.961 107.961 108.042 -0.081 17551 7168 1 11 . 1 1 22 22 GLY C C 22 174.877 174.877 174.574 0.303 17551 7169 1 11 . 1 1 22 22 GLY CA C 22 45.510 45.510 44.749 0.761 17551 7170 1 11 . 1 1 22 22 GLY H H 22 7.260 7.260 7.343 -0.083 17551 7171 1 11 . 1 1 23 23 LEU N N 23 120.597 120.597 122.460 -1.863 17551 7172 1 11 . 1 1 23 23 LEU HA H 23 4.207 4.207 4.415 -0.208 17551 7173 1 11 . 1 1 23 23 LEU CA C 23 52.923 52.923 53.120 -0.197 17551 7174 1 11 . 1 1 23 23 LEU CB C 23 42.241 42.241 42.822 -0.581 17551 7175 1 11 . 1 1 23 23 LEU H H 23 7.314 7.314 7.787 -0.473 17551 7176 1 11 . 1 1 24 24 PRO HA H 24 4.537 4.537 4.493 0.044 17551 7177 1 11 . 1 1 24 24 PRO C C 24 177.702 177.702 177.304 0.398 17551 7178 1 11 . 1 1 24 24 PRO CA C 24 61.891 61.891 62.375 -0.484 17551 7179 1 11 . 1 1 24 24 PRO CB C 24 32.260 32.260 32.644 -0.384 17551 7180 1 11 . 1 1 25 25 ALA N N 25 123.142 123.142 126.969 -3.827 17551 7181 1 11 . 1 1 25 25 ALA HA H 25 3.935 3.935 3.987 -0.052 17551 7182 1 11 . 1 1 25 25 ALA C C 25 179.461 179.461 179.586 -0.125 17551 7183 1 11 . 1 1 25 25 ALA CA C 25 55.314 55.314 55.522 -0.208 17551 7184 1 11 . 1 1 25 25 ALA CB C 25 18.220 18.220 18.524 -0.304 17551 7185 1 11 . 1 1 25 25 ALA H H 25 8.738 8.738 8.668 0.070 17551 7186 1 11 . 1 1 26 26 ASP N N 26 115.440 115.440 116.948 -1.508 17551 7187 1 11 . 1 1 26 26 ASP HA H 26 4.379 4.379 4.415 -0.036 17551 7188 1 11 . 1 1 26 26 ASP C C 26 179.291 179.291 178.664 0.627 17551 7189 1 11 . 1 1 26 26 ASP CA C 26 56.015 56.015 57.526 -1.511 17551 7190 1 11 . 1 1 26 26 ASP CB C 26 38.136 38.136 40.772 -2.636 17551 7191 1 11 . 1 1 26 26 ASP H H 26 8.971 8.971 8.745 0.226 17551 7192 1 11 . 1 1 27 27 LYS N N 27 122.292 122.292 118.512 3.780 17551 7193 1 11 . 1 1 27 27 LYS HA H 27 4.160 4.160 4.289 -0.129 17551 7194 1 11 . 1 1 27 27 LYS C C 27 177.758 177.758 179.038 -1.280 17551 7195 1 11 . 1 1 27 27 LYS CA C 27 58.022 58.022 57.385 0.637 17551 7196 1 11 . 1 1 27 27 LYS CB C 27 31.334 31.334 32.409 -1.075 17551 7197 1 11 . 1 1 27 27 LYS H H 27 7.434 7.434 7.592 -0.158 17551 7198 1 11 . 1 1 28 28 ILE N N 28 119.737 119.737 122.343 -2.606 17551 7199 1 11 . 1 1 28 28 ILE HA H 28 3.586 3.586 3.792 -0.206 17551 7200 1 11 . 1 1 28 28 ILE C C 28 180.386 180.386 178.585 1.801 17551 7201 1 11 . 1 1 28 28 ILE CA C 28 65.027 65.027 65.897 -0.870 17551 7202 1 11 . 1 1 28 28 ILE CB C 28 37.002 37.002 38.027 -1.025 17551 7203 1 11 . 1 1 28 28 ILE H H 28 8.016 8.016 8.679 -0.663 17551 7204 1 11 . 1 1 29 29 GLU N N 29 117.216 117.216 118.097 -0.881 17551 7205 1 11 . 1 1 29 29 GLU HA H 29 4.294 4.294 4.143 0.151 17551 7206 1 11 . 1 1 29 29 GLU C C 29 179.024 179.024 179.296 -0.272 17551 7207 1 11 . 1 1 29 29 GLU CA C 29 58.139 58.139 58.922 -0.783 17551 7208 1 11 . 1 1 29 29 GLU CB C 29 28.028 28.028 29.103 -1.075 17551 7209 1 11 . 1 1 29 29 GLU H H 29 7.755 7.755 8.458 -0.703 17551 7210 1 11 . 1 1 30 30 MET N N 30 119.183 119.183 120.354 -1.171 17551 7211 1 11 . 1 1 30 30 MET HA H 30 4.194 4.194 4.380 -0.186 17551 7212 1 11 . 1 1 30 30 MET C C 30 177.683 177.683 177.256 0.427 17551 7213 1 11 . 1 1 30 30 MET CA C 30 58.150 58.150 56.969 1.181 17551 7214 1 11 . 1 1 30 30 MET CB C 30 33.162 33.162 32.931 0.231 17551 7215 1 11 . 1 1 30 30 MET H H 30 7.659 7.659 7.670 -0.011 17551 7216 1 11 . 1 1 31 31 GLY N N 31 102.603 102.603 103.988 -1.385 17551 7217 1 11 . 1 1 31 31 GLY C C 31 172.264 172.264 173.486 -1.222 17551 7218 1 11 . 1 1 31 31 GLY CA C 31 45.433 45.433 44.525 0.908 17551 7219 1 11 . 1 1 31 31 GLY H H 31 7.839 7.839 8.309 -0.470 17551 7220 1 11 . 1 1 32 32 ARG N N 32 121.453 121.453 120.223 1.230 17551 7221 1 11 . 1 1 32 32 ARG HA H 32 3.072 3.072 4.280 -1.208 17551 7222 1 11 . 1 1 32 32 ARG C C 32 175.932 175.932 175.661 0.271 17551 7223 1 11 . 1 1 32 32 ARG CA C 32 56.894 56.894 55.321 1.573 17551 7224 1 11 . 1 1 32 32 ARG CB C 32 29.004 29.004 30.628 -1.624 17551 7225 1 11 . 1 1 32 32 ARG H H 32 6.954 6.954 7.309 -0.355 17551 7226 1 11 . 1 1 33 33 ASN N N 33 127.905 127.905 116.541 11.364 17551 7227 1 11 . 1 1 33 33 ASN HA H 33 4.066 4.066 3.514 0.552 17551 7228 1 11 . 1 1 33 33 ASN C C 33 173.939 173.939 173.877 0.062 17551 7229 1 11 . 1 1 33 33 ASN CA C 33 53.539 53.539 53.719 -0.180 17551 7230 1 11 . 1 1 33 33 ASN CB C 33 37.017 37.017 37.814 -0.797 17551 7231 1 11 . 1 1 33 33 ASN H H 33 8.990 8.990 8.468 0.522 17551 7232 1 11 . 1 1 34 34 CYS N N 34 116.649 116.649 117.940 -1.291 17551 7233 1 11 . 1 1 34 34 CYS HA H 34 4.018 4.018 4.348 -0.330 17551 7234 1 11 . 1 1 34 34 CYS C C 34 175.384 175.384 174.876 0.508 17551 7235 1 11 . 1 1 34 34 CYS CA C 34 57.216 57.216 58.384 -1.168 17551 7236 1 11 . 1 1 34 34 CYS CB C 34 27.200 27.200 29.695 -2.495 17551 7237 1 11 . 1 1 34 34 CYS H H 34 7.443 7.443 7.594 -0.151 17551 7238 1 11 . 1 1 35 35 LYS N N 35 130.727 130.727 124.549 6.178 17551 7239 1 11 . 1 1 35 35 LYS HA H 35 4.296 4.296 4.333 -0.037 17551 7240 1 11 . 1 1 35 35 LYS C C 35 175.272 175.272 175.206 0.066 17551 7241 1 11 . 1 1 35 35 LYS CA C 35 55.577 55.577 55.916 -0.339 17551 7242 1 11 . 1 1 35 35 LYS CB C 35 29.487 29.487 30.756 -1.269 17551 7243 1 11 . 1 1 35 35 LYS H H 35 8.691 8.691 8.494 0.197 17551 7244 1 11 . 1 1 36 36 ILE N N 36 125.658 125.658 125.015 0.643 17551 7245 1 11 . 1 1 36 36 ILE HA H 36 4.010 4.010 4.652 -0.642 17551 7246 1 11 . 1 1 36 36 ILE C C 36 177.115 177.115 176.052 1.063 17551 7247 1 11 . 1 1 36 36 ILE CA C 36 62.608 62.608 58.818 3.791 17551 7248 1 11 . 1 1 36 36 ILE CB C 36 39.739 39.739 37.800 1.939 17551 7249 1 11 . 1 1 36 36 ILE H H 36 7.658 7.658 8.207 -0.549 17551 7250 1 11 . 1 1 37 37 VAL N N 37 130.730 130.730 128.951 1.779 17551 7251 1 11 . 1 1 37 37 VAL HA H 37 5.105 5.105 5.159 -0.054 17551 7252 1 11 . 1 1 37 37 VAL C C 37 175.295 175.295 176.255 -0.960 17551 7253 1 11 . 1 1 37 37 VAL CA C 37 60.845 60.845 61.221 -0.376 17551 7254 1 11 . 1 1 37 37 VAL CB C 37 33.716 33.716 33.222 0.494 17551 7255 1 11 . 1 1 37 37 VAL H H 37 7.909 7.909 8.547 -0.638 17551 7256 1 11 . 1 1 38 38 THR N N 38 127.066 127.066 124.365 2.701 17551 7257 1 11 . 1 1 38 38 THR HA H 38 5.405 5.405 5.427 -0.022 17551 7258 1 11 . 1 1 38 38 THR C C 38 174.035 174.035 174.242 -0.207 17551 7259 1 11 . 1 1 38 38 THR CA C 38 61.303 61.303 60.946 0.358 17551 7260 1 11 . 1 1 38 38 THR CB C 38 70.474 70.474 69.432 1.042 17551 7261 1 11 . 1 1 38 38 THR H H 38 9.393 9.393 9.315 0.078 17551 7262 1 11 . 1 1 39 39 GLU N N 39 126.804 126.804 128.771 -1.967 17551 7263 1 11 . 1 1 39 39 GLU HA H 39 5.216 5.216 4.665 0.551 17551 7264 1 11 . 1 1 39 39 GLU C C 39 174.379 174.379 174.965 -0.586 17551 7265 1 11 . 1 1 39 39 GLU CA C 39 54.232 54.232 55.974 -1.742 17551 7266 1 11 . 1 1 39 39 GLU CB C 39 32.531 32.531 30.604 1.927 17551 7267 1 11 . 1 1 39 39 GLU H H 39 9.728 9.728 8.567 1.161 17551 7268 1 11 . 1 1 40 40 VAL N N 40 125.405 125.405 127.095 -1.690 17551 7269 1 11 . 1 1 40 40 VAL HA H 40 4.859 4.859 5.214 -0.355 17551 7270 1 11 . 1 1 40 40 VAL C C 40 176.139 176.139 175.505 0.634 17551 7271 1 11 . 1 1 40 40 VAL CA C 40 60.091 60.091 60.394 -0.303 17551 7272 1 11 . 1 1 40 40 VAL CB C 40 33.952 33.952 32.791 1.161 17551 7273 1 11 . 1 1 40 40 VAL H H 40 9.326 9.326 8.939 0.387 17551 7274 1 11 . 1 1 41 41 VAL N N 41 127.197 127.197 128.541 -1.344 17551 7275 1 11 . 1 1 41 41 VAL HA H 41 4.144 4.144 4.374 -0.230 17551 7276 1 11 . 1 1 41 41 VAL C C 41 173.604 173.604 174.363 -0.759 17551 7277 1 11 . 1 1 41 41 VAL CA C 41 62.522 62.522 60.980 1.542 17551 7278 1 11 . 1 1 41 41 VAL CB C 41 33.757 33.757 33.451 0.306 17551 7279 1 11 . 1 1 41 41 VAL H H 41 8.811 8.811 9.015 -0.204 17551 7280 1 11 . 1 1 42 42 GLN N N 42 130.317 130.317 126.164 4.153 17551 7281 1 11 . 1 1 42 42 GLN HA H 42 4.430 4.430 4.115 0.315 17551 7282 1 11 . 1 1 42 42 GLN C C 42 174.239 174.239 174.835 -0.596 17551 7283 1 11 . 1 1 42 42 GLN CA C 42 52.960 52.960 55.570 -2.610 17551 7284 1 11 . 1 1 42 42 GLN CB C 42 29.877 29.877 29.576 0.301 17551 7285 1 11 . 1 1 42 42 GLN H H 42 8.345 8.345 8.689 -0.344 17551 7286 1 11 . 1 1 43 43 ASN N N 43 125.513 125.513 126.865 -1.352 17551 7287 1 11 . 1 1 43 43 ASN HA H 43 4.826 4.826 4.851 -0.025 17551 7288 1 11 . 1 1 43 43 ASN C C 43 175.350 175.350 175.312 0.038 17551 7289 1 11 . 1 1 43 43 ASN CA C 43 51.303 51.303 51.839 -0.536 17551 7290 1 11 . 1 1 43 43 ASN CB C 43 39.051 39.051 38.618 0.433 17551 7291 1 11 . 1 1 43 43 ASN H H 43 8.772 8.772 8.061 0.711 17551 7292 1 11 . 1 1 44 44 GLY N N 44 115.694 115.694 112.663 3.031 17551 7293 1 11 . 1 1 44 44 GLY C C 44 173.199 173.199 174.957 -1.758 17551 7294 1 11 . 1 1 44 44 GLY CA C 44 46.964 46.964 46.788 0.177 17551 7295 1 11 . 1 1 44 44 GLY H H 44 9.187 9.187 8.539 0.648 17551 7296 1 11 . 1 1 45 45 ASN N N 45 125.520 125.520 123.058 2.462 17551 7297 1 11 . 1 1 45 45 ASN HA H 45 4.991 4.991 4.839 0.152 17551 7298 1 11 . 1 1 45 45 ASN C C 45 173.822 173.822 172.676 1.146 17551 7299 1 11 . 1 1 45 45 ASN CA C 45 52.215 52.215 52.388 -0.173 17551 7300 1 11 . 1 1 45 45 ASN CB C 45 38.700 38.700 40.514 -1.814 17551 7301 1 11 . 1 1 45 45 ASN H H 45 8.854 8.854 8.211 0.643 17551 7302 1 11 . 1 1 46 46 ASP N N 46 120.842 120.842 120.878 -0.036 17551 7303 1 11 . 1 1 46 46 ASP HA H 46 5.185 5.185 5.191 -0.006 17551 7304 1 11 . 1 1 46 46 ASP C C 46 174.705 174.705 174.323 0.382 17551 7305 1 11 . 1 1 46 46 ASP CA C 46 53.658 53.658 52.795 0.863 17551 7306 1 11 . 1 1 46 46 ASP CB C 46 41.025 41.025 41.702 -0.677 17551 7307 1 11 . 1 1 46 46 ASP H H 46 7.921 7.921 7.548 0.373 17551 7308 1 11 . 1 1 47 47 PHE N N 47 121.470 121.470 125.254 -3.784 17551 7309 1 11 . 1 1 47 47 PHE HA H 47 5.161 5.161 5.375 -0.214 17551 7310 1 11 . 1 1 47 47 PHE C C 47 177.125 177.125 175.752 1.373 17551 7311 1 11 . 1 1 47 47 PHE CA C 47 56.591 56.591 55.584 1.006 17551 7312 1 11 . 1 1 47 47 PHE CB C 47 44.035 44.035 41.544 2.491 17551 7313 1 11 . 1 1 47 47 PHE H H 47 9.263 9.263 8.567 0.696 17551 7314 1 11 . 1 1 48 48 THR N N 48 116.950 116.950 114.132 2.818 17551 7315 1 11 . 1 1 48 48 THR HA H 48 4.861 4.861 4.833 0.028 17551 7316 1 11 . 1 1 48 48 THR C C 48 172.499 172.499 174.144 -1.645 17551 7317 1 11 . 1 1 48 48 THR CA C 48 62.943 62.943 60.948 1.995 17551 7318 1 11 . 1 1 48 48 THR CB C 48 70.360 70.360 70.548 -0.188 17551 7319 1 11 . 1 1 48 48 THR H H 48 8.831 8.831 8.405 0.426 17551 7320 1 11 . 1 1 49 49 TRP N N 49 132.266 132.266 126.769 5.497 17551 7321 1 11 . 1 1 49 49 TRP HA H 49 4.955 4.955 5.083 -0.129 17551 7322 1 11 . 1 1 49 49 TRP C C 49 175.842 175.842 174.947 0.895 17551 7323 1 11 . 1 1 49 49 TRP CA C 49 57.286 57.286 56.339 0.947 17551 7324 1 11 . 1 1 49 49 TRP CB C 49 31.894 31.894 32.275 -0.381 17551 7325 1 11 . 1 1 49 49 TRP H H 49 9.914 9.914 9.487 0.427 17551 7326 1 11 . 1 1 50 50 THR N N 50 131.707 131.707 123.455 8.252 17551 7327 1 11 . 1 1 50 50 THR HA H 50 5.928 5.928 4.829 1.099 17551 7328 1 11 . 1 1 50 50 THR C C 50 173.408 173.408 173.154 0.254 17551 7329 1 11 . 1 1 50 50 THR CA C 50 60.993 60.993 61.646 -0.653 17551 7330 1 11 . 1 1 50 50 THR CB C 50 70.957 70.957 70.149 0.808 17551 7331 1 11 . 1 1 50 50 THR H H 50 9.524 9.524 8.146 1.378 17551 7332 1 11 . 1 1 51 51 GLN N N 51 124.680 124.680 126.874 -2.194 17551 7333 1 11 . 1 1 51 51 GLN HA H 51 5.056 5.056 5.191 -0.135 17551 7334 1 11 . 1 1 51 51 GLN C C 51 175.328 175.328 174.706 0.622 17551 7335 1 11 . 1 1 51 51 GLN CA C 51 56.309 56.309 54.492 1.817 17551 7336 1 11 . 1 1 51 51 GLN CB C 51 29.046 29.046 30.327 -1.281 17551 7337 1 11 . 1 1 51 51 GLN H H 51 9.456 9.456 9.335 0.121 17551 7338 1 11 . 1 1 52 52 HIS N N 52 122.268 122.268 125.101 -2.833 17551 7339 1 11 . 1 1 52 52 HIS HA H 52 5.051 5.051 4.918 0.133 17551 7340 1 11 . 1 1 52 52 HIS C C 52 174.819 174.819 174.110 0.709 17551 7341 1 11 . 1 1 52 52 HIS CA C 52 54.039 54.039 55.018 -0.979 17551 7342 1 11 . 1 1 52 52 HIS CB C 52 29.432 29.432 31.932 -2.500 17551 7343 1 11 . 1 1 52 52 HIS H H 52 9.534 9.534 9.117 0.417 17551 7344 1 11 . 1 1 53 53 PHE N N 53 129.837 129.837 125.979 3.858 17551 7345 1 11 . 1 1 53 53 PHE HA H 53 4.584 4.584 4.965 -0.381 17551 7346 1 11 . 1 1 53 53 PHE CA C 53 56.312 56.312 53.734 2.578 17551 7347 1 11 . 1 1 53 53 PHE CB C 53 40.660 40.660 41.545 -0.885 17551 7348 1 11 . 1 1 53 53 PHE H H 53 8.641 8.641 8.520 0.121 17551 7349 1 11 . 1 1 54 54 PRO HA H 54 4.291 4.291 4.332 -0.041 17551 7350 1 11 . 1 1 54 54 PRO C C 54 177.389 177.389 176.617 0.772 17551 7351 1 11 . 1 1 54 54 PRO CA C 54 63.569 63.569 63.604 -0.035 17551 7352 1 11 . 1 1 54 54 PRO CB C 54 30.471 30.471 31.019 -0.548 17551 7353 1 11 . 1 1 55 55 GLY N N 55 113.867 113.867 112.865 1.002 17551 7354 1 11 . 1 1 55 55 GLY C C 55 175.164 175.164 174.081 1.083 17551 7355 1 11 . 1 1 55 55 GLY CA C 55 45.258 45.258 45.077 0.181 17551 7356 1 11 . 1 1 55 55 GLY H H 55 8.926 8.926 8.553 0.373 17551 7357 1 11 . 1 1 56 56 GLY N N 56 108.877 108.877 108.674 0.203 17551 7358 1 11 . 1 1 56 56 GLY C C 56 174.054 174.054 172.824 1.230 17551 7359 1 11 . 1 1 56 56 GLY CA C 56 44.534 44.534 44.686 -0.152 17551 7360 1 11 . 1 1 56 56 GLY H H 56 8.426 8.426 7.845 0.581 17551 7361 1 11 . 1 1 57 57 ARG N N 57 123.871 123.871 118.551 5.320 17551 7362 1 11 . 1 1 57 57 ARG HA H 57 4.483 4.483 4.528 -0.045 17551 7363 1 11 . 1 1 57 57 ARG C C 57 176.728 176.728 175.808 0.920 17551 7364 1 11 . 1 1 57 57 ARG CA C 57 56.217 56.217 56.415 -0.198 17551 7365 1 11 . 1 1 57 57 ARG CB C 57 31.388 31.388 30.737 0.651 17551 7366 1 11 . 1 1 57 57 ARG H H 57 8.474 8.474 8.528 -0.054 17551 7367 1 11 . 1 1 58 58 THR N N 58 122.156 122.156 117.148 5.008 17551 7368 1 11 . 1 1 58 58 THR HA H 58 5.299 5.299 4.706 0.593 17551 7369 1 11 . 1 1 58 58 THR C C 58 174.092 174.092 174.439 -0.347 17551 7370 1 11 . 1 1 58 58 THR CA C 58 62.125 62.125 60.702 1.423 17551 7371 1 11 . 1 1 58 58 THR CB C 58 70.339 70.339 70.390 -0.051 17551 7372 1 11 . 1 1 58 58 THR H H 58 8.818 8.818 8.310 0.508 17551 7373 1 11 . 1 1 59 59 THR N N 59 127.287 127.287 121.652 5.635 17551 7374 1 11 . 1 1 59 59 THR HA H 59 4.505 4.505 4.742 -0.237 17551 7375 1 11 . 1 1 59 59 THR C C 59 172.626 172.626 173.089 -0.463 17551 7376 1 11 . 1 1 59 59 THR CA C 59 62.163 62.163 61.630 0.533 17551 7377 1 11 . 1 1 59 59 THR CB C 59 70.565 70.565 71.836 -1.271 17551 7378 1 11 . 1 1 59 59 THR H H 59 9.281 9.281 8.868 0.413 17551 7379 1 11 . 1 1 60 60 THR N N 60 123.658 123.658 120.820 2.838 17551 7380 1 11 . 1 1 60 60 THR HA H 60 5.105 5.105 5.205 -0.100 17551 7381 1 11 . 1 1 60 60 THR C C 60 172.453 172.453 173.455 -1.002 17551 7382 1 11 . 1 1 60 60 THR CA C 60 61.277 61.277 60.806 0.471 17551 7383 1 11 . 1 1 60 60 THR CB C 60 70.432 70.432 72.165 -1.733 17551 7384 1 11 . 1 1 60 60 THR H H 60 8.952 8.952 8.551 0.401 17551 7385 1 11 . 1 1 61 61 ASN N N 61 124.292 124.292 123.044 1.248 17551 7386 1 11 . 1 1 61 61 ASN HA H 61 5.384 5.384 5.032 0.352 17551 7387 1 11 . 1 1 61 61 ASN C C 61 173.609 173.609 173.139 0.470 17551 7388 1 11 . 1 1 61 61 ASN CA C 61 52.190 52.190 52.696 -0.506 17551 7389 1 11 . 1 1 61 61 ASN CB C 61 43.987 43.987 41.821 2.166 17551 7390 1 11 . 1 1 61 61 ASN H H 61 8.848 8.848 8.961 -0.113 17551 7391 1 11 . 1 1 62 62 SER N N 62 118.046 118.046 114.700 3.346 17551 7392 1 11 . 1 1 62 62 SER HA H 62 5.659 5.659 5.232 0.427 17551 7393 1 11 . 1 1 62 62 SER C C 62 172.545 172.545 173.075 -0.530 17551 7394 1 11 . 1 1 62 62 SER CA C 62 56.974 56.974 57.385 -0.410 17551 7395 1 11 . 1 1 62 62 SER CB C 62 64.719 64.719 65.384 -0.665 17551 7396 1 11 . 1 1 62 62 SER H H 62 8.986 8.986 8.495 0.491 17551 7397 1 11 . 1 1 63 63 PHE N N 63 118.769 118.769 119.708 -0.939 17551 7398 1 11 . 1 1 63 63 PHE HA H 63 5.016 5.016 5.017 -0.001 17551 7399 1 11 . 1 1 63 63 PHE C C 63 172.500 172.500 173.613 -1.113 17551 7400 1 11 . 1 1 63 63 PHE CA C 63 55.793 55.793 56.444 -0.651 17551 7401 1 11 . 1 1 63 63 PHE CB C 63 39.459 39.459 41.339 -1.880 17551 7402 1 11 . 1 1 63 63 PHE H H 63 8.514 8.514 8.455 0.059 17551 7403 1 11 . 1 1 64 64 THR N N 64 120.318 120.318 119.061 1.257 17551 7404 1 11 . 1 1 64 64 THR HA H 64 5.617 5.617 4.923 0.694 17551 7405 1 11 . 1 1 64 64 THR C C 64 175.240 175.240 174.755 0.485 17551 7406 1 11 . 1 1 64 64 THR CA C 64 60.409 60.409 61.510 -1.101 17551 7407 1 11 . 1 1 64 64 THR CB C 64 71.213 71.213 69.990 1.222 17551 7408 1 11 . 1 1 64 64 THR H H 64 9.743 9.743 8.771 0.972 17551 7409 1 11 . 1 1 65 65 ILE N N 65 127.640 127.640 127.779 -0.139 17551 7410 1 11 . 1 1 65 65 ILE HA H 65 4.089 4.089 3.894 0.195 17551 7411 1 11 . 1 1 65 65 ILE C C 65 176.477 176.477 177.430 -0.953 17551 7412 1 11 . 1 1 65 65 ILE CA C 65 59.299 59.299 61.732 -2.433 17551 7413 1 11 . 1 1 65 65 ILE CB C 65 35.445 35.445 36.303 -0.858 17551 7414 1 11 . 1 1 65 65 ILE H H 65 8.961 8.961 9.036 -0.075 17551 7415 1 11 . 1 1 66 66 ASP N N 66 117.361 117.361 125.128 -7.767 17551 7416 1 11 . 1 1 66 66 ASP HA H 66 4.080 4.080 4.212 -0.132 17551 7417 1 11 . 1 1 66 66 ASP C C 66 174.730 174.730 174.471 0.259 17551 7418 1 11 . 1 1 66 66 ASP CA C 66 57.150 57.150 55.802 1.348 17551 7419 1 11 . 1 1 66 66 ASP CB C 66 38.442 38.442 40.546 -2.104 17551 7420 1 11 . 1 1 66 66 ASP H H 66 9.264 9.264 9.349 -0.085 17551 7421 1 11 . 1 1 67 67 LYS N N 67 121.171 121.171 119.180 1.991 17551 7422 1 11 . 1 1 67 67 LYS HA H 67 4.805 4.805 4.616 0.189 17551 7423 1 11 . 1 1 67 67 LYS C C 67 175.115 175.115 174.946 0.169 17551 7424 1 11 . 1 1 67 67 LYS CA C 67 53.900 53.900 54.553 -0.653 17551 7425 1 11 . 1 1 67 67 LYS CB C 67 34.256 34.256 35.435 -1.179 17551 7426 1 11 . 1 1 67 67 LYS H H 67 8.185 8.185 7.747 0.438 17551 7427 1 11 . 1 1 68 68 GLU N N 68 130.373 130.373 125.246 5.127 17551 7428 1 11 . 1 1 68 68 GLU HA H 68 4.194 4.194 4.519 -0.325 17551 7429 1 11 . 1 1 68 68 GLU C C 68 175.449 175.449 175.637 -0.188 17551 7430 1 11 . 1 1 68 68 GLU CA C 68 58.343 58.343 56.598 1.745 17551 7431 1 11 . 1 1 68 68 GLU H H 68 8.879 8.879 8.668 0.211 17551 7432 1 11 . 1 1 69 69 ALA N N 69 130.113 130.113 125.160 4.953 17551 7433 1 11 . 1 1 69 69 ALA HA H 69 4.924 4.924 4.621 0.303 17551 7434 1 11 . 1 1 69 69 ALA C C 69 175.797 175.797 175.404 0.393 17551 7435 1 11 . 1 1 69 69 ALA CA C 69 50.151 50.151 50.536 -0.385 17551 7436 1 11 . 1 1 69 69 ALA CB C 69 22.239 22.239 22.904 -0.665 17551 7437 1 11 . 1 1 69 69 ALA H H 69 8.864 8.864 8.889 -0.025 17551 7438 1 11 . 1 1 70 70 ASP N N 70 120.889 120.889 122.335 -1.446 17551 7439 1 11 . 1 1 70 70 ASP HA H 70 4.852 4.852 5.117 -0.265 17551 7440 1 11 . 1 1 70 70 ASP C C 70 175.541 175.541 175.438 0.103 17551 7441 1 11 . 1 1 70 70 ASP CA C 70 54.211 54.211 54.576 -0.365 17551 7442 1 11 . 1 1 70 70 ASP CB C 70 41.052 41.052 41.979 -0.927 17551 7443 1 11 . 1 1 70 70 ASP H H 70 8.319 8.319 8.727 -0.408 17551 7444 1 11 . 1 1 71 71 MET N N 71 125.005 125.005 122.274 2.731 17551 7445 1 11 . 1 1 71 71 MET HA H 71 4.743 4.743 4.681 0.062 17551 7446 1 11 . 1 1 71 71 MET C C 71 174.047 174.047 173.331 0.716 17551 7447 1 11 . 1 1 71 71 MET CA C 71 54.265 54.265 54.120 0.145 17551 7448 1 11 . 1 1 71 71 MET CB C 71 39.844 39.844 36.581 3.263 17551 7449 1 11 . 1 1 71 71 MET H H 71 8.796 8.796 8.627 0.169 17551 7450 1 11 . 1 1 72 72 GLU N N 72 118.909 118.909 120.051 -1.142 17551 7451 1 11 . 1 1 72 72 GLU HA H 72 5.613 5.613 5.605 0.008 17551 7452 1 11 . 1 1 72 72 GLU C C 72 176.109 176.109 175.133 0.976 17551 7453 1 11 . 1 1 72 72 GLU CA C 72 53.790 53.790 54.272 -0.482 17551 7454 1 11 . 1 1 72 72 GLU CB C 72 33.986 33.986 33.191 0.795 17551 7455 1 11 . 1 1 72 72 GLU H H 72 9.225 9.225 8.098 1.127 17551 7456 1 11 . 1 1 73 73 THR N N 73 109.667 109.667 116.748 -7.081 17551 7457 1 11 . 1 1 73 73 THR HA H 73 4.538 4.538 4.726 -0.188 17551 7458 1 11 . 1 1 73 73 THR C C 73 176.660 176.660 175.667 0.993 17551 7459 1 11 . 1 1 73 73 THR CA C 73 59.666 59.666 60.382 -0.716 17551 7460 1 11 . 1 1 73 73 THR CB C 73 69.710 69.710 70.521 -0.811 17551 7461 1 11 . 1 1 73 73 THR H H 73 8.904 8.904 8.894 0.010 17551 7462 1 11 . 1 1 74 74 MET N N 74 117.519 117.519 120.131 -2.612 17551 7463 1 11 . 1 1 74 74 MET HA H 74 4.776 4.776 4.404 0.372 17551 7464 1 11 . 1 1 74 74 MET C C 74 176.641 176.641 176.140 0.501 17551 7465 1 11 . 1 1 74 74 MET CA C 74 58.631 58.631 56.662 1.969 17551 7466 1 11 . 1 1 74 74 MET H H 74 8.206 8.206 8.684 -0.478 17551 7467 1 11 . 1 1 75 75 GLY N N 75 103.810 103.810 104.229 -0.419 17551 7468 1 11 . 1 1 75 75 GLY C C 75 173.956 173.956 175.254 -1.298 17551 7469 1 11 . 1 1 75 75 GLY CA C 75 43.728 43.728 44.577 -0.849 17551 7470 1 11 . 1 1 75 75 GLY H H 75 8.067 8.067 7.532 0.535 17551 7471 1 11 . 1 1 76 76 GLY N N 76 108.498 108.498 109.169 -0.671 17551 7472 1 11 . 1 1 76 76 GLY C C 76 173.267 173.267 174.361 -1.094 17551 7473 1 11 . 1 1 76 76 GLY CA C 76 44.563 44.563 44.776 -0.213 17551 7474 1 11 . 1 1 76 76 GLY H H 76 7.702 7.702 7.655 0.047 17551 7475 1 11 . 1 1 77 77 ARG N N 77 121.161 121.161 120.835 0.326 17551 7476 1 11 . 1 1 77 77 ARG HA H 77 4.348 4.348 4.507 -0.159 17551 7477 1 11 . 1 1 77 77 ARG C C 77 176.083 176.083 175.387 0.696 17551 7478 1 11 . 1 1 77 77 ARG CA C 77 55.350 55.350 55.094 0.255 17551 7479 1 11 . 1 1 77 77 ARG CB C 77 30.904 30.904 31.479 -0.575 17551 7480 1 11 . 1 1 77 77 ARG H H 77 7.328 7.328 7.787 -0.459 17551 7481 1 11 . 1 1 78 78 LYS N N 78 126.790 126.790 125.422 1.368 17551 7482 1 11 . 1 1 78 78 LYS HA H 78 5.147 5.147 5.131 0.016 17551 7483 1 11 . 1 1 78 78 LYS C C 78 176.961 176.961 176.208 0.753 17551 7484 1 11 . 1 1 78 78 LYS CA C 78 55.487 55.487 55.930 -0.443 17551 7485 1 11 . 1 1 78 78 LYS CB C 78 32.769 32.769 33.524 -0.755 17551 7486 1 11 . 1 1 78 78 LYS H H 78 8.771 8.771 8.673 0.098 17551 7487 1 11 . 1 1 79 79 PHE N N 79 119.480 119.480 121.510 -2.030 17551 7488 1 11 . 1 1 79 79 PHE HA H 79 4.898 4.898 4.992 -0.094 17551 7489 1 11 . 1 1 79 79 PHE C C 79 171.587 171.587 173.329 -1.742 17551 7490 1 11 . 1 1 79 79 PHE CA C 79 55.817 55.817 56.373 -0.556 17551 7491 1 11 . 1 1 79 79 PHE CB C 79 40.702 40.702 41.855 -1.153 17551 7492 1 11 . 1 1 79 79 PHE H H 79 8.794 8.794 8.602 0.192 17551 7493 1 11 . 1 1 80 80 LYS N N 80 119.760 119.760 119.668 0.092 17551 7494 1 11 . 1 1 80 80 LYS HA H 80 5.460 5.460 5.509 -0.049 17551 7495 1 11 . 1 1 80 80 LYS C C 80 176.538 176.538 175.751 0.787 17551 7496 1 11 . 1 1 80 80 LYS CA C 80 53.988 53.988 55.027 -1.039 17551 7497 1 11 . 1 1 80 80 LYS CB C 80 35.754 35.754 35.336 0.418 17551 7498 1 11 . 1 1 80 80 LYS H H 80 8.414 8.414 8.461 -0.047 17551 7499 1 11 . 1 1 81 81 ALA N N 81 121.171 121.171 126.726 -5.555 17551 7500 1 11 . 1 1 81 81 ALA HA H 81 4.738 4.738 4.586 0.152 17551 7501 1 11 . 1 1 81 81 ALA C C 81 175.290 175.290 175.061 0.229 17551 7502 1 11 . 1 1 81 81 ALA CA C 81 51.262 51.262 51.197 0.065 17551 7503 1 11 . 1 1 81 81 ALA CB C 81 22.568 22.568 21.963 0.605 17551 7504 1 11 . 1 1 81 81 ALA H H 81 8.525 8.525 8.911 -0.386 17551 7505 1 11 . 1 1 82 82 THR N N 82 117.970 117.970 115.926 2.044 17551 7506 1 11 . 1 1 82 82 THR HA H 82 4.292 4.292 4.639 -0.347 17551 7507 1 11 . 1 1 82 82 THR C C 82 172.556 172.556 173.394 -0.838 17551 7508 1 11 . 1 1 82 82 THR CA C 82 61.640 61.640 61.478 0.162 17551 7509 1 11 . 1 1 82 82 THR CB C 82 68.485 68.485 69.688 -1.203 17551 7510 1 11 . 1 1 82 82 THR H H 82 8.448 8.448 8.414 0.034 17551 7511 1 11 . 1 1 83 83 VAL N N 83 131.564 131.564 124.165 7.399 17551 7512 1 11 . 1 1 83 83 VAL HA H 83 3.784 3.784 4.582 -0.798 17551 7513 1 11 . 1 1 83 83 VAL C C 83 174.167 174.167 174.659 -0.492 17551 7514 1 11 . 1 1 83 83 VAL CA C 83 62.059 62.059 60.722 1.337 17551 7515 1 11 . 1 1 83 83 VAL CB C 83 31.076 31.076 33.934 -2.858 17551 7516 1 11 . 1 1 83 83 VAL H H 83 9.722 9.722 8.018 1.704 17551 7517 1 11 . 1 1 84 84 LYS N N 84 125.930 125.930 124.376 1.554 17551 7518 1 11 . 1 1 84 84 LYS HA H 84 4.851 4.851 4.754 0.097 17551 7519 1 11 . 1 1 84 84 LYS C C 84 175.025 175.025 174.194 0.831 17551 7520 1 11 . 1 1 84 84 LYS CA C 84 54.213 54.213 54.201 0.012 17551 7521 1 11 . 1 1 84 84 LYS CB C 84 35.076 35.076 35.584 -0.508 17551 7522 1 11 . 1 1 84 84 LYS H H 84 8.541 8.541 9.243 -0.702 17551 7523 1 11 . 1 1 85 85 MET N N 85 119.366 119.366 119.718 -0.352 17551 7524 1 11 . 1 1 85 85 MET HA H 85 5.517 5.517 5.169 0.348 17551 7525 1 11 . 1 1 85 85 MET C C 85 175.698 175.698 175.294 0.404 17551 7526 1 11 . 1 1 85 85 MET CA C 85 54.256 54.256 54.595 -0.339 17551 7527 1 11 . 1 1 85 85 MET CB C 85 35.406 35.406 36.494 -1.088 17551 7528 1 11 . 1 1 85 85 MET H H 85 8.992 8.992 8.384 0.608 17551 7529 1 11 . 1 1 86 86 GLU N N 86 125.741 125.741 121.477 4.264 17551 7530 1 11 . 1 1 86 86 GLU HA H 86 4.654 4.654 4.651 0.003 17551 7531 1 11 . 1 1 86 86 GLU C C 86 177.223 177.223 176.916 0.307 17551 7532 1 11 . 1 1 86 86 GLU CA C 86 54.213 54.213 55.521 -1.308 17551 7533 1 11 . 1 1 86 86 GLU CB C 86 31.578 31.578 29.940 1.638 17551 7534 1 11 . 1 1 86 86 GLU H H 86 9.063 9.063 9.226 -0.163 17551 7535 1 11 . 1 1 87 87 GLY N N 87 117.720 117.720 113.406 4.314 17551 7536 1 11 . 1 1 87 87 GLY C C 87 175.275 175.275 175.270 0.005 17551 7537 1 11 . 1 1 87 87 GLY CA C 87 46.902 46.902 45.045 1.857 17551 7538 1 11 . 1 1 87 87 GLY H H 87 9.300 9.300 8.947 0.353 17551 7539 1 11 . 1 1 88 88 GLY N N 88 109.070 109.070 104.949 4.121 17551 7540 1 11 . 1 1 88 88 GLY C C 88 172.863 172.863 173.634 -0.771 17551 7541 1 11 . 1 1 88 88 GLY CA C 88 44.853 44.853 44.898 -0.045 17551 7542 1 11 . 1 1 88 88 GLY H H 88 8.739 8.739 8.432 0.307 17551 7543 1 11 . 1 1 89 89 LYS N N 89 120.150 120.150 119.227 0.923 17551 7544 1 11 . 1 1 89 89 LYS HA H 89 5.113 5.113 5.175 -0.062 17551 7545 1 11 . 1 1 89 89 LYS C C 89 175.487 175.487 175.780 -0.293 17551 7546 1 11 . 1 1 89 89 LYS CA C 89 54.363 54.363 54.475 -0.112 17551 7547 1 11 . 1 1 89 89 LYS CB C 89 33.753 33.753 34.464 -0.711 17551 7548 1 11 . 1 1 89 89 LYS H H 89 7.853 7.853 7.175 0.678 17551 7549 1 11 . 1 1 90 90 ILE N N 90 124.537 124.537 126.176 -1.639 17551 7550 1 11 . 1 1 90 90 ILE HA H 90 4.489 4.489 4.373 0.116 17551 7551 1 11 . 1 1 90 90 ILE C C 90 175.679 175.679 175.140 0.539 17551 7552 1 11 . 1 1 90 90 ILE CA C 90 60.930 60.930 61.450 -0.520 17551 7553 1 11 . 1 1 90 90 ILE CB C 90 38.367 38.367 37.698 0.669 17551 7554 1 11 . 1 1 90 90 ILE H H 90 9.081 9.081 9.169 -0.088 17551 7555 1 11 . 1 1 91 91 VAL N N 91 124.871 124.871 128.304 -3.433 17551 7556 1 11 . 1 1 91 91 VAL HA H 91 4.591 4.591 5.278 -0.687 17551 7557 1 11 . 1 1 91 91 VAL C C 91 173.890 173.890 173.458 0.432 17551 7558 1 11 . 1 1 91 91 VAL CA C 91 60.743 60.743 58.637 2.106 17551 7559 1 11 . 1 1 91 91 VAL CB C 91 35.279 35.279 35.537 -0.258 17551 7560 1 11 . 1 1 91 91 VAL H H 91 8.786 8.786 8.884 -0.098 17551 7561 1 11 . 1 1 92 92 ALA N N 92 129.590 129.590 130.655 -1.065 17551 7562 1 11 . 1 1 92 92 ALA HA H 92 4.563 4.563 4.689 -0.126 17551 7563 1 11 . 1 1 92 92 ALA C C 92 173.855 173.855 175.194 -1.339 17551 7564 1 11 . 1 1 92 92 ALA CA C 92 49.864 49.864 49.756 0.108 17551 7565 1 11 . 1 1 92 92 ALA CB C 92 21.948 21.948 22.009 -0.060 17551 7566 1 11 . 1 1 92 92 ALA H H 92 9.228 9.228 8.969 0.259 17551 7567 1 11 . 1 1 93 93 ASP N N 93 121.654 121.654 122.480 -0.826 17551 7568 1 11 . 1 1 93 93 ASP HA H 93 5.342 5.342 4.801 0.541 17551 7569 1 11 . 1 1 93 93 ASP C C 93 173.521 173.521 174.629 -1.108 17551 7570 1 11 . 1 1 93 93 ASP CA C 93 53.658 53.658 53.886 -0.228 17551 7571 1 11 . 1 1 93 93 ASP CB C 93 44.462 44.462 42.405 2.057 17551 7572 1 11 . 1 1 93 93 ASP H H 93 8.326 8.326 7.772 0.554 17551 7573 1 11 . 1 1 94 94 PHE N N 94 122.296 122.296 123.281 -0.985 17551 7574 1 11 . 1 1 94 94 PHE HA H 94 5.024 5.024 4.828 0.196 17551 7575 1 11 . 1 1 94 94 PHE CA C 94 53.952 53.952 55.579 -1.627 17551 7576 1 11 . 1 1 94 94 PHE CB C 94 38.958 38.958 42.580 -3.622 17551 7577 1 11 . 1 1 94 94 PHE H H 94 8.776 8.776 7.904 0.872 17551 7578 1 11 . 1 1 95 95 PRO HA H 95 4.396 4.396 4.472 -0.076 17551 7579 1 11 . 1 1 95 95 PRO C C 95 177.375 177.375 176.906 0.469 17551 7580 1 11 . 1 1 95 95 PRO CA C 95 64.386 64.386 63.987 0.399 17551 7581 1 11 . 1 1 95 95 PRO CB C 95 30.432 30.432 31.133 -0.701 17551 7582 1 11 . 1 1 96 96 ASN N N 96 120.924 120.924 119.940 0.984 17551 7583 1 11 . 1 1 96 96 ASN HA H 96 4.619 4.619 4.325 0.294 17551 7584 1 11 . 1 1 96 96 ASN C C 96 174.189 174.189 173.592 0.597 17551 7585 1 11 . 1 1 96 96 ASN CA C 96 53.442 53.442 54.512 -1.070 17551 7586 1 11 . 1 1 96 96 ASN CB C 96 38.069 38.069 37.930 0.139 17551 7587 1 11 . 1 1 96 96 ASN H H 96 9.183 9.183 9.072 0.111 17551 7588 1 11 . 1 1 97 97 TYR N N 97 120.943 120.943 119.824 1.119 17551 7589 1 11 . 1 1 97 97 TYR HA H 97 4.804 4.804 5.778 -0.974 17551 7590 1 11 . 1 1 97 97 TYR C C 97 172.713 172.713 173.869 -1.156 17551 7591 1 11 . 1 1 97 97 TYR CA C 97 59.314 59.314 56.606 2.708 17551 7592 1 11 . 1 1 97 97 TYR CB C 97 40.512 40.512 41.213 -0.701 17551 7593 1 11 . 1 1 97 97 TYR H H 97 8.066 8.066 7.479 0.587 17551 7594 1 11 . 1 1 98 98 HIS N N 98 128.370 128.370 128.135 0.235 17551 7595 1 11 . 1 1 98 98 HIS HA H 98 5.466 5.466 5.208 0.258 17551 7596 1 11 . 1 1 98 98 HIS C C 98 172.821 172.821 173.553 -0.732 17551 7597 1 11 . 1 1 98 98 HIS CA C 98 54.311 54.311 54.920 -0.609 17551 7598 1 11 . 1 1 98 98 HIS CB C 98 31.053 31.053 32.226 -1.173 17551 7599 1 11 . 1 1 98 98 HIS H H 98 8.786 8.786 8.867 -0.081 17551 7600 1 11 . 1 1 99 99 HIS N N 99 130.146 130.146 128.955 1.191 17551 7601 1 11 . 1 1 99 99 HIS HA H 99 5.689 5.689 5.629 0.060 17551 7602 1 11 . 1 1 99 99 HIS C C 99 173.405 173.405 174.279 -0.874 17551 7603 1 11 . 1 1 99 99 HIS CA C 99 55.101 55.101 54.249 0.852 17551 7604 1 11 . 1 1 99 99 HIS CB C 99 34.888 34.888 31.627 3.261 17551 7605 1 11 . 1 1 99 99 HIS H H 99 8.963 8.963 8.292 0.671 17551 7606 1 11 . 1 1 100 100 THR N N 100 117.843 117.843 119.930 -2.087 17551 7607 1 11 . 1 1 100 100 THR HA H 100 5.597 5.597 5.652 -0.055 17551 7608 1 11 . 1 1 100 100 THR C C 100 172.563 172.563 172.866 -0.303 17551 7609 1 11 . 1 1 100 100 THR CA C 100 57.863 57.863 59.553 -1.690 17551 7610 1 11 . 1 1 100 100 THR CB C 100 71.830 71.830 71.507 0.323 17551 7611 1 11 . 1 1 100 100 THR H H 100 8.871 8.871 8.863 0.008 17551 7612 1 11 . 1 1 101 101 ALA N N 101 121.591 121.591 127.287 -5.696 17551 7613 1 11 . 1 1 101 101 ALA HA H 101 5.318 5.318 5.394 -0.076 17551 7614 1 11 . 1 1 101 101 ALA C C 101 175.540 175.540 175.538 0.002 17551 7615 1 11 . 1 1 101 101 ALA CA C 101 50.320 50.320 50.112 0.208 17551 7616 1 11 . 1 1 101 101 ALA CB C 101 22.819 22.819 22.340 0.479 17551 7617 1 11 . 1 1 101 101 ALA H H 101 8.825 8.825 9.165 -0.340 17551 7618 1 11 . 1 1 102 102 GLU N N 102 118.491 118.491 120.467 -1.976 17551 7619 1 11 . 1 1 102 102 GLU HA H 102 5.194 5.194 4.989 0.205 17551 7620 1 11 . 1 1 102 102 GLU C C 102 172.497 172.497 174.171 -1.674 17551 7621 1 11 . 1 1 102 102 GLU CA C 102 53.879 53.879 54.568 -0.689 17551 7622 1 11 . 1 1 102 102 GLU H H 102 8.785 8.785 8.304 0.481 17551 7623 1 11 . 1 1 103 103 ILE N N 103 121.813 121.813 120.577 1.236 17551 7624 1 11 . 1 1 103 103 ILE HA H 103 5.129 5.129 5.098 0.031 17551 7625 1 11 . 1 1 103 103 ILE C C 103 177.119 177.119 175.933 1.186 17551 7626 1 11 . 1 1 103 103 ILE CA C 103 56.631 56.631 59.138 -2.507 17551 7627 1 11 . 1 1 103 103 ILE CB C 103 34.564 34.564 37.887 -3.323 17551 7628 1 11 . 1 1 103 103 ILE H H 103 8.442 8.442 8.459 -0.017 17551 7629 1 11 . 1 1 104 104 SER N N 104 122.295 122.295 123.536 -1.241 17551 7630 1 11 . 1 1 104 104 SER HA H 104 4.783 4.783 4.589 0.194 17551 7631 1 11 . 1 1 104 104 SER CA C 104 55.521 55.521 57.620 -2.099 17551 7632 1 11 . 1 1 104 104 SER CB C 104 63.426 63.426 63.844 -0.418 17551 7633 1 11 . 1 1 104 104 SER H H 104 9.119 9.119 8.911 0.208 17551 7634 1 11 . 1 1 105 105 GLY C C 105 175.730 175.730 174.869 0.861 17551 7635 1 11 . 1 1 105 105 GLY CA C 105 46.925 46.925 44.874 2.051 17551 7636 1 11 . 1 1 106 106 GLY N N 106 105.123 105.123 104.889 0.234 17551 7637 1 11 . 1 1 106 106 GLY C C 106 173.229 173.229 172.998 0.231 17551 7638 1 11 . 1 1 106 106 GLY CA C 106 44.771 44.771 45.214 -0.443 17551 7639 1 11 . 1 1 106 106 GLY H H 106 8.476 8.476 8.390 0.086 17551 7640 1 11 . 1 1 107 107 LYS N N 107 119.187 119.187 117.543 1.644 17551 7641 1 11 . 1 1 107 107 LYS HA H 107 4.856 4.856 4.866 -0.010 17551 7642 1 11 . 1 1 107 107 LYS C C 107 174.072 174.072 174.465 -0.393 17551 7643 1 11 . 1 1 107 107 LYS CA C 107 54.240 54.240 54.654 -0.414 17551 7644 1 11 . 1 1 107 107 LYS CB C 107 34.508 34.508 36.204 -1.696 17551 7645 1 11 . 1 1 107 107 LYS H H 107 7.639 7.639 7.474 0.165 17551 7646 1 11 . 1 1 108 108 LEU N N 108 122.725 122.725 125.345 -2.620 17551 7647 1 11 . 1 1 108 108 LEU HA H 108 4.793 4.793 4.955 -0.162 17551 7648 1 11 . 1 1 108 108 LEU C C 108 174.906 174.906 175.162 -0.256 17551 7649 1 11 . 1 1 108 108 LEU CA C 108 54.275 54.275 53.239 1.036 17551 7650 1 11 . 1 1 108 108 LEU CB C 108 42.801 42.801 42.490 0.311 17551 7651 1 11 . 1 1 108 108 LEU H H 108 8.481 8.481 8.698 -0.217 17551 7652 1 11 . 1 1 109 109 VAL N N 109 130.844 130.844 128.226 2.618 17551 7653 1 11 . 1 1 109 109 VAL HA H 109 4.953 4.953 4.956 -0.003 17551 7654 1 11 . 1 1 109 109 VAL C C 109 176.004 176.004 174.215 1.789 17551 7655 1 11 . 1 1 109 109 VAL CA C 109 61.541 61.541 59.531 2.010 17551 7656 1 11 . 1 1 109 109 VAL CB C 109 32.721 32.721 33.665 -0.944 17551 7657 1 11 . 1 1 109 109 VAL H H 109 9.391 9.391 8.776 0.615 17551 7658 1 11 . 1 1 110 110 GLU N N 110 130.618 130.618 129.509 1.109 17551 7659 1 11 . 1 1 110 110 GLU HA H 110 5.393 5.393 5.277 0.116 17551 7660 1 11 . 1 1 110 110 GLU C C 110 175.537 175.537 175.392 0.145 17551 7661 1 11 . 1 1 110 110 GLU CA C 110 53.476 53.476 54.774 -1.298 17551 7662 1 11 . 1 1 110 110 GLU H H 110 9.386 9.386 8.758 0.628 17551 7663 1 11 . 1 1 111 111 ILE N N 111 126.952 126.952 126.325 0.627 17551 7664 1 11 . 1 1 111 111 ILE HA H 111 4.910 4.910 4.788 0.122 17551 7665 1 11 . 1 1 111 111 ILE C C 111 175.156 175.156 174.727 0.429 17551 7666 1 11 . 1 1 111 111 ILE CA C 111 59.562 59.562 59.683 -0.121 17551 7667 1 11 . 1 1 111 111 ILE CB C 111 39.029 39.029 40.445 -1.416 17551 7668 1 11 . 1 1 111 111 ILE H H 111 8.912 8.912 9.034 -0.122 17551 7669 1 11 . 1 1 112 112 SER N N 112 125.389 125.389 124.629 0.760 17551 7670 1 11 . 1 1 112 112 SER HA H 112 5.524 5.524 5.349 0.175 17551 7671 1 11 . 1 1 112 112 SER C C 112 172.120 172.120 173.831 -1.711 17551 7672 1 11 . 1 1 112 112 SER CA C 112 55.756 55.756 56.014 -0.258 17551 7673 1 11 . 1 1 112 112 SER CB C 112 64.025 64.025 63.811 0.214 17551 7674 1 11 . 1 1 112 112 SER H H 112 9.495 9.495 9.055 0.440 17551 7675 1 11 . 1 1 113 113 THR N N 113 119.329 119.329 123.022 -3.693 17551 7676 1 11 . 1 1 113 113 THR HA H 113 5.633 5.633 5.322 0.311 17551 7677 1 11 . 1 1 113 113 THR C C 113 174.911 174.911 174.126 0.785 17551 7678 1 11 . 1 1 113 113 THR CA C 113 60.362 60.362 61.319 -0.957 17551 7679 1 11 . 1 1 113 113 THR CB C 113 70.377 70.377 69.759 0.618 17551 7680 1 11 . 1 1 113 113 THR H H 113 9.274 9.274 8.930 0.344 17551 7681 1 11 . 1 1 114 114 SER N N 114 121.027 121.027 120.758 0.269 17551 7682 1 11 . 1 1 114 114 SER HA H 114 4.479 4.479 5.684 -1.205 17551 7683 1 11 . 1 1 114 114 SER C C 114 174.507 174.507 174.682 -0.175 17551 7684 1 11 . 1 1 114 114 SER CA C 114 57.423 57.423 56.776 0.647 17551 7685 1 11 . 1 1 114 114 SER CB C 114 64.798 64.798 65.358 -0.560 17551 7686 1 11 . 1 1 114 114 SER H H 114 8.657 8.657 9.048 -0.391 17551 7687 1 11 . 1 1 115 115 SER N N 115 122.405 122.405 121.999 0.406 17551 7688 1 11 . 1 1 115 115 SER HA H 115 4.092 4.092 4.192 -0.100 17551 7689 1 11 . 1 1 115 115 SER C C 115 174.387 174.387 174.398 -0.011 17551 7690 1 11 . 1 1 115 115 SER CA C 115 58.417 58.417 59.843 -1.426 17551 7691 1 11 . 1 1 115 115 SER CB C 115 61.860 61.860 61.505 0.355 17551 7692 1 11 . 1 1 115 115 SER H H 115 9.265 9.265 9.236 0.029 17551 7693 1 11 . 1 1 116 116 GLY N N 116 103.741 103.741 103.654 0.087 17551 7694 1 11 . 1 1 116 116 GLY C C 116 173.618 173.618 174.159 -0.541 17551 7695 1 11 . 1 1 116 116 GLY CA C 116 44.584 44.584 44.723 -0.139 17551 7696 1 11 . 1 1 116 116 GLY H H 116 8.730 8.730 8.519 0.211 17551 7697 1 11 . 1 1 117 117 VAL N N 117 123.819 123.819 124.478 -0.659 17551 7698 1 11 . 1 1 117 117 VAL HA H 117 4.242 4.242 4.060 0.182 17551 7699 1 11 . 1 1 117 117 VAL C C 117 173.712 173.712 175.008 -1.296 17551 7700 1 11 . 1 1 117 117 VAL CA C 117 61.946 61.946 63.463 -1.517 17551 7701 1 11 . 1 1 117 117 VAL CB C 117 32.244 32.244 32.625 -0.381 17551 7702 1 11 . 1 1 117 117 VAL H H 117 8.177 8.177 7.703 0.474 17551 7703 1 11 . 1 1 118 118 VAL N N 118 127.074 127.074 127.689 -0.615 17551 7704 1 11 . 1 1 118 118 VAL HA H 118 4.519 4.519 4.341 0.178 17551 7705 1 11 . 1 1 118 118 VAL C C 118 174.793 174.793 174.300 0.493 17551 7706 1 11 . 1 1 118 118 VAL CA C 118 61.227 61.227 60.407 0.820 17551 7707 1 11 . 1 1 118 118 VAL CB C 118 32.503 32.503 32.541 -0.038 17551 7708 1 11 . 1 1 118 118 VAL H H 118 8.441 8.441 8.364 0.077 17551 7709 1 11 . 1 1 119 119 TYR N N 119 131.178 131.178 131.457 -0.279 17551 7710 1 11 . 1 1 119 119 TYR HA H 119 5.095 5.095 4.807 0.288 17551 7711 1 11 . 1 1 119 119 TYR C C 119 173.029 173.029 173.726 -0.697 17551 7712 1 11 . 1 1 119 119 TYR CA C 119 54.862 54.862 56.327 -1.465 17551 7713 1 11 . 1 1 119 119 TYR CB C 119 40.213 40.213 40.314 -0.101 17551 7714 1 11 . 1 1 119 119 TYR H H 119 9.315 9.315 9.015 0.300 17551 7715 1 11 . 1 1 120 120 LYS N N 120 126.654 126.654 126.778 -0.124 17551 7716 1 11 . 1 1 120 120 LYS HA H 120 4.922 4.922 5.022 -0.100 17551 7717 1 11 . 1 1 120 120 LYS C C 120 173.813 173.813 174.304 -0.491 17551 7718 1 11 . 1 1 120 120 LYS CA C 120 53.685 53.685 54.478 -0.793 17551 7719 1 11 . 1 1 120 120 LYS CB C 120 36.014 36.014 36.242 -0.228 17551 7720 1 11 . 1 1 120 120 LYS H H 120 7.342 7.342 8.690 -1.348 17551 7721 1 11 . 1 1 121 121 ARG N N 121 124.124 124.124 121.658 2.466 17551 7722 1 11 . 1 1 121 121 ARG HA H 121 4.798 4.798 4.660 0.138 17551 7723 1 11 . 1 1 121 121 ARG C C 121 174.874 174.874 174.468 0.406 17551 7724 1 11 . 1 1 121 121 ARG CB C 121 34.257 34.257 33.142 1.115 17551 7725 1 11 . 1 1 121 121 ARG H H 121 9.087 9.087 8.685 0.402 17551 7726 1 11 . 1 1 122 122 THR N N 122 122.859 122.859 120.913 1.946 17551 7727 1 11 . 1 1 122 122 THR HA H 122 5.224 5.224 5.118 0.106 17551 7728 1 11 . 1 1 122 122 THR C C 122 174.321 174.321 174.002 0.319 17551 7729 1 11 . 1 1 122 122 THR CA C 122 62.177 62.177 61.467 0.710 17551 7730 1 11 . 1 1 122 122 THR CB C 122 69.459 69.459 70.562 -1.103 17551 7731 1 11 . 1 1 122 122 THR H H 122 9.358 9.358 8.120 1.238 17551 7732 1 11 . 1 1 123 123 SER N N 123 123.389 123.389 121.308 2.081 17551 7733 1 11 . 1 1 123 123 SER HA H 123 5.196 5.196 5.425 -0.229 17551 7734 1 11 . 1 1 123 123 SER C C 123 172.464 172.464 173.606 -1.142 17551 7735 1 11 . 1 1 123 123 SER CA C 123 57.571 57.571 57.310 0.261 17551 7736 1 11 . 1 1 123 123 SER CB C 123 65.697 65.697 66.444 -0.747 17551 7737 1 11 . 1 1 123 123 SER H H 123 9.749 9.749 9.200 0.549 17551 7738 1 11 . 1 1 124 124 LYS N N 124 125.058 125.058 123.293 1.765 17551 7739 1 11 . 1 1 124 124 LYS HA H 124 4.681 4.681 4.404 0.277 17551 7740 1 11 . 1 1 124 124 LYS C C 124 175.141 175.141 175.384 -0.243 17551 7741 1 11 . 1 1 124 124 LYS CA C 124 54.444 54.444 56.412 -1.968 17551 7742 1 11 . 1 1 124 124 LYS CB C 124 33.492 33.492 33.636 -0.144 17551 7743 1 11 . 1 1 124 124 LYS H H 124 8.808 8.808 8.826 -0.018 17551 7744 1 11 . 1 1 125 125 LYS N N 125 126.114 126.114 123.202 2.912 17551 7745 1 11 . 1 1 125 125 LYS HA H 125 4.367 4.367 4.697 -0.330 17551 7746 1 11 . 1 1 125 125 LYS C C 125 176.828 176.828 175.571 1.257 17551 7747 1 11 . 1 1 125 125 LYS CA C 125 56.752 56.752 54.954 1.798 17551 7748 1 11 . 1 1 125 125 LYS CB C 125 32.912 32.912 32.564 0.348 17551 7749 1 11 . 1 1 125 125 LYS H H 125 9.215 9.215 8.501 0.714 17551 7750 1 11 . 1 1 126 126 ILE N N 126 125.207 125.207 124.173 1.034 17551 7751 1 11 . 1 1 126 126 ILE HA H 126 4.302 4.302 4.552 -0.250 17551 7752 1 11 . 1 1 126 126 ILE C C 126 175.240 175.240 173.676 1.564 17551 7753 1 11 . 1 1 126 126 ILE CA C 126 60.067 60.067 59.696 0.371 17551 7754 1 11 . 1 1 126 126 ILE CB C 126 38.611 38.611 41.974 -3.363 17551 7755 1 11 . 1 1 126 126 ILE H H 126 8.777 8.777 8.674 0.103 17551 7756 1 12 . 1 1 2 2 PHE N N 2 114.421 114.421 118.849 -4.428 17551 7757 1 12 . 1 1 2 2 PHE HA H 2 4.205 4.205 4.991 -0.786 17551 7758 1 12 . 1 1 2 2 PHE C C 2 177.675 177.675 176.314 1.361 17551 7759 1 12 . 1 1 2 2 PHE CA C 2 59.748 59.748 57.398 2.349 17551 7760 1 12 . 1 1 2 2 PHE CB C 2 41.014 41.014 39.814 1.200 17551 7761 1 12 . 1 1 2 2 PHE H H 2 9.501 9.501 8.398 1.103 17551 7762 1 12 . 1 1 3 3 THR N N 3 118.304 118.304 117.128 1.176 17551 7763 1 12 . 1 1 3 3 THR HA H 3 4.021 4.021 4.468 -0.447 17551 7764 1 12 . 1 1 3 3 THR C C 3 173.811 173.811 174.678 -0.867 17551 7765 1 12 . 1 1 3 3 THR CA C 3 63.646 63.646 63.768 -0.122 17551 7766 1 12 . 1 1 3 3 THR CB C 3 69.230 69.230 68.957 0.273 17551 7767 1 12 . 1 1 3 3 THR H H 3 7.721 7.721 8.034 -0.313 17551 7768 1 12 . 1 1 4 4 GLY N N 4 113.320 113.320 111.234 2.086 17551 7769 1 12 . 1 1 4 4 GLY C C 4 169.382 169.382 171.746 -2.364 17551 7770 1 12 . 1 1 4 4 GLY CA C 4 44.343 44.343 44.563 -0.220 17551 7771 1 12 . 1 1 4 4 GLY H H 4 8.881 8.881 8.529 0.352 17551 7772 1 12 . 1 1 5 5 LYS N N 5 120.330 120.330 120.212 0.118 17551 7773 1 12 . 1 1 5 5 LYS HA H 5 5.255 5.255 5.267 -0.012 17551 7774 1 12 . 1 1 5 5 LYS C C 5 174.306 174.306 174.850 -0.544 17551 7775 1 12 . 1 1 5 5 LYS CA C 5 54.232 54.232 54.323 -0.091 17551 7776 1 12 . 1 1 5 5 LYS CB C 5 35.137 35.137 35.301 -0.164 17551 7777 1 12 . 1 1 5 5 LYS H H 5 7.914 7.914 7.869 0.045 17551 7778 1 12 . 1 1 6 6 TYR N N 6 122.260 122.260 122.226 0.034 17551 7779 1 12 . 1 1 6 6 TYR HA H 6 5.617 5.617 5.822 -0.205 17551 7780 1 12 . 1 1 6 6 TYR C C 6 174.519 174.519 175.611 -1.092 17551 7781 1 12 . 1 1 6 6 TYR CA C 6 55.158 55.158 56.074 -0.916 17551 7782 1 12 . 1 1 6 6 TYR CB C 6 41.637 41.637 42.713 -1.076 17551 7783 1 12 . 1 1 6 6 TYR H H 6 9.736 9.736 8.921 0.815 17551 7784 1 12 . 1 1 7 7 GLU N N 7 122.025 122.025 120.008 2.017 17551 7785 1 12 . 1 1 7 7 GLU HA H 7 5.096 5.096 5.329 -0.233 17551 7786 1 12 . 1 1 7 7 GLU C C 7 174.888 174.888 175.413 -0.525 17551 7787 1 12 . 1 1 7 7 GLU CA C 7 53.988 53.988 54.072 -0.084 17551 7788 1 12 . 1 1 7 7 GLU CB C 7 33.716 33.716 34.848 -1.132 17551 7789 1 12 . 1 1 7 7 GLU H H 7 9.461 9.461 8.608 0.853 17551 7790 1 12 . 1 1 8 8 PHE N N 8 126.529 126.529 124.429 2.100 17551 7791 1 12 . 1 1 8 8 PHE HA H 8 4.599 4.599 4.258 0.341 17551 7792 1 12 . 1 1 8 8 PHE C C 8 172.999 172.999 174.682 -1.683 17551 7793 1 12 . 1 1 8 8 PHE CA C 8 59.847 59.847 60.468 -0.621 17551 7794 1 12 . 1 1 8 8 PHE CB C 8 40.687 40.687 39.055 1.632 17551 7795 1 12 . 1 1 8 8 PHE H H 8 7.986 7.986 8.691 -0.705 17551 7796 1 12 . 1 1 9 9 GLU N N 9 129.046 129.046 126.361 2.685 17551 7797 1 12 . 1 1 9 9 GLU HA H 9 4.306 4.306 4.565 -0.259 17551 7798 1 12 . 1 1 9 9 GLU C C 9 174.528 174.528 176.271 -1.743 17551 7799 1 12 . 1 1 9 9 GLU CA C 9 56.545 56.545 57.225 -0.680 17551 7800 1 12 . 1 1 9 9 GLU CB C 9 32.798 32.798 31.884 0.914 17551 7801 1 12 . 1 1 9 9 GLU H H 9 9.151 9.151 8.689 0.462 17551 7802 1 12 . 1 1 10 10 SER N N 10 111.041 111.041 113.286 -2.245 17551 7803 1 12 . 1 1 10 10 SER HA H 10 4.258 4.258 4.940 -0.682 17551 7804 1 12 . 1 1 10 10 SER C C 10 171.216 171.216 171.822 -0.606 17551 7805 1 12 . 1 1 10 10 SER CA C 10 57.930 57.930 57.734 0.196 17551 7806 1 12 . 1 1 10 10 SER CB C 10 64.720 64.720 66.109 -1.389 17551 7807 1 12 . 1 1 10 10 SER H H 10 7.612 7.612 7.827 -0.215 17551 7808 1 12 . 1 1 11 11 ASP N N 11 118.058 118.058 119.544 -1.486 17551 7809 1 12 . 1 1 11 11 ASP HA H 11 5.500 5.500 5.351 0.149 17551 7810 1 12 . 1 1 11 11 ASP C C 11 174.845 174.845 174.974 -0.129 17551 7811 1 12 . 1 1 11 11 ASP CA C 11 51.633 51.633 53.238 -1.605 17551 7812 1 12 . 1 1 11 11 ASP H H 11 8.632 8.632 8.364 0.268 17551 7813 1 12 . 1 1 12 12 GLU N N 12 117.523 117.523 120.581 -3.058 17551 7814 1 12 . 1 1 12 12 GLU HA H 12 4.782 4.782 4.639 0.143 17551 7815 1 12 . 1 1 12 12 GLU C C 12 175.293 175.293 176.187 -0.894 17551 7816 1 12 . 1 1 12 12 GLU CB C 12 33.450 33.450 33.286 0.164 17551 7817 1 12 . 1 1 12 12 GLU H H 12 8.562 8.562 8.812 -0.250 17551 7818 1 12 . 1 1 13 13 ASN N N 13 118.877 118.877 121.026 -2.149 17551 7819 1 12 . 1 1 13 13 ASN HA H 13 4.742 4.742 4.494 0.248 17551 7820 1 12 . 1 1 13 13 ASN C C 13 175.303 175.303 175.171 0.132 17551 7821 1 12 . 1 1 13 13 ASN CA C 13 53.373 53.373 54.425 -1.052 17551 7822 1 12 . 1 1 13 13 ASN CB C 13 37.207 37.207 36.910 0.297 17551 7823 1 12 . 1 1 13 13 ASN H H 13 9.110 9.110 9.134 -0.024 17551 7824 1 12 . 1 1 14 14 TYR N N 14 118.061 118.061 120.644 -2.583 17551 7825 1 12 . 1 1 14 14 TYR HA H 14 4.015 4.015 4.146 -0.131 17551 7826 1 12 . 1 1 14 14 TYR C C 14 176.581 176.581 176.412 0.169 17551 7827 1 12 . 1 1 14 14 TYR CA C 14 62.797 62.797 62.863 -0.066 17551 7828 1 12 . 1 1 14 14 TYR CB C 14 38.998 38.998 38.698 0.300 17551 7829 1 12 . 1 1 14 14 TYR H H 14 8.731 8.731 8.418 0.313 17551 7830 1 12 . 1 1 15 15 ASP N N 15 115.317 115.317 118.293 -2.976 17551 7831 1 12 . 1 1 15 15 ASP HA H 15 4.112 4.112 4.286 -0.174 17551 7832 1 12 . 1 1 15 15 ASP C C 15 178.333 178.333 178.230 0.103 17551 7833 1 12 . 1 1 15 15 ASP CA C 15 57.819 57.819 58.083 -0.264 17551 7834 1 12 . 1 1 15 15 ASP CB C 15 40.410 40.410 39.668 0.742 17551 7835 1 12 . 1 1 15 15 ASP H H 15 8.316 8.316 9.059 -0.743 17551 7836 1 12 . 1 1 16 16 ASP N N 16 117.774 117.774 120.330 -2.556 17551 7837 1 12 . 1 1 16 16 ASP HA H 16 4.392 4.392 4.441 -0.049 17551 7838 1 12 . 1 1 16 16 ASP C C 16 178.597 178.597 178.118 0.479 17551 7839 1 12 . 1 1 16 16 ASP CA C 16 56.348 56.348 57.313 -0.965 17551 7840 1 12 . 1 1 16 16 ASP CB C 16 39.883 39.883 40.523 -0.640 17551 7841 1 12 . 1 1 16 16 ASP H H 16 8.449 8.449 8.473 -0.024 17551 7842 1 12 . 1 1 17 17 PHE N N 17 120.363 120.363 121.206 -0.843 17551 7843 1 12 . 1 1 17 17 PHE HA H 17 4.068 4.068 4.086 -0.018 17551 7844 1 12 . 1 1 17 17 PHE C C 17 176.755 176.755 176.843 -0.088 17551 7845 1 12 . 1 1 17 17 PHE CA C 17 61.840 61.840 61.154 0.686 17551 7846 1 12 . 1 1 17 17 PHE CB C 17 39.794 39.794 39.067 0.727 17551 7847 1 12 . 1 1 17 17 PHE H H 17 7.931 7.931 8.197 -0.266 17551 7848 1 12 . 1 1 18 18 VAL N N 18 110.180 110.180 116.774 -6.594 17551 7849 1 12 . 1 1 18 18 VAL HA H 18 3.595 3.595 3.334 0.261 17551 7850 1 12 . 1 1 18 18 VAL C C 18 178.434 178.434 177.571 0.863 17551 7851 1 12 . 1 1 18 18 VAL CA C 18 64.697 64.697 66.550 -1.853 17551 7852 1 12 . 1 1 18 18 VAL CB C 18 29.602 29.602 31.068 -1.466 17551 7853 1 12 . 1 1 18 18 VAL H H 18 8.294 8.294 8.370 -0.076 17551 7854 1 12 . 1 1 19 19 LYS N N 19 119.749 119.749 118.183 1.566 17551 7855 1 12 . 1 1 19 19 LYS HA H 19 4.108 4.108 4.119 -0.011 17551 7856 1 12 . 1 1 19 19 LYS C C 19 179.796 179.796 178.929 0.867 17551 7857 1 12 . 1 1 19 19 LYS CA C 19 58.320 58.320 57.700 0.620 17551 7858 1 12 . 1 1 19 19 LYS CB C 19 31.918 31.918 31.922 -0.003 17551 7859 1 12 . 1 1 19 19 LYS H H 19 7.382 7.382 7.894 -0.512 17551 7860 1 12 . 1 1 20 20 LYS N N 20 121.187 121.187 120.077 1.110 17551 7861 1 12 . 1 1 20 20 LYS HA H 20 4.071 4.071 4.126 -0.055 17551 7862 1 12 . 1 1 20 20 LYS C C 20 179.071 179.071 178.644 0.427 17551 7863 1 12 . 1 1 20 20 LYS CA C 20 57.347 57.347 58.330 -0.983 17551 7864 1 12 . 1 1 20 20 LYS CB C 20 30.633 30.633 32.464 -1.831 17551 7865 1 12 . 1 1 20 20 LYS H H 20 7.718 7.718 7.388 0.330 17551 7866 1 12 . 1 1 21 21 ILE N N 21 109.363 109.363 112.301 -2.938 17551 7867 1 12 . 1 1 21 21 ILE HA H 21 4.212 4.212 4.010 0.202 17551 7868 1 12 . 1 1 21 21 ILE C C 21 176.366 176.366 176.271 0.095 17551 7869 1 12 . 1 1 21 21 ILE CA C 21 61.610 61.610 61.806 -0.196 17551 7870 1 12 . 1 1 21 21 ILE CB C 21 36.968 36.968 38.183 -1.215 17551 7871 1 12 . 1 1 21 21 ILE H H 21 7.591 7.591 7.646 -0.055 17551 7872 1 12 . 1 1 22 22 GLY N N 22 107.961 107.961 108.077 -0.116 17551 7873 1 12 . 1 1 22 22 GLY C C 22 174.877 174.877 174.495 0.382 17551 7874 1 12 . 1 1 22 22 GLY CA C 22 45.510 45.510 44.630 0.880 17551 7875 1 12 . 1 1 22 22 GLY H H 22 7.260 7.260 7.439 -0.179 17551 7876 1 12 . 1 1 23 23 LEU N N 23 120.597 120.597 122.474 -1.877 17551 7877 1 12 . 1 1 23 23 LEU HA H 23 4.207 4.207 4.385 -0.178 17551 7878 1 12 . 1 1 23 23 LEU CA C 23 52.923 52.923 53.143 -0.220 17551 7879 1 12 . 1 1 23 23 LEU CB C 23 42.241 42.241 42.674 -0.433 17551 7880 1 12 . 1 1 23 23 LEU H H 23 7.314 7.314 7.727 -0.413 17551 7881 1 12 . 1 1 24 24 PRO HA H 24 4.537 4.537 4.481 0.056 17551 7882 1 12 . 1 1 24 24 PRO C C 24 177.702 177.702 177.228 0.474 17551 7883 1 12 . 1 1 24 24 PRO CA C 24 61.891 61.891 62.426 -0.535 17551 7884 1 12 . 1 1 24 24 PRO CB C 24 32.260 32.260 32.635 -0.375 17551 7885 1 12 . 1 1 25 25 ALA N N 25 123.142 123.142 128.232 -5.090 17551 7886 1 12 . 1 1 25 25 ALA HA H 25 3.935 3.935 3.998 -0.063 17551 7887 1 12 . 1 1 25 25 ALA C C 25 179.461 179.461 179.463 -0.002 17551 7888 1 12 . 1 1 25 25 ALA CA C 25 55.314 55.314 55.599 -0.285 17551 7889 1 12 . 1 1 25 25 ALA CB C 25 18.220 18.220 18.541 -0.321 17551 7890 1 12 . 1 1 25 25 ALA H H 25 8.738 8.738 8.722 0.016 17551 7891 1 12 . 1 1 26 26 ASP N N 26 115.440 115.440 117.430 -1.990 17551 7892 1 12 . 1 1 26 26 ASP HA H 26 4.379 4.379 4.330 0.049 17551 7893 1 12 . 1 1 26 26 ASP C C 26 179.291 179.291 178.588 0.703 17551 7894 1 12 . 1 1 26 26 ASP CA C 26 56.015 56.015 57.797 -1.782 17551 7895 1 12 . 1 1 26 26 ASP CB C 26 38.136 38.136 40.286 -2.151 17551 7896 1 12 . 1 1 26 26 ASP H H 26 8.971 8.971 8.803 0.168 17551 7897 1 12 . 1 1 27 27 LYS N N 27 122.292 122.292 117.947 4.345 17551 7898 1 12 . 1 1 27 27 LYS HA H 27 4.160 4.160 4.323 -0.163 17551 7899 1 12 . 1 1 27 27 LYS C C 27 177.758 177.758 178.634 -0.876 17551 7900 1 12 . 1 1 27 27 LYS CA C 27 58.022 58.022 56.923 1.099 17551 7901 1 12 . 1 1 27 27 LYS CB C 27 31.334 31.334 32.463 -1.129 17551 7902 1 12 . 1 1 27 27 LYS H H 27 7.434 7.434 7.548 -0.114 17551 7903 1 12 . 1 1 28 28 ILE N N 28 119.737 119.737 122.257 -2.520 17551 7904 1 12 . 1 1 28 28 ILE HA H 28 3.586 3.586 3.770 -0.184 17551 7905 1 12 . 1 1 28 28 ILE C C 28 180.386 180.386 178.508 1.878 17551 7906 1 12 . 1 1 28 28 ILE CA C 28 65.027 65.027 66.009 -0.982 17551 7907 1 12 . 1 1 28 28 ILE CB C 28 37.002 37.002 38.114 -1.111 17551 7908 1 12 . 1 1 28 28 ILE H H 28 8.016 8.016 8.439 -0.423 17551 7909 1 12 . 1 1 29 29 GLU N N 29 117.216 117.216 117.569 -0.353 17551 7910 1 12 . 1 1 29 29 GLU HA H 29 4.294 4.294 4.079 0.215 17551 7911 1 12 . 1 1 29 29 GLU C C 29 179.024 179.024 179.169 -0.145 17551 7912 1 12 . 1 1 29 29 GLU CA C 29 58.139 58.139 59.035 -0.896 17551 7913 1 12 . 1 1 29 29 GLU CB C 29 28.028 28.028 29.450 -1.422 17551 7914 1 12 . 1 1 29 29 GLU H H 29 7.755 7.755 8.043 -0.288 17551 7915 1 12 . 1 1 30 30 MET N N 30 119.183 119.183 119.663 -0.480 17551 7916 1 12 . 1 1 30 30 MET HA H 30 4.194 4.194 4.428 -0.234 17551 7917 1 12 . 1 1 30 30 MET C C 30 177.683 177.683 177.202 0.481 17551 7918 1 12 . 1 1 30 30 MET CA C 30 58.150 58.150 57.543 0.607 17551 7919 1 12 . 1 1 30 30 MET CB C 30 33.162 33.162 32.963 0.199 17551 7920 1 12 . 1 1 30 30 MET H H 30 7.659 7.659 7.655 0.004 17551 7921 1 12 . 1 1 31 31 GLY N N 31 102.603 102.603 106.791 -4.188 17551 7922 1 12 . 1 1 31 31 GLY C C 31 172.264 172.264 173.163 -0.899 17551 7923 1 12 . 1 1 31 31 GLY CA C 31 45.433 45.433 44.695 0.738 17551 7924 1 12 . 1 1 31 31 GLY H H 31 7.839 7.839 8.194 -0.355 17551 7925 1 12 . 1 1 32 32 ARG N N 32 121.453 121.453 120.498 0.955 17551 7926 1 12 . 1 1 32 32 ARG HA H 32 3.072 3.072 4.199 -1.127 17551 7927 1 12 . 1 1 32 32 ARG C C 32 175.932 175.932 175.552 0.380 17551 7928 1 12 . 1 1 32 32 ARG CA C 32 56.894 56.894 55.481 1.413 17551 7929 1 12 . 1 1 32 32 ARG CB C 32 29.004 29.004 30.946 -1.942 17551 7930 1 12 . 1 1 32 32 ARG H H 32 6.954 6.954 7.373 -0.419 17551 7931 1 12 . 1 1 33 33 ASN N N 33 127.905 127.905 117.261 10.644 17551 7932 1 12 . 1 1 33 33 ASN HA H 33 4.066 4.066 3.976 0.090 17551 7933 1 12 . 1 1 33 33 ASN C C 33 173.939 173.939 174.403 -0.464 17551 7934 1 12 . 1 1 33 33 ASN CA C 33 53.539 53.539 54.159 -0.620 17551 7935 1 12 . 1 1 33 33 ASN CB C 33 37.017 37.017 37.705 -0.688 17551 7936 1 12 . 1 1 33 33 ASN H H 33 8.990 8.990 8.428 0.562 17551 7937 1 12 . 1 1 34 34 CYS N N 34 116.649 116.649 116.658 -0.009 17551 7938 1 12 . 1 1 34 34 CYS HA H 34 4.018 4.018 4.515 -0.497 17551 7939 1 12 . 1 1 34 34 CYS C C 34 175.384 175.384 174.025 1.359 17551 7940 1 12 . 1 1 34 34 CYS CA C 34 57.216 57.216 57.401 -0.185 17551 7941 1 12 . 1 1 34 34 CYS CB C 34 27.200 27.200 30.576 -3.376 17551 7942 1 12 . 1 1 34 34 CYS H H 34 7.443 7.443 7.352 0.091 17551 7943 1 12 . 1 1 35 35 LYS N N 35 130.727 130.727 120.871 9.856 17551 7944 1 12 . 1 1 35 35 LYS HA H 35 4.296 4.296 4.424 -0.128 17551 7945 1 12 . 1 1 35 35 LYS C C 35 175.272 175.272 175.219 0.053 17551 7946 1 12 . 1 1 35 35 LYS CA C 35 55.577 55.577 55.503 0.074 17551 7947 1 12 . 1 1 35 35 LYS CB C 35 29.487 29.487 31.738 -2.251 17551 7948 1 12 . 1 1 35 35 LYS H H 35 8.691 8.691 8.184 0.507 17551 7949 1 12 . 1 1 36 36 ILE N N 36 125.658 125.658 125.904 -0.246 17551 7950 1 12 . 1 1 36 36 ILE HA H 36 4.010 4.010 4.851 -0.841 17551 7951 1 12 . 1 1 36 36 ILE C C 36 177.115 177.115 175.865 1.250 17551 7952 1 12 . 1 1 36 36 ILE CA C 36 62.608 62.608 58.165 4.443 17551 7953 1 12 . 1 1 36 36 ILE CB C 36 39.739 39.739 38.319 1.419 17551 7954 1 12 . 1 1 36 36 ILE H H 36 7.658 7.658 8.277 -0.619 17551 7955 1 12 . 1 1 37 37 VAL N N 37 130.730 130.730 128.509 2.221 17551 7956 1 12 . 1 1 37 37 VAL HA H 37 5.105 5.105 5.118 -0.013 17551 7957 1 12 . 1 1 37 37 VAL C C 37 175.295 175.295 176.104 -0.809 17551 7958 1 12 . 1 1 37 37 VAL CA C 37 60.845 60.845 61.053 -0.208 17551 7959 1 12 . 1 1 37 37 VAL CB C 37 33.716 33.716 33.052 0.664 17551 7960 1 12 . 1 1 37 37 VAL H H 37 7.909 7.909 8.306 -0.397 17551 7961 1 12 . 1 1 38 38 THR N N 38 127.066 127.066 124.766 2.300 17551 7962 1 12 . 1 1 38 38 THR HA H 38 5.405 5.405 5.599 -0.194 17551 7963 1 12 . 1 1 38 38 THR C C 38 174.035 174.035 174.097 -0.062 17551 7964 1 12 . 1 1 38 38 THR CA C 38 61.303 61.303 60.896 0.407 17551 7965 1 12 . 1 1 38 38 THR CB C 38 70.474 70.474 69.877 0.596 17551 7966 1 12 . 1 1 38 38 THR H H 38 9.393 9.393 9.229 0.164 17551 7967 1 12 . 1 1 39 39 GLU N N 39 126.804 126.804 129.290 -2.486 17551 7968 1 12 . 1 1 39 39 GLU HA H 39 5.216 5.216 4.660 0.556 17551 7969 1 12 . 1 1 39 39 GLU C C 39 174.379 174.379 174.866 -0.487 17551 7970 1 12 . 1 1 39 39 GLU CA C 39 54.232 54.232 55.895 -1.663 17551 7971 1 12 . 1 1 39 39 GLU CB C 39 32.531 32.531 30.908 1.623 17551 7972 1 12 . 1 1 39 39 GLU H H 39 9.728 9.728 8.449 1.279 17551 7973 1 12 . 1 1 40 40 VAL N N 40 125.405 125.405 125.930 -0.525 17551 7974 1 12 . 1 1 40 40 VAL HA H 40 4.859 4.859 5.329 -0.470 17551 7975 1 12 . 1 1 40 40 VAL C C 40 176.139 176.139 175.315 0.824 17551 7976 1 12 . 1 1 40 40 VAL CA C 40 60.091 60.091 60.019 0.072 17551 7977 1 12 . 1 1 40 40 VAL CB C 40 33.952 33.952 33.244 0.708 17551 7978 1 12 . 1 1 40 40 VAL H H 40 9.326 9.326 8.963 0.363 17551 7979 1 12 . 1 1 41 41 VAL N N 41 127.197 127.197 128.032 -0.835 17551 7980 1 12 . 1 1 41 41 VAL HA H 41 4.144 4.144 4.318 -0.174 17551 7981 1 12 . 1 1 41 41 VAL C C 41 173.604 173.604 174.226 -0.622 17551 7982 1 12 . 1 1 41 41 VAL CA C 41 62.522 62.522 60.804 1.718 17551 7983 1 12 . 1 1 41 41 VAL CB C 41 33.757 33.757 33.980 -0.223 17551 7984 1 12 . 1 1 41 41 VAL H H 41 8.811 8.811 8.232 0.579 17551 7985 1 12 . 1 1 42 42 GLN N N 42 130.317 130.317 127.271 3.046 17551 7986 1 12 . 1 1 42 42 GLN HA H 42 4.430 4.430 4.078 0.352 17551 7987 1 12 . 1 1 42 42 GLN C C 42 174.239 174.239 174.861 -0.622 17551 7988 1 12 . 1 1 42 42 GLN CA C 42 52.960 52.960 55.906 -2.946 17551 7989 1 12 . 1 1 42 42 GLN CB C 42 29.877 29.877 28.757 1.120 17551 7990 1 12 . 1 1 42 42 GLN H H 42 8.345 8.345 8.760 -0.415 17551 7991 1 12 . 1 1 43 43 ASN N N 43 125.513 125.513 127.229 -1.716 17551 7992 1 12 . 1 1 43 43 ASN HA H 43 4.826 4.826 4.873 -0.047 17551 7993 1 12 . 1 1 43 43 ASN C C 43 175.350 175.350 175.222 0.128 17551 7994 1 12 . 1 1 43 43 ASN CA C 43 51.303 51.303 52.385 -1.082 17551 7995 1 12 . 1 1 43 43 ASN CB C 43 39.051 39.051 38.891 0.160 17551 7996 1 12 . 1 1 43 43 ASN H H 43 8.772 8.772 7.858 0.914 17551 7997 1 12 . 1 1 44 44 GLY N N 44 115.694 115.694 111.267 4.427 17551 7998 1 12 . 1 1 44 44 GLY C C 44 173.199 173.199 174.705 -1.506 17551 7999 1 12 . 1 1 44 44 GLY CA C 44 46.964 46.964 47.180 -0.216 17551 8000 1 12 . 1 1 44 44 GLY H H 44 9.187 9.187 8.469 0.718 17551 8001 1 12 . 1 1 45 45 ASN N N 45 125.520 125.520 122.901 2.619 17551 8002 1 12 . 1 1 45 45 ASN HA H 45 4.991 4.991 4.842 0.149 17551 8003 1 12 . 1 1 45 45 ASN C C 45 173.822 173.822 173.051 0.771 17551 8004 1 12 . 1 1 45 45 ASN CA C 45 52.215 52.215 52.470 -0.255 17551 8005 1 12 . 1 1 45 45 ASN CB C 45 38.700 38.700 40.564 -1.864 17551 8006 1 12 . 1 1 45 45 ASN H H 45 8.854 8.854 8.205 0.649 17551 8007 1 12 . 1 1 46 46 ASP N N 46 120.842 120.842 121.403 -0.561 17551 8008 1 12 . 1 1 46 46 ASP HA H 46 5.185 5.185 5.147 0.038 17551 8009 1 12 . 1 1 46 46 ASP C C 46 174.705 174.705 174.505 0.200 17551 8010 1 12 . 1 1 46 46 ASP CA C 46 53.658 53.658 52.983 0.675 17551 8011 1 12 . 1 1 46 46 ASP CB C 46 41.025 41.025 41.477 -0.452 17551 8012 1 12 . 1 1 46 46 ASP H H 46 7.921 7.921 7.811 0.110 17551 8013 1 12 . 1 1 47 47 PHE N N 47 121.470 121.470 126.187 -4.717 17551 8014 1 12 . 1 1 47 47 PHE HA H 47 5.161 5.161 5.069 0.092 17551 8015 1 12 . 1 1 47 47 PHE C C 47 177.125 177.125 175.794 1.331 17551 8016 1 12 . 1 1 47 47 PHE CA C 47 56.591 56.591 55.990 0.601 17551 8017 1 12 . 1 1 47 47 PHE CB C 47 44.035 44.035 41.184 2.851 17551 8018 1 12 . 1 1 47 47 PHE H H 47 9.263 9.263 8.442 0.821 17551 8019 1 12 . 1 1 48 48 THR N N 48 116.950 116.950 116.629 0.321 17551 8020 1 12 . 1 1 48 48 THR HA H 48 4.861 4.861 4.786 0.075 17551 8021 1 12 . 1 1 48 48 THR C C 48 172.499 172.499 173.880 -1.381 17551 8022 1 12 . 1 1 48 48 THR CA C 48 62.943 62.943 61.614 1.329 17551 8023 1 12 . 1 1 48 48 THR CB C 48 70.360 70.360 69.561 0.799 17551 8024 1 12 . 1 1 48 48 THR H H 48 8.831 8.831 8.346 0.485 17551 8025 1 12 . 1 1 49 49 TRP N N 49 132.266 132.266 128.536 3.730 17551 8026 1 12 . 1 1 49 49 TRP HA H 49 4.955 4.955 5.003 -0.048 17551 8027 1 12 . 1 1 49 49 TRP C C 49 175.842 175.842 174.816 1.026 17551 8028 1 12 . 1 1 49 49 TRP CA C 49 57.286 57.286 56.283 1.003 17551 8029 1 12 . 1 1 49 49 TRP CB C 49 31.894 31.894 32.102 -0.209 17551 8030 1 12 . 1 1 49 49 TRP H H 49 9.914 9.914 9.560 0.354 17551 8031 1 12 . 1 1 50 50 THR N N 50 131.707 131.707 123.515 8.192 17551 8032 1 12 . 1 1 50 50 THR HA H 50 5.928 5.928 5.075 0.853 17551 8033 1 12 . 1 1 50 50 THR C C 50 173.408 173.408 173.544 -0.136 17551 8034 1 12 . 1 1 50 50 THR CA C 50 60.993 60.993 61.421 -0.428 17551 8035 1 12 . 1 1 50 50 THR CB C 50 70.957 70.957 70.543 0.414 17551 8036 1 12 . 1 1 50 50 THR H H 50 9.524 9.524 8.295 1.229 17551 8037 1 12 . 1 1 51 51 GLN N N 51 124.680 124.680 125.200 -0.520 17551 8038 1 12 . 1 1 51 51 GLN HA H 51 5.056 5.056 5.142 -0.086 17551 8039 1 12 . 1 1 51 51 GLN C C 51 175.328 175.328 174.814 0.514 17551 8040 1 12 . 1 1 51 51 GLN CA C 51 56.309 56.309 54.270 2.039 17551 8041 1 12 . 1 1 51 51 GLN CB C 51 29.046 29.046 31.048 -2.002 17551 8042 1 12 . 1 1 51 51 GLN H H 51 9.456 9.456 9.294 0.162 17551 8043 1 12 . 1 1 52 52 HIS N N 52 122.268 122.268 124.281 -2.013 17551 8044 1 12 . 1 1 52 52 HIS HA H 52 5.051 5.051 4.988 0.063 17551 8045 1 12 . 1 1 52 52 HIS C C 52 174.819 174.819 173.819 1.000 17551 8046 1 12 . 1 1 52 52 HIS CA C 52 54.039 54.039 55.274 -1.235 17551 8047 1 12 . 1 1 52 52 HIS CB C 52 29.432 29.432 31.919 -2.487 17551 8048 1 12 . 1 1 52 52 HIS H H 52 9.534 9.534 9.014 0.520 17551 8049 1 12 . 1 1 53 53 PHE N N 53 129.837 129.837 125.284 4.553 17551 8050 1 12 . 1 1 53 53 PHE HA H 53 4.584 4.584 5.031 -0.447 17551 8051 1 12 . 1 1 53 53 PHE CA C 53 56.312 56.312 53.498 2.814 17551 8052 1 12 . 1 1 53 53 PHE CB C 53 40.660 40.660 42.078 -1.418 17551 8053 1 12 . 1 1 53 53 PHE H H 53 8.641 8.641 8.509 0.132 17551 8054 1 12 . 1 1 54 54 PRO HA H 54 4.291 4.291 4.352 -0.061 17551 8055 1 12 . 1 1 54 54 PRO C C 54 177.389 177.389 176.624 0.765 17551 8056 1 12 . 1 1 54 54 PRO CA C 54 63.569 63.569 63.599 -0.030 17551 8057 1 12 . 1 1 54 54 PRO CB C 54 30.471 30.471 30.872 -0.401 17551 8058 1 12 . 1 1 55 55 GLY N N 55 113.867 113.867 113.100 0.767 17551 8059 1 12 . 1 1 55 55 GLY C C 55 175.164 175.164 174.067 1.097 17551 8060 1 12 . 1 1 55 55 GLY CA C 55 45.258 45.258 45.078 0.180 17551 8061 1 12 . 1 1 55 55 GLY H H 55 8.926 8.926 8.537 0.389 17551 8062 1 12 . 1 1 56 56 GLY N N 56 108.877 108.877 108.609 0.268 17551 8063 1 12 . 1 1 56 56 GLY C C 56 174.054 174.054 173.063 0.991 17551 8064 1 12 . 1 1 56 56 GLY CA C 56 44.534 44.534 44.755 -0.221 17551 8065 1 12 . 1 1 56 56 GLY H H 56 8.426 8.426 7.829 0.597 17551 8066 1 12 . 1 1 57 57 ARG N N 57 123.871 123.871 118.723 5.148 17551 8067 1 12 . 1 1 57 57 ARG HA H 57 4.483 4.483 4.430 0.053 17551 8068 1 12 . 1 1 57 57 ARG C C 57 176.728 176.728 175.473 1.255 17551 8069 1 12 . 1 1 57 57 ARG CA C 57 56.217 56.217 56.700 -0.483 17551 8070 1 12 . 1 1 57 57 ARG CB C 57 31.388 31.388 30.790 0.598 17551 8071 1 12 . 1 1 57 57 ARG H H 57 8.474 8.474 8.497 -0.023 17551 8072 1 12 . 1 1 58 58 THR N N 58 122.156 122.156 115.827 6.329 17551 8073 1 12 . 1 1 58 58 THR HA H 58 5.299 5.299 4.903 0.396 17551 8074 1 12 . 1 1 58 58 THR C C 58 174.092 174.092 174.275 -0.183 17551 8075 1 12 . 1 1 58 58 THR CA C 58 62.125 62.125 60.606 1.518 17551 8076 1 12 . 1 1 58 58 THR CB C 58 70.339 70.339 71.220 -0.881 17551 8077 1 12 . 1 1 58 58 THR H H 58 8.818 8.818 8.264 0.554 17551 8078 1 12 . 1 1 59 59 THR N N 59 127.287 127.287 122.020 5.267 17551 8079 1 12 . 1 1 59 59 THR HA H 59 4.505 4.505 4.665 -0.160 17551 8080 1 12 . 1 1 59 59 THR C C 59 172.626 172.626 172.620 0.006 17551 8081 1 12 . 1 1 59 59 THR CA C 59 62.163 62.163 61.949 0.214 17551 8082 1 12 . 1 1 59 59 THR CB C 59 70.565 70.565 72.100 -1.535 17551 8083 1 12 . 1 1 59 59 THR H H 59 9.281 9.281 8.725 0.556 17551 8084 1 12 . 1 1 60 60 THR N N 60 123.658 123.658 122.310 1.348 17551 8085 1 12 . 1 1 60 60 THR HA H 60 5.105 5.105 5.048 0.057 17551 8086 1 12 . 1 1 60 60 THR C C 60 172.453 172.453 173.430 -0.977 17551 8087 1 12 . 1 1 60 60 THR CA C 60 61.277 61.277 61.640 -0.363 17551 8088 1 12 . 1 1 60 60 THR CB C 60 70.432 70.432 70.835 -0.403 17551 8089 1 12 . 1 1 60 60 THR H H 60 8.952 8.952 8.534 0.418 17551 8090 1 12 . 1 1 61 61 ASN N N 61 124.292 124.292 126.366 -2.074 17551 8091 1 12 . 1 1 61 61 ASN HA H 61 5.384 5.384 5.096 0.288 17551 8092 1 12 . 1 1 61 61 ASN C C 61 173.609 173.609 173.746 -0.137 17551 8093 1 12 . 1 1 61 61 ASN CA C 61 52.190 52.190 52.663 -0.473 17551 8094 1 12 . 1 1 61 61 ASN CB C 61 43.987 43.987 42.851 1.136 17551 8095 1 12 . 1 1 61 61 ASN H H 61 8.848 8.848 9.281 -0.433 17551 8096 1 12 . 1 1 62 62 SER N N 62 118.046 118.046 116.868 1.178 17551 8097 1 12 . 1 1 62 62 SER HA H 62 5.659 5.659 5.256 0.403 17551 8098 1 12 . 1 1 62 62 SER C C 62 172.545 172.545 173.317 -0.772 17551 8099 1 12 . 1 1 62 62 SER CA C 62 56.974 56.974 57.227 -0.253 17551 8100 1 12 . 1 1 62 62 SER CB C 62 64.719 64.719 64.412 0.307 17551 8101 1 12 . 1 1 62 62 SER H H 62 8.986 8.986 8.715 0.271 17551 8102 1 12 . 1 1 63 63 PHE N N 63 118.769 118.769 121.885 -3.116 17551 8103 1 12 . 1 1 63 63 PHE HA H 63 5.016 5.016 5.031 -0.015 17551 8104 1 12 . 1 1 63 63 PHE C C 63 172.500 172.500 173.642 -1.142 17551 8105 1 12 . 1 1 63 63 PHE CA C 63 55.793 55.793 56.498 -0.705 17551 8106 1 12 . 1 1 63 63 PHE CB C 63 39.459 39.459 41.662 -2.203 17551 8107 1 12 . 1 1 63 63 PHE H H 63 8.514 8.514 8.203 0.311 17551 8108 1 12 . 1 1 64 64 THR N N 64 120.318 120.318 119.281 1.037 17551 8109 1 12 . 1 1 64 64 THR HA H 64 5.617 5.617 4.893 0.724 17551 8110 1 12 . 1 1 64 64 THR C C 64 175.240 175.240 174.610 0.630 17551 8111 1 12 . 1 1 64 64 THR CA C 64 60.409 60.409 61.032 -0.624 17551 8112 1 12 . 1 1 64 64 THR CB C 64 71.213 71.213 70.344 0.869 17551 8113 1 12 . 1 1 64 64 THR H H 64 9.743 9.743 8.603 1.140 17551 8114 1 12 . 1 1 65 65 ILE N N 65 127.640 127.640 127.404 0.236 17551 8115 1 12 . 1 1 65 65 ILE HA H 65 4.089 4.089 3.881 0.208 17551 8116 1 12 . 1 1 65 65 ILE C C 65 176.477 176.477 177.425 -0.948 17551 8117 1 12 . 1 1 65 65 ILE CA C 65 59.299 59.299 61.918 -2.619 17551 8118 1 12 . 1 1 65 65 ILE CB C 65 35.445 35.445 36.215 -0.770 17551 8119 1 12 . 1 1 65 65 ILE H H 65 8.961 8.961 9.033 -0.072 17551 8120 1 12 . 1 1 66 66 ASP N N 66 117.361 117.361 124.778 -7.417 17551 8121 1 12 . 1 1 66 66 ASP HA H 66 4.080 4.080 4.222 -0.142 17551 8122 1 12 . 1 1 66 66 ASP C C 66 174.730 174.730 174.415 0.315 17551 8123 1 12 . 1 1 66 66 ASP CA C 66 57.150 57.150 55.856 1.294 17551 8124 1 12 . 1 1 66 66 ASP CB C 66 38.442 38.442 40.587 -2.145 17551 8125 1 12 . 1 1 66 66 ASP H H 66 9.264 9.264 9.363 -0.099 17551 8126 1 12 . 1 1 67 67 LYS N N 67 121.171 121.171 118.905 2.266 17551 8127 1 12 . 1 1 67 67 LYS HA H 67 4.805 4.805 4.614 0.191 17551 8128 1 12 . 1 1 67 67 LYS C C 67 175.115 175.115 174.529 0.586 17551 8129 1 12 . 1 1 67 67 LYS CA C 67 53.900 53.900 54.520 -0.620 17551 8130 1 12 . 1 1 67 67 LYS CB C 67 34.256 34.256 35.707 -1.451 17551 8131 1 12 . 1 1 67 67 LYS H H 67 8.185 8.185 7.783 0.402 17551 8132 1 12 . 1 1 68 68 GLU N N 68 130.373 130.373 126.399 3.974 17551 8133 1 12 . 1 1 68 68 GLU HA H 68 4.194 4.194 4.385 -0.191 17551 8134 1 12 . 1 1 68 68 GLU C C 68 175.449 175.449 175.572 -0.123 17551 8135 1 12 . 1 1 68 68 GLU CA C 68 58.343 58.343 56.814 1.529 17551 8136 1 12 . 1 1 68 68 GLU H H 68 8.879 8.879 8.789 0.090 17551 8137 1 12 . 1 1 69 69 ALA N N 69 130.113 130.113 129.961 0.152 17551 8138 1 12 . 1 1 69 69 ALA HA H 69 4.924 4.924 4.644 0.280 17551 8139 1 12 . 1 1 69 69 ALA C C 69 175.797 175.797 175.261 0.536 17551 8140 1 12 . 1 1 69 69 ALA CA C 69 50.151 50.151 50.587 -0.436 17551 8141 1 12 . 1 1 69 69 ALA CB C 69 22.239 22.239 23.065 -0.826 17551 8142 1 12 . 1 1 69 69 ALA H H 69 8.864 8.864 9.020 -0.156 17551 8143 1 12 . 1 1 70 70 ASP N N 70 120.889 120.889 120.811 0.078 17551 8144 1 12 . 1 1 70 70 ASP HA H 70 4.852 4.852 5.091 -0.239 17551 8145 1 12 . 1 1 70 70 ASP C C 70 175.541 175.541 175.296 0.245 17551 8146 1 12 . 1 1 70 70 ASP CA C 70 54.211 54.211 54.601 -0.390 17551 8147 1 12 . 1 1 70 70 ASP CB C 70 41.052 41.052 42.468 -1.416 17551 8148 1 12 . 1 1 70 70 ASP H H 70 8.319 8.319 8.659 -0.340 17551 8149 1 12 . 1 1 71 71 MET N N 71 125.005 125.005 122.027 2.978 17551 8150 1 12 . 1 1 71 71 MET HA H 71 4.743 4.743 4.654 0.089 17551 8151 1 12 . 1 1 71 71 MET C C 71 174.047 174.047 173.389 0.658 17551 8152 1 12 . 1 1 71 71 MET CA C 71 54.265 54.265 54.418 -0.153 17551 8153 1 12 . 1 1 71 71 MET CB C 71 39.844 39.844 37.339 2.505 17551 8154 1 12 . 1 1 71 71 MET H H 71 8.796 8.796 8.566 0.230 17551 8155 1 12 . 1 1 72 72 GLU N N 72 118.909 118.909 119.598 -0.689 17551 8156 1 12 . 1 1 72 72 GLU HA H 72 5.613 5.613 5.482 0.131 17551 8157 1 12 . 1 1 72 72 GLU C C 72 176.109 176.109 175.382 0.727 17551 8158 1 12 . 1 1 72 72 GLU CA C 72 53.790 53.790 54.721 -0.931 17551 8159 1 12 . 1 1 72 72 GLU CB C 72 33.986 33.986 33.749 0.237 17551 8160 1 12 . 1 1 72 72 GLU H H 72 9.225 9.225 8.875 0.350 17551 8161 1 12 . 1 1 73 73 THR N N 73 109.667 109.667 116.995 -7.328 17551 8162 1 12 . 1 1 73 73 THR HA H 73 4.538 4.538 4.629 -0.091 17551 8163 1 12 . 1 1 73 73 THR C C 73 176.660 176.660 176.079 0.581 17551 8164 1 12 . 1 1 73 73 THR CA C 73 59.666 59.666 60.755 -1.089 17551 8165 1 12 . 1 1 73 73 THR CB C 73 69.710 69.710 70.278 -0.569 17551 8166 1 12 . 1 1 73 73 THR H H 73 8.904 8.904 8.504 0.400 17551 8167 1 12 . 1 1 74 74 MET N N 74 117.519 117.519 117.946 -0.427 17551 8168 1 12 . 1 1 74 74 MET HA H 74 4.776 4.776 4.602 0.174 17551 8169 1 12 . 1 1 74 74 MET C C 74 176.641 176.641 177.106 -0.465 17551 8170 1 12 . 1 1 74 74 MET CA C 74 58.631 58.631 56.962 1.669 17551 8171 1 12 . 1 1 74 74 MET H H 74 8.206 8.206 8.498 -0.292 17551 8172 1 12 . 1 1 75 75 GLY N N 75 103.810 103.810 105.110 -1.300 17551 8173 1 12 . 1 1 75 75 GLY C C 75 173.956 173.956 175.046 -1.090 17551 8174 1 12 . 1 1 75 75 GLY CA C 75 43.728 43.728 44.459 -0.731 17551 8175 1 12 . 1 1 75 75 GLY H H 75 8.067 8.067 7.812 0.255 17551 8176 1 12 . 1 1 76 76 GLY N N 76 108.498 108.498 109.124 -0.626 17551 8177 1 12 . 1 1 76 76 GLY C C 76 173.267 173.267 174.482 -1.215 17551 8178 1 12 . 1 1 76 76 GLY CA C 76 44.563 44.563 44.817 -0.254 17551 8179 1 12 . 1 1 76 76 GLY H H 76 7.702 7.702 7.507 0.195 17551 8180 1 12 . 1 1 77 77 ARG N N 77 121.161 121.161 120.635 0.526 17551 8181 1 12 . 1 1 77 77 ARG HA H 77 4.348 4.348 4.512 -0.164 17551 8182 1 12 . 1 1 77 77 ARG C C 77 176.083 176.083 175.530 0.553 17551 8183 1 12 . 1 1 77 77 ARG CA C 77 55.350 55.350 55.075 0.275 17551 8184 1 12 . 1 1 77 77 ARG CB C 77 30.904 30.904 31.369 -0.465 17551 8185 1 12 . 1 1 77 77 ARG H H 77 7.328 7.328 7.628 -0.300 17551 8186 1 12 . 1 1 78 78 LYS N N 78 126.790 126.790 125.204 1.586 17551 8187 1 12 . 1 1 78 78 LYS HA H 78 5.147 5.147 5.018 0.129 17551 8188 1 12 . 1 1 78 78 LYS C C 78 176.961 176.961 176.121 0.840 17551 8189 1 12 . 1 1 78 78 LYS CA C 78 55.487 55.487 55.178 0.309 17551 8190 1 12 . 1 1 78 78 LYS CB C 78 32.769 32.769 32.792 -0.023 17551 8191 1 12 . 1 1 78 78 LYS H H 78 8.771 8.771 8.667 0.104 17551 8192 1 12 . 1 1 79 79 PHE N N 79 119.480 119.480 121.874 -2.394 17551 8193 1 12 . 1 1 79 79 PHE HA H 79 4.898 4.898 5.003 -0.105 17551 8194 1 12 . 1 1 79 79 PHE C C 79 171.587 171.587 173.421 -1.834 17551 8195 1 12 . 1 1 79 79 PHE CA C 79 55.817 55.817 56.315 -0.498 17551 8196 1 12 . 1 1 79 79 PHE CB C 79 40.702 40.702 41.299 -0.597 17551 8197 1 12 . 1 1 79 79 PHE H H 79 8.794 8.794 8.489 0.305 17551 8198 1 12 . 1 1 80 80 LYS N N 80 119.760 119.760 119.536 0.224 17551 8199 1 12 . 1 1 80 80 LYS HA H 80 5.460 5.460 5.377 0.083 17551 8200 1 12 . 1 1 80 80 LYS C C 80 176.538 176.538 175.656 0.882 17551 8201 1 12 . 1 1 80 80 LYS CA C 80 53.988 53.988 55.029 -1.040 17551 8202 1 12 . 1 1 80 80 LYS CB C 80 35.754 35.754 35.654 0.100 17551 8203 1 12 . 1 1 80 80 LYS H H 80 8.414 8.414 8.469 -0.055 17551 8204 1 12 . 1 1 81 81 ALA N N 81 121.171 121.171 125.564 -4.393 17551 8205 1 12 . 1 1 81 81 ALA HA H 81 4.738 4.738 4.599 0.139 17551 8206 1 12 . 1 1 81 81 ALA C C 81 175.290 175.290 174.968 0.322 17551 8207 1 12 . 1 1 81 81 ALA CA C 81 51.262 51.262 51.458 -0.195 17551 8208 1 12 . 1 1 81 81 ALA CB C 81 22.568 22.568 22.005 0.563 17551 8209 1 12 . 1 1 81 81 ALA H H 81 8.525 8.525 8.862 -0.337 17551 8210 1 12 . 1 1 82 82 THR N N 82 117.970 117.970 116.586 1.384 17551 8211 1 12 . 1 1 82 82 THR HA H 82 4.292 4.292 4.821 -0.529 17551 8212 1 12 . 1 1 82 82 THR C C 82 172.556 172.556 173.751 -1.195 17551 8213 1 12 . 1 1 82 82 THR CA C 82 61.640 61.640 61.654 -0.014 17551 8214 1 12 . 1 1 82 82 THR CB C 82 68.485 68.485 69.402 -0.917 17551 8215 1 12 . 1 1 82 82 THR H H 82 8.448 8.448 8.452 -0.004 17551 8216 1 12 . 1 1 83 83 VAL N N 83 131.564 131.564 125.479 6.085 17551 8217 1 12 . 1 1 83 83 VAL HA H 83 3.784 3.784 4.555 -0.771 17551 8218 1 12 . 1 1 83 83 VAL C C 83 174.167 174.167 174.717 -0.550 17551 8219 1 12 . 1 1 83 83 VAL CA C 83 62.059 62.059 60.626 1.433 17551 8220 1 12 . 1 1 83 83 VAL CB C 83 31.076 31.076 33.527 -2.451 17551 8221 1 12 . 1 1 83 83 VAL H H 83 9.722 9.722 7.920 1.802 17551 8222 1 12 . 1 1 84 84 LYS N N 84 125.930 125.930 123.383 2.547 17551 8223 1 12 . 1 1 84 84 LYS HA H 84 4.851 4.851 4.767 0.084 17551 8224 1 12 . 1 1 84 84 LYS C C 84 175.025 175.025 174.173 0.852 17551 8225 1 12 . 1 1 84 84 LYS CA C 84 54.213 54.213 54.485 -0.272 17551 8226 1 12 . 1 1 84 84 LYS CB C 84 35.076 35.076 35.718 -0.642 17551 8227 1 12 . 1 1 84 84 LYS H H 84 8.541 8.541 9.243 -0.702 17551 8228 1 12 . 1 1 85 85 MET N N 85 119.366 119.366 119.447 -0.081 17551 8229 1 12 . 1 1 85 85 MET HA H 85 5.517 5.517 5.170 0.347 17551 8230 1 12 . 1 1 85 85 MET C C 85 175.698 175.698 175.327 0.371 17551 8231 1 12 . 1 1 85 85 MET CA C 85 54.256 54.256 54.834 -0.577 17551 8232 1 12 . 1 1 85 85 MET CB C 85 35.406 35.406 36.443 -1.037 17551 8233 1 12 . 1 1 85 85 MET H H 85 8.992 8.992 8.506 0.486 17551 8234 1 12 . 1 1 86 86 GLU N N 86 125.741 125.741 124.831 0.910 17551 8235 1 12 . 1 1 86 86 GLU HA H 86 4.654 4.654 4.528 0.126 17551 8236 1 12 . 1 1 86 86 GLU C C 86 177.223 177.223 176.470 0.753 17551 8237 1 12 . 1 1 86 86 GLU CA C 86 54.213 54.213 55.471 -1.258 17551 8238 1 12 . 1 1 86 86 GLU CB C 86 31.578 31.578 29.569 2.009 17551 8239 1 12 . 1 1 86 86 GLU H H 86 9.063 9.063 9.079 -0.016 17551 8240 1 12 . 1 1 87 87 GLY N N 87 117.720 117.720 113.136 4.584 17551 8241 1 12 . 1 1 87 87 GLY C C 87 175.275 175.275 175.022 0.253 17551 8242 1 12 . 1 1 87 87 GLY CA C 87 46.902 46.902 44.958 1.944 17551 8243 1 12 . 1 1 87 87 GLY H H 87 9.300 9.300 9.050 0.250 17551 8244 1 12 . 1 1 88 88 GLY N N 88 109.070 109.070 104.081 4.989 17551 8245 1 12 . 1 1 88 88 GLY C C 88 172.863 172.863 173.295 -0.432 17551 8246 1 12 . 1 1 88 88 GLY CA C 88 44.853 44.853 45.298 -0.445 17551 8247 1 12 . 1 1 88 88 GLY H H 88 8.739 8.739 8.500 0.239 17551 8248 1 12 . 1 1 89 89 LYS N N 89 120.150 120.150 118.830 1.320 17551 8249 1 12 . 1 1 89 89 LYS HA H 89 5.113 5.113 5.137 -0.024 17551 8250 1 12 . 1 1 89 89 LYS C C 89 175.487 175.487 175.708 -0.221 17551 8251 1 12 . 1 1 89 89 LYS CA C 89 54.363 54.363 54.499 -0.136 17551 8252 1 12 . 1 1 89 89 LYS CB C 89 33.753 33.753 34.374 -0.621 17551 8253 1 12 . 1 1 89 89 LYS H H 89 7.853 7.853 7.575 0.278 17551 8254 1 12 . 1 1 90 90 ILE N N 90 124.537 124.537 127.197 -2.660 17551 8255 1 12 . 1 1 90 90 ILE HA H 90 4.489 4.489 4.361 0.128 17551 8256 1 12 . 1 1 90 90 ILE C C 90 175.679 175.679 174.898 0.781 17551 8257 1 12 . 1 1 90 90 ILE CA C 90 60.930 60.930 61.366 -0.436 17551 8258 1 12 . 1 1 90 90 ILE CB C 90 38.367 38.367 37.106 1.261 17551 8259 1 12 . 1 1 90 90 ILE H H 90 9.081 9.081 8.773 0.308 17551 8260 1 12 . 1 1 91 91 VAL N N 91 124.871 124.871 128.758 -3.887 17551 8261 1 12 . 1 1 91 91 VAL HA H 91 4.591 4.591 5.049 -0.458 17551 8262 1 12 . 1 1 91 91 VAL C C 91 173.890 173.890 173.337 0.553 17551 8263 1 12 . 1 1 91 91 VAL CA C 91 60.743 60.743 58.882 1.861 17551 8264 1 12 . 1 1 91 91 VAL CB C 91 35.279 35.279 35.587 -0.308 17551 8265 1 12 . 1 1 91 91 VAL H H 91 8.786 8.786 8.711 0.075 17551 8266 1 12 . 1 1 92 92 ALA N N 92 129.590 129.590 130.509 -0.919 17551 8267 1 12 . 1 1 92 92 ALA HA H 92 4.563 4.563 4.669 -0.106 17551 8268 1 12 . 1 1 92 92 ALA C C 92 173.855 173.855 175.021 -1.166 17551 8269 1 12 . 1 1 92 92 ALA CA C 92 49.864 49.864 50.010 -0.146 17551 8270 1 12 . 1 1 92 92 ALA CB C 92 21.948 21.948 22.498 -0.550 17551 8271 1 12 . 1 1 92 92 ALA H H 92 9.228 9.228 9.037 0.191 17551 8272 1 12 . 1 1 93 93 ASP N N 93 121.654 121.654 121.602 0.052 17551 8273 1 12 . 1 1 93 93 ASP HA H 93 5.342 5.342 4.969 0.373 17551 8274 1 12 . 1 1 93 93 ASP C C 93 173.521 173.521 174.729 -1.208 17551 8275 1 12 . 1 1 93 93 ASP CA C 93 53.658 53.658 53.638 0.020 17551 8276 1 12 . 1 1 93 93 ASP CB C 93 44.462 44.462 42.662 1.800 17551 8277 1 12 . 1 1 93 93 ASP H H 93 8.326 8.326 7.759 0.567 17551 8278 1 12 . 1 1 94 94 PHE N N 94 122.296 122.296 123.051 -0.755 17551 8279 1 12 . 1 1 94 94 PHE HA H 94 5.024 5.024 4.866 0.158 17551 8280 1 12 . 1 1 94 94 PHE CA C 94 53.952 53.952 55.419 -1.467 17551 8281 1 12 . 1 1 94 94 PHE CB C 94 38.958 38.958 42.346 -3.388 17551 8282 1 12 . 1 1 94 94 PHE H H 94 8.776 8.776 7.937 0.839 17551 8283 1 12 . 1 1 95 95 PRO HA H 95 4.396 4.396 4.531 -0.135 17551 8284 1 12 . 1 1 95 95 PRO C C 95 177.375 177.375 176.951 0.424 17551 8285 1 12 . 1 1 95 95 PRO CA C 95 64.386 64.386 63.784 0.602 17551 8286 1 12 . 1 1 95 95 PRO CB C 95 30.432 30.432 31.442 -1.010 17551 8287 1 12 . 1 1 96 96 ASN N N 96 120.924 120.924 120.920 0.004 17551 8288 1 12 . 1 1 96 96 ASN HA H 96 4.619 4.619 4.340 0.279 17551 8289 1 12 . 1 1 96 96 ASN C C 96 174.189 174.189 173.385 0.804 17551 8290 1 12 . 1 1 96 96 ASN CA C 96 53.442 53.442 54.511 -1.069 17551 8291 1 12 . 1 1 96 96 ASN CB C 96 38.069 38.069 37.711 0.358 17551 8292 1 12 . 1 1 96 96 ASN H H 96 9.183 9.183 9.105 0.078 17551 8293 1 12 . 1 1 97 97 TYR N N 97 120.943 120.943 119.113 1.830 17551 8294 1 12 . 1 1 97 97 TYR HA H 97 4.804 4.804 5.776 -0.972 17551 8295 1 12 . 1 1 97 97 TYR C C 97 172.713 172.713 173.791 -1.078 17551 8296 1 12 . 1 1 97 97 TYR CA C 97 59.314 59.314 56.479 2.835 17551 8297 1 12 . 1 1 97 97 TYR CB C 97 40.512 40.512 41.107 -0.595 17551 8298 1 12 . 1 1 97 97 TYR H H 97 8.066 8.066 7.358 0.708 17551 8299 1 12 . 1 1 98 98 HIS N N 98 128.370 128.370 127.912 0.458 17551 8300 1 12 . 1 1 98 98 HIS HA H 98 5.466 5.466 5.207 0.259 17551 8301 1 12 . 1 1 98 98 HIS C C 98 172.821 172.821 173.398 -0.577 17551 8302 1 12 . 1 1 98 98 HIS CA C 98 54.311 54.311 54.637 -0.326 17551 8303 1 12 . 1 1 98 98 HIS CB C 98 31.053 31.053 32.536 -1.483 17551 8304 1 12 . 1 1 98 98 HIS H H 98 8.786 8.786 8.726 0.060 17551 8305 1 12 . 1 1 99 99 HIS N N 99 130.146 130.146 128.691 1.455 17551 8306 1 12 . 1 1 99 99 HIS HA H 99 5.689 5.689 5.636 0.053 17551 8307 1 12 . 1 1 99 99 HIS C C 99 173.405 173.405 173.871 -0.466 17551 8308 1 12 . 1 1 99 99 HIS CA C 99 55.101 55.101 54.192 0.909 17551 8309 1 12 . 1 1 99 99 HIS CB C 99 34.888 34.888 32.548 2.340 17551 8310 1 12 . 1 1 99 99 HIS H H 99 8.963 8.963 8.264 0.699 17551 8311 1 12 . 1 1 100 100 THR N N 100 117.843 117.843 119.181 -1.338 17551 8312 1 12 . 1 1 100 100 THR HA H 100 5.597 5.597 5.207 0.390 17551 8313 1 12 . 1 1 100 100 THR C C 100 172.563 172.563 172.641 -0.078 17551 8314 1 12 . 1 1 100 100 THR CA C 100 57.863 57.863 59.845 -1.982 17551 8315 1 12 . 1 1 100 100 THR CB C 100 71.830 71.830 71.288 0.542 17551 8316 1 12 . 1 1 100 100 THR H H 100 8.871 8.871 8.448 0.423 17551 8317 1 12 . 1 1 101 101 ALA N N 101 121.591 121.591 127.453 -5.862 17551 8318 1 12 . 1 1 101 101 ALA HA H 101 5.318 5.318 5.170 0.148 17551 8319 1 12 . 1 1 101 101 ALA C C 101 175.540 175.540 175.588 -0.048 17551 8320 1 12 . 1 1 101 101 ALA CA C 101 50.320 50.320 50.122 0.198 17551 8321 1 12 . 1 1 101 101 ALA CB C 101 22.819 22.819 21.518 1.301 17551 8322 1 12 . 1 1 101 101 ALA H H 101 8.825 8.825 8.982 -0.157 17551 8323 1 12 . 1 1 102 102 GLU N N 102 118.491 118.491 120.757 -2.266 17551 8324 1 12 . 1 1 102 102 GLU HA H 102 5.194 5.194 5.034 0.160 17551 8325 1 12 . 1 1 102 102 GLU C C 102 172.497 172.497 174.263 -1.766 17551 8326 1 12 . 1 1 102 102 GLU CA C 102 53.879 53.879 54.663 -0.784 17551 8327 1 12 . 1 1 102 102 GLU H H 102 8.785 8.785 8.137 0.648 17551 8328 1 12 . 1 1 103 103 ILE N N 103 121.813 121.813 120.609 1.204 17551 8329 1 12 . 1 1 103 103 ILE HA H 103 5.129 5.129 5.216 -0.087 17551 8330 1 12 . 1 1 103 103 ILE C C 103 177.119 177.119 175.826 1.293 17551 8331 1 12 . 1 1 103 103 ILE CA C 103 56.631 56.631 59.391 -2.760 17551 8332 1 12 . 1 1 103 103 ILE CB C 103 34.564 34.564 37.986 -3.422 17551 8333 1 12 . 1 1 103 103 ILE H H 103 8.442 8.442 8.556 -0.114 17551 8334 1 12 . 1 1 104 104 SER N N 104 122.295 122.295 123.092 -0.797 17551 8335 1 12 . 1 1 104 104 SER HA H 104 4.783 4.783 4.617 0.166 17551 8336 1 12 . 1 1 104 104 SER CA C 104 55.521 55.521 57.600 -2.079 17551 8337 1 12 . 1 1 104 104 SER CB C 104 63.426 63.426 64.445 -1.019 17551 8338 1 12 . 1 1 104 104 SER H H 104 9.119 9.119 8.933 0.186 17551 8339 1 12 . 1 1 105 105 GLY C C 105 175.730 175.730 174.998 0.732 17551 8340 1 12 . 1 1 105 105 GLY CA C 105 46.925 46.925 44.858 2.067 17551 8341 1 12 . 1 1 106 106 GLY N N 106 105.123 105.123 105.031 0.092 17551 8342 1 12 . 1 1 106 106 GLY C C 106 173.229 173.229 173.032 0.197 17551 8343 1 12 . 1 1 106 106 GLY CA C 106 44.771 44.771 45.189 -0.418 17551 8344 1 12 . 1 1 106 106 GLY H H 106 8.476 8.476 8.397 0.079 17551 8345 1 12 . 1 1 107 107 LYS N N 107 119.187 119.187 117.664 1.523 17551 8346 1 12 . 1 1 107 107 LYS HA H 107 4.856 4.856 4.626 0.230 17551 8347 1 12 . 1 1 107 107 LYS C C 107 174.072 174.072 174.139 -0.067 17551 8348 1 12 . 1 1 107 107 LYS CA C 107 54.240 54.240 54.696 -0.456 17551 8349 1 12 . 1 1 107 107 LYS CB C 107 34.508 34.508 36.064 -1.556 17551 8350 1 12 . 1 1 107 107 LYS H H 107 7.639 7.639 7.307 0.332 17551 8351 1 12 . 1 1 108 108 LEU N N 108 122.725 122.725 124.589 -1.864 17551 8352 1 12 . 1 1 108 108 LEU HA H 108 4.793 4.793 5.128 -0.335 17551 8353 1 12 . 1 1 108 108 LEU C C 108 174.906 174.906 174.694 0.212 17551 8354 1 12 . 1 1 108 108 LEU CA C 108 54.275 54.275 53.658 0.617 17551 8355 1 12 . 1 1 108 108 LEU CB C 108 42.801 42.801 42.869 -0.068 17551 8356 1 12 . 1 1 108 108 LEU H H 108 8.481 8.481 8.667 -0.186 17551 8357 1 12 . 1 1 109 109 VAL N N 109 130.844 130.844 127.939 2.905 17551 8358 1 12 . 1 1 109 109 VAL HA H 109 4.953 4.953 4.930 0.023 17551 8359 1 12 . 1 1 109 109 VAL C C 109 176.004 176.004 173.913 2.091 17551 8360 1 12 . 1 1 109 109 VAL CA C 109 61.541 61.541 59.764 1.777 17551 8361 1 12 . 1 1 109 109 VAL CB C 109 32.721 32.721 34.764 -2.043 17551 8362 1 12 . 1 1 109 109 VAL H H 109 9.391 9.391 8.863 0.528 17551 8363 1 12 . 1 1 110 110 GLU N N 110 130.618 130.618 129.857 0.761 17551 8364 1 12 . 1 1 110 110 GLU HA H 110 5.393 5.393 5.133 0.260 17551 8365 1 12 . 1 1 110 110 GLU C C 110 175.537 175.537 175.418 0.119 17551 8366 1 12 . 1 1 110 110 GLU CA C 110 53.476 53.476 54.776 -1.300 17551 8367 1 12 . 1 1 110 110 GLU H H 110 9.386 9.386 8.719 0.667 17551 8368 1 12 . 1 1 111 111 ILE N N 111 126.952 126.952 127.263 -0.311 17551 8369 1 12 . 1 1 111 111 ILE HA H 111 4.910 4.910 4.710 0.200 17551 8370 1 12 . 1 1 111 111 ILE C C 111 175.156 175.156 174.776 0.380 17551 8371 1 12 . 1 1 111 111 ILE CA C 111 59.562 59.562 60.009 -0.447 17551 8372 1 12 . 1 1 111 111 ILE CB C 111 39.029 39.029 39.876 -0.847 17551 8373 1 12 . 1 1 111 111 ILE H H 111 8.912 8.912 8.576 0.336 17551 8374 1 12 . 1 1 112 112 SER N N 112 125.389 125.389 124.414 0.975 17551 8375 1 12 . 1 1 112 112 SER HA H 112 5.524 5.524 5.527 -0.003 17551 8376 1 12 . 1 1 112 112 SER C C 112 172.120 172.120 173.685 -1.565 17551 8377 1 12 . 1 1 112 112 SER CA C 112 55.756 55.756 55.864 -0.108 17551 8378 1 12 . 1 1 112 112 SER CB C 112 64.025 64.025 64.384 -0.359 17551 8379 1 12 . 1 1 112 112 SER H H 112 9.495 9.495 9.032 0.463 17551 8380 1 12 . 1 1 113 113 THR N N 113 119.329 119.329 123.409 -4.080 17551 8381 1 12 . 1 1 113 113 THR HA H 113 5.633 5.633 5.163 0.470 17551 8382 1 12 . 1 1 113 113 THR C C 113 174.911 174.911 173.928 0.983 17551 8383 1 12 . 1 1 113 113 THR CA C 113 60.362 60.362 61.215 -0.853 17551 8384 1 12 . 1 1 113 113 THR CB C 113 70.377 70.377 69.790 0.587 17551 8385 1 12 . 1 1 113 113 THR H H 113 9.274 9.274 8.794 0.480 17551 8386 1 12 . 1 1 114 114 SER N N 114 121.027 121.027 122.207 -1.180 17551 8387 1 12 . 1 1 114 114 SER HA H 114 4.479 4.479 5.469 -0.990 17551 8388 1 12 . 1 1 114 114 SER C C 114 174.507 174.507 174.414 0.093 17551 8389 1 12 . 1 1 114 114 SER CA C 114 57.423 57.423 57.207 0.216 17551 8390 1 12 . 1 1 114 114 SER CB C 114 64.798 64.798 65.109 -0.312 17551 8391 1 12 . 1 1 114 114 SER H H 114 8.657 8.657 8.900 -0.243 17551 8392 1 12 . 1 1 115 115 SER N N 115 122.405 122.405 121.946 0.459 17551 8393 1 12 . 1 1 115 115 SER HA H 115 4.092 4.092 4.146 -0.054 17551 8394 1 12 . 1 1 115 115 SER C C 115 174.387 174.387 174.274 0.113 17551 8395 1 12 . 1 1 115 115 SER CA C 115 58.417 58.417 59.824 -1.407 17551 8396 1 12 . 1 1 115 115 SER CB C 115 61.860 61.860 61.678 0.182 17551 8397 1 12 . 1 1 115 115 SER H H 115 9.265 9.265 9.334 -0.069 17551 8398 1 12 . 1 1 116 116 GLY N N 116 103.741 103.741 104.122 -0.381 17551 8399 1 12 . 1 1 116 116 GLY C C 116 173.618 173.618 174.288 -0.670 17551 8400 1 12 . 1 1 116 116 GLY CA C 116 44.584 44.584 44.796 -0.212 17551 8401 1 12 . 1 1 116 116 GLY H H 116 8.730 8.730 8.492 0.238 17551 8402 1 12 . 1 1 117 117 VAL N N 117 123.819 123.819 124.511 -0.692 17551 8403 1 12 . 1 1 117 117 VAL HA H 117 4.242 4.242 4.161 0.081 17551 8404 1 12 . 1 1 117 117 VAL C C 117 173.712 173.712 175.213 -1.501 17551 8405 1 12 . 1 1 117 117 VAL CA C 117 61.946 61.946 62.596 -0.650 17551 8406 1 12 . 1 1 117 117 VAL CB C 117 32.244 32.244 32.097 0.147 17551 8407 1 12 . 1 1 117 117 VAL H H 117 8.177 8.177 7.711 0.466 17551 8408 1 12 . 1 1 118 118 VAL N N 118 127.074 127.074 129.017 -1.943 17551 8409 1 12 . 1 1 118 118 VAL HA H 118 4.519 4.519 4.292 0.227 17551 8410 1 12 . 1 1 118 118 VAL C C 118 174.793 174.793 175.109 -0.316 17551 8411 1 12 . 1 1 118 118 VAL CA C 118 61.227 61.227 60.888 0.339 17551 8412 1 12 . 1 1 118 118 VAL CB C 118 32.503 32.503 30.766 1.737 17551 8413 1 12 . 1 1 118 118 VAL H H 118 8.441 8.441 8.567 -0.126 17551 8414 1 12 . 1 1 119 119 TYR N N 119 131.178 131.178 130.614 0.564 17551 8415 1 12 . 1 1 119 119 TYR HA H 119 5.095 5.095 4.680 0.415 17551 8416 1 12 . 1 1 119 119 TYR C C 119 173.029 173.029 173.509 -0.480 17551 8417 1 12 . 1 1 119 119 TYR CA C 119 54.862 54.862 56.172 -1.310 17551 8418 1 12 . 1 1 119 119 TYR CB C 119 40.213 40.213 40.232 -0.019 17551 8419 1 12 . 1 1 119 119 TYR H H 119 9.315 9.315 9.134 0.181 17551 8420 1 12 . 1 1 120 120 LYS N N 120 126.654 126.654 128.189 -1.535 17551 8421 1 12 . 1 1 120 120 LYS HA H 120 4.922 4.922 4.887 0.035 17551 8422 1 12 . 1 1 120 120 LYS C C 120 173.813 173.813 174.330 -0.517 17551 8423 1 12 . 1 1 120 120 LYS CA C 120 53.685 53.685 54.495 -0.810 17551 8424 1 12 . 1 1 120 120 LYS CB C 120 36.014 36.014 35.407 0.607 17551 8425 1 12 . 1 1 120 120 LYS H H 120 7.342 7.342 8.082 -0.740 17551 8426 1 12 . 1 1 121 121 ARG N N 121 124.124 124.124 124.510 -0.386 17551 8427 1 12 . 1 1 121 121 ARG HA H 121 4.798 4.798 4.885 -0.087 17551 8428 1 12 . 1 1 121 121 ARG C C 121 174.874 174.874 174.681 0.193 17551 8429 1 12 . 1 1 121 121 ARG CB C 121 34.257 34.257 32.507 1.750 17551 8430 1 12 . 1 1 121 121 ARG H H 121 9.087 9.087 8.667 0.420 17551 8431 1 12 . 1 1 122 122 THR N N 122 122.859 122.859 122.188 0.671 17551 8432 1 12 . 1 1 122 122 THR HA H 122 5.224 5.224 5.201 0.023 17551 8433 1 12 . 1 1 122 122 THR C C 122 174.321 174.321 174.053 0.268 17551 8434 1 12 . 1 1 122 122 THR CA C 122 62.177 62.177 61.806 0.371 17551 8435 1 12 . 1 1 122 122 THR CB C 122 69.459 69.459 70.295 -0.836 17551 8436 1 12 . 1 1 122 122 THR H H 122 9.358 9.358 8.852 0.506 17551 8437 1 12 . 1 1 123 123 SER N N 123 123.389 123.389 122.405 0.984 17551 8438 1 12 . 1 1 123 123 SER HA H 123 5.196 5.196 5.430 -0.234 17551 8439 1 12 . 1 1 123 123 SER C C 123 172.464 172.464 173.431 -0.967 17551 8440 1 12 . 1 1 123 123 SER CA C 123 57.571 57.571 57.235 0.336 17551 8441 1 12 . 1 1 123 123 SER CB C 123 65.697 65.697 66.580 -0.883 17551 8442 1 12 . 1 1 123 123 SER H H 123 9.749 9.749 9.312 0.437 17551 8443 1 12 . 1 1 124 124 LYS N N 124 125.058 125.058 122.947 2.111 17551 8444 1 12 . 1 1 124 124 LYS HA H 124 4.681 4.681 4.526 0.155 17551 8445 1 12 . 1 1 124 124 LYS C C 124 175.141 175.141 175.590 -0.449 17551 8446 1 12 . 1 1 124 124 LYS CA C 124 54.444 54.444 55.607 -1.163 17551 8447 1 12 . 1 1 124 124 LYS CB C 124 33.492 33.492 33.939 -0.447 17551 8448 1 12 . 1 1 124 124 LYS H H 124 8.808 8.808 8.271 0.537 17551 8449 1 12 . 1 1 125 125 LYS N N 125 126.114 126.114 123.159 2.955 17551 8450 1 12 . 1 1 125 125 LYS HA H 125 4.367 4.367 4.942 -0.575 17551 8451 1 12 . 1 1 125 125 LYS C C 125 176.828 176.828 175.479 1.349 17551 8452 1 12 . 1 1 125 125 LYS CA C 125 56.752 56.752 55.033 1.719 17551 8453 1 12 . 1 1 125 125 LYS CB C 125 32.912 32.912 32.803 0.109 17551 8454 1 12 . 1 1 125 125 LYS H H 125 9.215 9.215 8.596 0.619 17551 8455 1 12 . 1 1 126 126 ILE N N 126 125.207 125.207 124.801 0.406 17551 8456 1 12 . 1 1 126 126 ILE HA H 126 4.302 4.302 4.590 -0.288 17551 8457 1 12 . 1 1 126 126 ILE C C 126 175.240 175.240 173.782 1.458 17551 8458 1 12 . 1 1 126 126 ILE CA C 126 60.067 60.067 59.647 0.420 17551 8459 1 12 . 1 1 126 126 ILE CB C 126 38.611 38.611 41.690 -3.079 17551 8460 1 12 . 1 1 126 126 ILE H H 126 8.777 8.777 8.726 0.051 17551 8461 1 13 . 1 1 2 2 PHE N N 2 114.421 114.421 119.085 -4.664 17551 8462 1 13 . 1 1 2 2 PHE HA H 2 4.205 4.205 4.920 -0.715 17551 8463 1 13 . 1 1 2 2 PHE C C 2 177.675 177.675 176.784 0.891 17551 8464 1 13 . 1 1 2 2 PHE CA C 2 59.748 59.748 57.917 1.831 17551 8465 1 13 . 1 1 2 2 PHE CB C 2 41.014 41.014 39.215 1.799 17551 8466 1 13 . 1 1 2 2 PHE H H 2 9.501 9.501 8.445 1.056 17551 8467 1 13 . 1 1 3 3 THR N N 3 118.304 118.304 116.853 1.451 17551 8468 1 13 . 1 1 3 3 THR HA H 3 4.021 4.021 4.359 -0.338 17551 8469 1 13 . 1 1 3 3 THR C C 3 173.811 173.811 174.856 -1.045 17551 8470 1 13 . 1 1 3 3 THR CA C 3 63.646 63.646 64.051 -0.405 17551 8471 1 13 . 1 1 3 3 THR CB C 3 69.230 69.230 69.338 -0.108 17551 8472 1 13 . 1 1 3 3 THR H H 3 7.721 7.721 8.139 -0.418 17551 8473 1 13 . 1 1 4 4 GLY N N 4 113.320 113.320 111.530 1.790 17551 8474 1 13 . 1 1 4 4 GLY C C 4 169.382 169.382 171.925 -2.543 17551 8475 1 13 . 1 1 4 4 GLY CA C 4 44.343 44.343 44.434 -0.091 17551 8476 1 13 . 1 1 4 4 GLY H H 4 8.881 8.881 8.747 0.134 17551 8477 1 13 . 1 1 5 5 LYS N N 5 120.330 120.330 120.336 -0.006 17551 8478 1 13 . 1 1 5 5 LYS HA H 5 5.255 5.255 5.280 -0.025 17551 8479 1 13 . 1 1 5 5 LYS C C 5 174.306 174.306 174.862 -0.556 17551 8480 1 13 . 1 1 5 5 LYS CA C 5 54.232 54.232 54.473 -0.241 17551 8481 1 13 . 1 1 5 5 LYS CB C 5 35.137 35.137 35.268 -0.131 17551 8482 1 13 . 1 1 5 5 LYS H H 5 7.914 7.914 7.845 0.070 17551 8483 1 13 . 1 1 6 6 TYR N N 6 122.260 122.260 121.682 0.578 17551 8484 1 13 . 1 1 6 6 TYR HA H 6 5.617 5.617 5.718 -0.101 17551 8485 1 13 . 1 1 6 6 TYR C C 6 174.519 174.519 175.361 -0.842 17551 8486 1 13 . 1 1 6 6 TYR CA C 6 55.158 55.158 56.266 -1.108 17551 8487 1 13 . 1 1 6 6 TYR CB C 6 41.637 41.637 42.675 -1.038 17551 8488 1 13 . 1 1 6 6 TYR H H 6 9.736 9.736 8.770 0.966 17551 8489 1 13 . 1 1 7 7 GLU N N 7 122.025 122.025 121.008 1.017 17551 8490 1 13 . 1 1 7 7 GLU HA H 7 5.096 5.096 5.268 -0.172 17551 8491 1 13 . 1 1 7 7 GLU C C 7 174.888 174.888 175.568 -0.680 17551 8492 1 13 . 1 1 7 7 GLU CA C 7 53.988 53.988 53.811 0.177 17551 8493 1 13 . 1 1 7 7 GLU CB C 7 33.716 33.716 34.572 -0.856 17551 8494 1 13 . 1 1 7 7 GLU H H 7 9.461 9.461 8.463 0.998 17551 8495 1 13 . 1 1 8 8 PHE N N 8 126.529 126.529 125.168 1.361 17551 8496 1 13 . 1 1 8 8 PHE HA H 8 4.599 4.599 4.264 0.335 17551 8497 1 13 . 1 1 8 8 PHE C C 8 172.999 172.999 174.372 -1.373 17551 8498 1 13 . 1 1 8 8 PHE CA C 8 59.847 59.847 59.841 0.006 17551 8499 1 13 . 1 1 8 8 PHE CB C 8 40.687 40.687 39.215 1.472 17551 8500 1 13 . 1 1 8 8 PHE H H 8 7.986 7.986 8.780 -0.794 17551 8501 1 13 . 1 1 9 9 GLU N N 9 129.046 129.046 126.629 2.417 17551 8502 1 13 . 1 1 9 9 GLU HA H 9 4.306 4.306 4.218 0.088 17551 8503 1 13 . 1 1 9 9 GLU C C 9 174.528 174.528 175.560 -1.032 17551 8504 1 13 . 1 1 9 9 GLU CA C 9 56.545 56.545 56.557 -0.012 17551 8505 1 13 . 1 1 9 9 GLU CB C 9 32.798 32.798 32.179 0.619 17551 8506 1 13 . 1 1 9 9 GLU H H 9 9.151 9.151 8.371 0.780 17551 8507 1 13 . 1 1 10 10 SER N N 10 111.041 111.041 113.097 -2.056 17551 8508 1 13 . 1 1 10 10 SER HA H 10 4.258 4.258 4.636 -0.378 17551 8509 1 13 . 1 1 10 10 SER C C 10 171.216 171.216 171.998 -0.782 17551 8510 1 13 . 1 1 10 10 SER CA C 10 57.930 57.930 57.547 0.383 17551 8511 1 13 . 1 1 10 10 SER CB C 10 64.720 64.720 66.083 -1.363 17551 8512 1 13 . 1 1 10 10 SER H H 10 7.612 7.612 7.945 -0.333 17551 8513 1 13 . 1 1 11 11 ASP N N 11 118.058 118.058 118.419 -0.361 17551 8514 1 13 . 1 1 11 11 ASP HA H 11 5.500 5.500 5.257 0.243 17551 8515 1 13 . 1 1 11 11 ASP C C 11 174.845 174.845 174.334 0.511 17551 8516 1 13 . 1 1 11 11 ASP CA C 11 51.633 51.633 53.592 -1.958 17551 8517 1 13 . 1 1 11 11 ASP H H 11 8.632 8.632 8.499 0.133 17551 8518 1 13 . 1 1 12 12 GLU N N 12 117.523 117.523 120.165 -2.642 17551 8519 1 13 . 1 1 12 12 GLU HA H 12 4.782 4.782 4.612 0.170 17551 8520 1 13 . 1 1 12 12 GLU C C 12 175.293 175.293 175.219 0.074 17551 8521 1 13 . 1 1 12 12 GLU CB C 12 33.450 33.450 33.001 0.449 17551 8522 1 13 . 1 1 12 12 GLU H H 12 8.562 8.562 8.819 -0.257 17551 8523 1 13 . 1 1 13 13 ASN N N 13 118.877 118.877 120.968 -2.091 17551 8524 1 13 . 1 1 13 13 ASN HA H 13 4.742 4.742 4.494 0.248 17551 8525 1 13 . 1 1 13 13 ASN C C 13 175.303 175.303 175.152 0.151 17551 8526 1 13 . 1 1 13 13 ASN CA C 13 53.373 53.373 54.783 -1.411 17551 8527 1 13 . 1 1 13 13 ASN CB C 13 37.207 37.207 37.239 -0.032 17551 8528 1 13 . 1 1 13 13 ASN H H 13 9.110 9.110 9.182 -0.072 17551 8529 1 13 . 1 1 14 14 TYR N N 14 118.061 118.061 120.736 -2.675 17551 8530 1 13 . 1 1 14 14 TYR HA H 14 4.015 4.015 4.011 0.004 17551 8531 1 13 . 1 1 14 14 TYR C C 14 176.581 176.581 176.384 0.197 17551 8532 1 13 . 1 1 14 14 TYR CA C 14 62.797 62.797 63.342 -0.545 17551 8533 1 13 . 1 1 14 14 TYR CB C 14 38.998 38.998 38.558 0.440 17551 8534 1 13 . 1 1 14 14 TYR H H 14 8.731 8.731 7.787 0.944 17551 8535 1 13 . 1 1 15 15 ASP N N 15 115.317 115.317 118.055 -2.738 17551 8536 1 13 . 1 1 15 15 ASP HA H 15 4.112 4.112 4.304 -0.192 17551 8537 1 13 . 1 1 15 15 ASP C C 15 178.333 178.333 178.478 -0.145 17551 8538 1 13 . 1 1 15 15 ASP CA C 15 57.819 57.819 58.585 -0.766 17551 8539 1 13 . 1 1 15 15 ASP CB C 15 40.410 40.410 39.938 0.472 17551 8540 1 13 . 1 1 15 15 ASP H H 15 8.316 8.316 9.113 -0.797 17551 8541 1 13 . 1 1 16 16 ASP N N 16 117.774 117.774 119.716 -1.942 17551 8542 1 13 . 1 1 16 16 ASP HA H 16 4.392 4.392 4.399 -0.007 17551 8543 1 13 . 1 1 16 16 ASP C C 16 178.597 178.597 177.950 0.647 17551 8544 1 13 . 1 1 16 16 ASP CA C 16 56.348 56.348 57.629 -1.281 17551 8545 1 13 . 1 1 16 16 ASP CB C 16 39.883 39.883 41.068 -1.185 17551 8546 1 13 . 1 1 16 16 ASP H H 16 8.449 8.449 8.140 0.309 17551 8547 1 13 . 1 1 17 17 PHE N N 17 120.363 120.363 121.140 -0.777 17551 8548 1 13 . 1 1 17 17 PHE HA H 17 4.068 4.068 4.021 0.047 17551 8549 1 13 . 1 1 17 17 PHE C C 17 176.755 176.755 176.913 -0.158 17551 8550 1 13 . 1 1 17 17 PHE CA C 17 61.840 61.840 61.524 0.316 17551 8551 1 13 . 1 1 17 17 PHE CB C 17 39.794 39.794 39.014 0.780 17551 8552 1 13 . 1 1 17 17 PHE H H 17 7.931 7.931 8.182 -0.251 17551 8553 1 13 . 1 1 18 18 VAL N N 18 110.180 110.180 116.837 -6.657 17551 8554 1 13 . 1 1 18 18 VAL HA H 18 3.595 3.595 3.324 0.271 17551 8555 1 13 . 1 1 18 18 VAL C C 18 178.434 178.434 177.571 0.863 17551 8556 1 13 . 1 1 18 18 VAL CA C 18 64.697 64.697 66.566 -1.869 17551 8557 1 13 . 1 1 18 18 VAL CB C 18 29.602 29.602 31.027 -1.425 17551 8558 1 13 . 1 1 18 18 VAL H H 18 8.294 8.294 8.422 -0.128 17551 8559 1 13 . 1 1 19 19 LYS N N 19 119.749 119.749 118.621 1.128 17551 8560 1 13 . 1 1 19 19 LYS HA H 19 4.108 4.108 4.064 0.044 17551 8561 1 13 . 1 1 19 19 LYS C C 19 179.796 179.796 178.938 0.858 17551 8562 1 13 . 1 1 19 19 LYS CA C 19 58.320 58.320 58.429 -0.109 17551 8563 1 13 . 1 1 19 19 LYS CB C 19 31.918 31.918 32.036 -0.118 17551 8564 1 13 . 1 1 19 19 LYS H H 19 7.382 7.382 7.956 -0.574 17551 8565 1 13 . 1 1 20 20 LYS N N 20 121.187 121.187 119.764 1.423 17551 8566 1 13 . 1 1 20 20 LYS HA H 20 4.071 4.071 4.087 -0.016 17551 8567 1 13 . 1 1 20 20 LYS C C 20 179.071 179.071 178.900 0.171 17551 8568 1 13 . 1 1 20 20 LYS CA C 20 57.347 57.347 58.236 -0.889 17551 8569 1 13 . 1 1 20 20 LYS CB C 20 30.633 30.633 32.466 -1.833 17551 8570 1 13 . 1 1 20 20 LYS H H 20 7.718 7.718 7.525 0.193 17551 8571 1 13 . 1 1 21 21 ILE N N 21 109.363 109.363 111.782 -2.419 17551 8572 1 13 . 1 1 21 21 ILE HA H 21 4.212 4.212 3.914 0.298 17551 8573 1 13 . 1 1 21 21 ILE C C 21 176.366 176.366 176.042 0.324 17551 8574 1 13 . 1 1 21 21 ILE CA C 21 61.610 61.610 61.842 -0.232 17551 8575 1 13 . 1 1 21 21 ILE CB C 21 36.968 36.968 38.026 -1.058 17551 8576 1 13 . 1 1 21 21 ILE H H 21 7.591 7.591 7.670 -0.079 17551 8577 1 13 . 1 1 22 22 GLY N N 22 107.961 107.961 107.890 0.071 17551 8578 1 13 . 1 1 22 22 GLY C C 22 174.877 174.877 174.664 0.213 17551 8579 1 13 . 1 1 22 22 GLY CA C 22 45.510 45.510 44.550 0.959 17551 8580 1 13 . 1 1 22 22 GLY H H 22 7.260 7.260 7.257 0.003 17551 8581 1 13 . 1 1 23 23 LEU N N 23 120.597 120.597 123.102 -2.505 17551 8582 1 13 . 1 1 23 23 LEU HA H 23 4.207 4.207 4.537 -0.330 17551 8583 1 13 . 1 1 23 23 LEU CA C 23 52.923 52.923 52.244 0.679 17551 8584 1 13 . 1 1 23 23 LEU CB C 23 42.241 42.241 42.441 -0.200 17551 8585 1 13 . 1 1 23 23 LEU H H 23 7.314 7.314 7.987 -0.673 17551 8586 1 13 . 1 1 24 24 PRO HA H 24 4.537 4.537 4.450 0.087 17551 8587 1 13 . 1 1 24 24 PRO C C 24 177.702 177.702 177.302 0.400 17551 8588 1 13 . 1 1 24 24 PRO CA C 24 61.891 61.891 62.377 -0.486 17551 8589 1 13 . 1 1 24 24 PRO CB C 24 32.260 32.260 32.599 -0.339 17551 8590 1 13 . 1 1 25 25 ALA N N 25 123.142 123.142 127.371 -4.229 17551 8591 1 13 . 1 1 25 25 ALA HA H 25 3.935 3.935 3.999 -0.064 17551 8592 1 13 . 1 1 25 25 ALA C C 25 179.461 179.461 179.363 0.098 17551 8593 1 13 . 1 1 25 25 ALA CA C 25 55.314 55.314 55.564 -0.250 17551 8594 1 13 . 1 1 25 25 ALA CB C 25 18.220 18.220 18.449 -0.229 17551 8595 1 13 . 1 1 25 25 ALA H H 25 8.738 8.738 8.728 0.010 17551 8596 1 13 . 1 1 26 26 ASP N N 26 115.440 115.440 118.079 -2.639 17551 8597 1 13 . 1 1 26 26 ASP HA H 26 4.379 4.379 4.348 0.031 17551 8598 1 13 . 1 1 26 26 ASP C C 26 179.291 179.291 178.845 0.446 17551 8599 1 13 . 1 1 26 26 ASP CA C 26 56.015 56.015 57.787 -1.772 17551 8600 1 13 . 1 1 26 26 ASP CB C 26 38.136 38.136 40.227 -2.091 17551 8601 1 13 . 1 1 26 26 ASP H H 26 8.971 8.971 8.848 0.123 17551 8602 1 13 . 1 1 27 27 LYS N N 27 122.292 122.292 118.823 3.469 17551 8603 1 13 . 1 1 27 27 LYS HA H 27 4.160 4.160 4.298 -0.138 17551 8604 1 13 . 1 1 27 27 LYS C C 27 177.758 177.758 178.769 -1.011 17551 8605 1 13 . 1 1 27 27 LYS CA C 27 58.022 58.022 57.566 0.456 17551 8606 1 13 . 1 1 27 27 LYS CB C 27 31.334 31.334 32.486 -1.153 17551 8607 1 13 . 1 1 27 27 LYS H H 27 7.434 7.434 7.561 -0.127 17551 8608 1 13 . 1 1 28 28 ILE N N 28 119.737 119.737 122.269 -2.532 17551 8609 1 13 . 1 1 28 28 ILE HA H 28 3.586 3.586 3.862 -0.276 17551 8610 1 13 . 1 1 28 28 ILE C C 28 180.386 180.386 178.263 2.123 17551 8611 1 13 . 1 1 28 28 ILE CA C 28 65.027 65.027 65.348 -0.321 17551 8612 1 13 . 1 1 28 28 ILE CB C 28 37.002 37.002 38.151 -1.149 17551 8613 1 13 . 1 1 28 28 ILE H H 28 8.016 8.016 8.525 -0.509 17551 8614 1 13 . 1 1 29 29 GLU N N 29 117.216 117.216 116.900 0.316 17551 8615 1 13 . 1 1 29 29 GLU HA H 29 4.294 4.294 4.076 0.218 17551 8616 1 13 . 1 1 29 29 GLU C C 29 179.024 179.024 178.993 0.031 17551 8617 1 13 . 1 1 29 29 GLU CA C 29 58.139 58.139 58.508 -0.369 17551 8618 1 13 . 1 1 29 29 GLU CB C 29 28.028 28.028 29.386 -1.358 17551 8619 1 13 . 1 1 29 29 GLU H H 29 7.755 7.755 8.436 -0.681 17551 8620 1 13 . 1 1 30 30 MET N N 30 119.183 119.183 120.268 -1.085 17551 8621 1 13 . 1 1 30 30 MET HA H 30 4.194 4.194 4.427 -0.233 17551 8622 1 13 . 1 1 30 30 MET C C 30 177.683 177.683 177.458 0.225 17551 8623 1 13 . 1 1 30 30 MET CA C 30 58.150 58.150 57.063 1.087 17551 8624 1 13 . 1 1 30 30 MET CB C 30 33.162 33.162 33.185 -0.023 17551 8625 1 13 . 1 1 30 30 MET H H 30 7.659 7.659 7.565 0.094 17551 8626 1 13 . 1 1 31 31 GLY N N 31 102.603 102.603 103.287 -0.684 17551 8627 1 13 . 1 1 31 31 GLY C C 31 172.264 172.264 173.323 -1.059 17551 8628 1 13 . 1 1 31 31 GLY CA C 31 45.433 45.433 44.544 0.889 17551 8629 1 13 . 1 1 31 31 GLY H H 31 7.839 7.839 8.171 -0.332 17551 8630 1 13 . 1 1 32 32 ARG N N 32 121.453 121.453 121.595 -0.142 17551 8631 1 13 . 1 1 32 32 ARG HA H 32 3.072 3.072 3.847 -0.775 17551 8632 1 13 . 1 1 32 32 ARG C C 32 175.932 175.932 175.052 0.880 17551 8633 1 13 . 1 1 32 32 ARG CA C 32 56.894 56.894 56.022 0.872 17551 8634 1 13 . 1 1 32 32 ARG CB C 32 29.004 29.004 29.815 -0.811 17551 8635 1 13 . 1 1 32 32 ARG H H 32 6.954 6.954 7.349 -0.395 17551 8636 1 13 . 1 1 33 33 ASN N N 33 127.905 127.905 117.334 10.571 17551 8637 1 13 . 1 1 33 33 ASN HA H 33 4.066 4.066 3.448 0.618 17551 8638 1 13 . 1 1 33 33 ASN C C 33 173.939 173.939 174.161 -0.222 17551 8639 1 13 . 1 1 33 33 ASN CA C 33 53.539 53.539 53.633 -0.094 17551 8640 1 13 . 1 1 33 33 ASN CB C 33 37.017 37.017 36.129 0.888 17551 8641 1 13 . 1 1 33 33 ASN H H 33 8.990 8.990 7.974 1.016 17551 8642 1 13 . 1 1 34 34 CYS N N 34 116.649 116.649 116.354 0.295 17551 8643 1 13 . 1 1 34 34 CYS HA H 34 4.018 4.018 4.347 -0.329 17551 8644 1 13 . 1 1 34 34 CYS C C 34 175.384 175.384 175.595 -0.211 17551 8645 1 13 . 1 1 34 34 CYS CA C 34 57.216 57.216 58.368 -1.152 17551 8646 1 13 . 1 1 34 34 CYS CB C 34 27.200 27.200 29.662 -2.462 17551 8647 1 13 . 1 1 34 34 CYS H H 34 7.443 7.443 7.668 -0.225 17551 8648 1 13 . 1 1 35 35 LYS N N 35 130.727 130.727 121.812 8.915 17551 8649 1 13 . 1 1 35 35 LYS HA H 35 4.296 4.296 4.372 -0.076 17551 8650 1 13 . 1 1 35 35 LYS C C 35 175.272 175.272 175.151 0.121 17551 8651 1 13 . 1 1 35 35 LYS CA C 35 55.577 55.577 56.349 -0.772 17551 8652 1 13 . 1 1 35 35 LYS CB C 35 29.487 29.487 30.352 -0.865 17551 8653 1 13 . 1 1 35 35 LYS H H 35 8.691 8.691 8.580 0.111 17551 8654 1 13 . 1 1 36 36 ILE N N 36 125.658 125.658 124.728 0.930 17551 8655 1 13 . 1 1 36 36 ILE HA H 36 4.010 4.010 4.543 -0.533 17551 8656 1 13 . 1 1 36 36 ILE C C 36 177.115 177.115 175.941 1.174 17551 8657 1 13 . 1 1 36 36 ILE CA C 36 62.608 62.608 58.685 3.923 17551 8658 1 13 . 1 1 36 36 ILE CB C 36 39.739 39.739 37.311 2.428 17551 8659 1 13 . 1 1 36 36 ILE H H 36 7.658 7.658 8.169 -0.511 17551 8660 1 13 . 1 1 37 37 VAL N N 37 130.730 130.730 129.456 1.274 17551 8661 1 13 . 1 1 37 37 VAL HA H 37 5.105 5.105 5.020 0.085 17551 8662 1 13 . 1 1 37 37 VAL C C 37 175.295 175.295 175.983 -0.688 17551 8663 1 13 . 1 1 37 37 VAL CA C 37 60.845 60.845 61.483 -0.638 17551 8664 1 13 . 1 1 37 37 VAL CB C 37 33.716 33.716 32.857 0.859 17551 8665 1 13 . 1 1 37 37 VAL H H 37 7.909 7.909 8.406 -0.497 17551 8666 1 13 . 1 1 38 38 THR N N 38 127.066 127.066 125.546 1.520 17551 8667 1 13 . 1 1 38 38 THR HA H 38 5.405 5.405 5.193 0.212 17551 8668 1 13 . 1 1 38 38 THR C C 38 174.035 174.035 173.822 0.213 17551 8669 1 13 . 1 1 38 38 THR CA C 38 61.303 61.303 61.359 -0.056 17551 8670 1 13 . 1 1 38 38 THR CB C 38 70.474 70.474 69.312 1.162 17551 8671 1 13 . 1 1 38 38 THR H H 38 9.393 9.393 9.280 0.113 17551 8672 1 13 . 1 1 39 39 GLU N N 39 126.804 126.804 129.215 -2.411 17551 8673 1 13 . 1 1 39 39 GLU HA H 39 5.216 5.216 4.736 0.480 17551 8674 1 13 . 1 1 39 39 GLU C C 39 174.379 174.379 175.045 -0.666 17551 8675 1 13 . 1 1 39 39 GLU CA C 39 54.232 54.232 55.703 -1.471 17551 8676 1 13 . 1 1 39 39 GLU CB C 39 32.531 32.531 31.283 1.248 17551 8677 1 13 . 1 1 39 39 GLU H H 39 9.728 9.728 9.128 0.600 17551 8678 1 13 . 1 1 40 40 VAL N N 40 125.405 125.405 126.445 -1.040 17551 8679 1 13 . 1 1 40 40 VAL HA H 40 4.859 4.859 5.421 -0.562 17551 8680 1 13 . 1 1 40 40 VAL C C 40 176.139 176.139 175.314 0.825 17551 8681 1 13 . 1 1 40 40 VAL CA C 40 60.091 60.091 60.241 -0.150 17551 8682 1 13 . 1 1 40 40 VAL CB C 40 33.952 33.952 33.432 0.520 17551 8683 1 13 . 1 1 40 40 VAL H H 40 9.326 9.326 9.031 0.295 17551 8684 1 13 . 1 1 41 41 VAL N N 41 127.197 127.197 128.481 -1.284 17551 8685 1 13 . 1 1 41 41 VAL HA H 41 4.144 4.144 4.366 -0.222 17551 8686 1 13 . 1 1 41 41 VAL C C 41 173.604 173.604 174.181 -0.577 17551 8687 1 13 . 1 1 41 41 VAL CA C 41 62.522 62.522 60.991 1.531 17551 8688 1 13 . 1 1 41 41 VAL CB C 41 33.757 33.757 33.146 0.611 17551 8689 1 13 . 1 1 41 41 VAL H H 41 8.811 8.811 8.380 0.431 17551 8690 1 13 . 1 1 42 42 GLN N N 42 130.317 130.317 127.628 2.689 17551 8691 1 13 . 1 1 42 42 GLN HA H 42 4.430 4.430 4.110 0.320 17551 8692 1 13 . 1 1 42 42 GLN C C 42 174.239 174.239 175.095 -0.856 17551 8693 1 13 . 1 1 42 42 GLN CA C 42 52.960 52.960 55.006 -2.046 17551 8694 1 13 . 1 1 42 42 GLN CB C 42 29.877 29.877 29.244 0.633 17551 8695 1 13 . 1 1 42 42 GLN H H 42 8.345 8.345 8.765 -0.420 17551 8696 1 13 . 1 1 43 43 ASN N N 43 125.513 125.513 125.150 0.363 17551 8697 1 13 . 1 1 43 43 ASN HA H 43 4.826 4.826 4.874 -0.048 17551 8698 1 13 . 1 1 43 43 ASN C C 43 175.350 175.350 175.325 0.025 17551 8699 1 13 . 1 1 43 43 ASN CA C 43 51.303 51.303 51.904 -0.601 17551 8700 1 13 . 1 1 43 43 ASN CB C 43 39.051 39.051 38.544 0.506 17551 8701 1 13 . 1 1 43 43 ASN H H 43 8.772 8.772 8.030 0.742 17551 8702 1 13 . 1 1 44 44 GLY N N 44 115.694 115.694 111.232 4.462 17551 8703 1 13 . 1 1 44 44 GLY C C 44 173.199 173.199 174.413 -1.214 17551 8704 1 13 . 1 1 44 44 GLY CA C 44 46.964 46.964 46.185 0.779 17551 8705 1 13 . 1 1 44 44 GLY H H 44 9.187 9.187 8.364 0.823 17551 8706 1 13 . 1 1 45 45 ASN N N 45 125.520 125.520 124.031 1.489 17551 8707 1 13 . 1 1 45 45 ASN HA H 45 4.991 4.991 4.845 0.146 17551 8708 1 13 . 1 1 45 45 ASN C C 45 173.822 173.822 173.366 0.456 17551 8709 1 13 . 1 1 45 45 ASN CA C 45 52.215 52.215 52.588 -0.373 17551 8710 1 13 . 1 1 45 45 ASN CB C 45 38.700 38.700 39.857 -1.157 17551 8711 1 13 . 1 1 45 45 ASN H H 45 8.854 8.854 8.451 0.403 17551 8712 1 13 . 1 1 46 46 ASP N N 46 120.842 120.842 120.547 0.295 17551 8713 1 13 . 1 1 46 46 ASP HA H 46 5.185 5.185 5.080 0.105 17551 8714 1 13 . 1 1 46 46 ASP C C 46 174.705 174.705 174.209 0.496 17551 8715 1 13 . 1 1 46 46 ASP CA C 46 53.658 53.658 53.192 0.466 17551 8716 1 13 . 1 1 46 46 ASP CB C 46 41.025 41.025 41.610 -0.585 17551 8717 1 13 . 1 1 46 46 ASP H H 46 7.921 7.921 7.294 0.627 17551 8718 1 13 . 1 1 47 47 PHE N N 47 121.470 121.470 125.082 -3.612 17551 8719 1 13 . 1 1 47 47 PHE HA H 47 5.161 5.161 5.300 -0.139 17551 8720 1 13 . 1 1 47 47 PHE C C 47 177.125 177.125 175.388 1.737 17551 8721 1 13 . 1 1 47 47 PHE CA C 47 56.591 56.591 55.737 0.854 17551 8722 1 13 . 1 1 47 47 PHE CB C 47 44.035 44.035 42.094 1.941 17551 8723 1 13 . 1 1 47 47 PHE H H 47 9.263 9.263 8.496 0.767 17551 8724 1 13 . 1 1 48 48 THR N N 48 116.950 116.950 114.989 1.961 17551 8725 1 13 . 1 1 48 48 THR HA H 48 4.861 4.861 4.985 -0.124 17551 8726 1 13 . 1 1 48 48 THR C C 48 172.499 172.499 173.867 -1.368 17551 8727 1 13 . 1 1 48 48 THR CA C 48 62.943 62.943 61.032 1.911 17551 8728 1 13 . 1 1 48 48 THR CB C 48 70.360 70.360 70.515 -0.155 17551 8729 1 13 . 1 1 48 48 THR H H 48 8.831 8.831 8.394 0.437 17551 8730 1 13 . 1 1 49 49 TRP N N 49 132.266 132.266 127.697 4.569 17551 8731 1 13 . 1 1 49 49 TRP HA H 49 4.955 4.955 5.040 -0.085 17551 8732 1 13 . 1 1 49 49 TRP C C 49 175.842 175.842 174.973 0.869 17551 8733 1 13 . 1 1 49 49 TRP CA C 49 57.286 57.286 56.143 1.143 17551 8734 1 13 . 1 1 49 49 TRP CB C 49 31.894 31.894 32.279 -0.385 17551 8735 1 13 . 1 1 49 49 TRP H H 49 9.914 9.914 9.674 0.240 17551 8736 1 13 . 1 1 50 50 THR N N 50 131.707 131.707 123.595 8.112 17551 8737 1 13 . 1 1 50 50 THR HA H 50 5.928 5.928 4.862 1.066 17551 8738 1 13 . 1 1 50 50 THR C C 50 173.408 173.408 174.011 -0.603 17551 8739 1 13 . 1 1 50 50 THR CA C 50 60.993 60.993 61.197 -0.204 17551 8740 1 13 . 1 1 50 50 THR CB C 50 70.957 70.957 69.123 1.834 17551 8741 1 13 . 1 1 50 50 THR H H 50 9.524 9.524 8.633 0.891 17551 8742 1 13 . 1 1 51 51 GLN N N 51 124.680 124.680 127.097 -2.417 17551 8743 1 13 . 1 1 51 51 GLN HA H 51 5.056 5.056 5.159 -0.103 17551 8744 1 13 . 1 1 51 51 GLN C C 51 175.328 175.328 175.220 0.108 17551 8745 1 13 . 1 1 51 51 GLN CA C 51 56.309 56.309 53.996 2.313 17551 8746 1 13 . 1 1 51 51 GLN CB C 51 29.046 29.046 29.706 -0.660 17551 8747 1 13 . 1 1 51 51 GLN H H 51 9.456 9.456 9.313 0.143 17551 8748 1 13 . 1 1 52 52 HIS N N 52 122.268 122.268 124.444 -2.176 17551 8749 1 13 . 1 1 52 52 HIS HA H 52 5.051 5.051 4.892 0.159 17551 8750 1 13 . 1 1 52 52 HIS C C 52 174.819 174.819 174.058 0.761 17551 8751 1 13 . 1 1 52 52 HIS CA C 52 54.039 54.039 55.140 -1.101 17551 8752 1 13 . 1 1 52 52 HIS CB C 52 29.432 29.432 31.753 -2.321 17551 8753 1 13 . 1 1 52 52 HIS H H 52 9.534 9.534 9.104 0.430 17551 8754 1 13 . 1 1 53 53 PHE N N 53 129.837 129.837 125.556 4.281 17551 8755 1 13 . 1 1 53 53 PHE HA H 53 4.584 4.584 4.933 -0.349 17551 8756 1 13 . 1 1 53 53 PHE CA C 53 56.312 56.312 53.527 2.785 17551 8757 1 13 . 1 1 53 53 PHE CB C 53 40.660 40.660 41.386 -0.726 17551 8758 1 13 . 1 1 53 53 PHE H H 53 8.641 8.641 8.716 -0.075 17551 8759 1 13 . 1 1 54 54 PRO HA H 54 4.291 4.291 4.371 -0.080 17551 8760 1 13 . 1 1 54 54 PRO C C 54 177.389 177.389 176.620 0.769 17551 8761 1 13 . 1 1 54 54 PRO CA C 54 63.569 63.569 63.512 0.057 17551 8762 1 13 . 1 1 54 54 PRO CB C 54 30.471 30.471 31.068 -0.597 17551 8763 1 13 . 1 1 55 55 GLY N N 55 113.867 113.867 113.051 0.816 17551 8764 1 13 . 1 1 55 55 GLY C C 55 175.164 175.164 174.067 1.097 17551 8765 1 13 . 1 1 55 55 GLY CA C 55 45.258 45.258 45.072 0.187 17551 8766 1 13 . 1 1 55 55 GLY H H 55 8.926 8.926 8.583 0.343 17551 8767 1 13 . 1 1 56 56 GLY N N 56 108.877 108.877 107.929 0.948 17551 8768 1 13 . 1 1 56 56 GLY C C 56 174.054 174.054 172.672 1.382 17551 8769 1 13 . 1 1 56 56 GLY CA C 56 44.534 44.534 44.778 -0.244 17551 8770 1 13 . 1 1 56 56 GLY H H 56 8.426 8.426 7.692 0.734 17551 8771 1 13 . 1 1 57 57 ARG N N 57 123.871 123.871 119.104 4.767 17551 8772 1 13 . 1 1 57 57 ARG HA H 57 4.483 4.483 4.556 -0.073 17551 8773 1 13 . 1 1 57 57 ARG C C 57 176.728 176.728 176.001 0.727 17551 8774 1 13 . 1 1 57 57 ARG CA C 57 56.217 56.217 55.963 0.254 17551 8775 1 13 . 1 1 57 57 ARG CB C 57 31.388 31.388 30.797 0.591 17551 8776 1 13 . 1 1 57 57 ARG H H 57 8.474 8.474 8.492 -0.018 17551 8777 1 13 . 1 1 58 58 THR N N 58 122.156 122.156 116.126 6.030 17551 8778 1 13 . 1 1 58 58 THR HA H 58 5.299 5.299 4.750 0.549 17551 8779 1 13 . 1 1 58 58 THR C C 58 174.092 174.092 174.607 -0.515 17551 8780 1 13 . 1 1 58 58 THR CA C 58 62.125 62.125 60.816 1.309 17551 8781 1 13 . 1 1 58 58 THR CB C 58 70.339 70.339 70.421 -0.082 17551 8782 1 13 . 1 1 58 58 THR H H 58 8.818 8.818 8.351 0.467 17551 8783 1 13 . 1 1 59 59 THR N N 59 127.287 127.287 120.770 6.517 17551 8784 1 13 . 1 1 59 59 THR HA H 59 4.505 4.505 4.658 -0.153 17551 8785 1 13 . 1 1 59 59 THR C C 59 172.626 172.626 172.913 -0.287 17551 8786 1 13 . 1 1 59 59 THR CA C 59 62.163 62.163 61.791 0.372 17551 8787 1 13 . 1 1 59 59 THR CB C 59 70.565 70.565 71.121 -0.556 17551 8788 1 13 . 1 1 59 59 THR H H 59 9.281 9.281 8.765 0.516 17551 8789 1 13 . 1 1 60 60 THR N N 60 123.658 123.658 123.568 0.090 17551 8790 1 13 . 1 1 60 60 THR HA H 60 5.105 5.105 5.235 -0.130 17551 8791 1 13 . 1 1 60 60 THR C C 60 172.453 172.453 173.583 -1.130 17551 8792 1 13 . 1 1 60 60 THR CA C 60 61.277 61.277 61.065 0.212 17551 8793 1 13 . 1 1 60 60 THR CB C 60 70.432 70.432 70.450 -0.018 17551 8794 1 13 . 1 1 60 60 THR H H 60 8.952 8.952 8.551 0.401 17551 8795 1 13 . 1 1 61 61 ASN N N 61 124.292 124.292 126.438 -2.146 17551 8796 1 13 . 1 1 61 61 ASN HA H 61 5.384 5.384 5.211 0.173 17551 8797 1 13 . 1 1 61 61 ASN C C 61 173.609 173.609 173.989 -0.380 17551 8798 1 13 . 1 1 61 61 ASN CA C 61 52.190 52.190 52.475 -0.285 17551 8799 1 13 . 1 1 61 61 ASN CB C 61 43.987 43.987 42.468 1.520 17551 8800 1 13 . 1 1 61 61 ASN H H 61 8.848 8.848 9.231 -0.383 17551 8801 1 13 . 1 1 62 62 SER N N 62 118.046 118.046 117.691 0.355 17551 8802 1 13 . 1 1 62 62 SER HA H 62 5.659 5.659 5.045 0.614 17551 8803 1 13 . 1 1 62 62 SER C C 62 172.545 172.545 173.228 -0.683 17551 8804 1 13 . 1 1 62 62 SER CA C 62 56.974 56.974 57.572 -0.598 17551 8805 1 13 . 1 1 62 62 SER CB C 62 64.719 64.719 64.362 0.357 17551 8806 1 13 . 1 1 62 62 SER H H 62 8.986 8.986 8.825 0.161 17551 8807 1 13 . 1 1 63 63 PHE N N 63 118.769 118.769 122.147 -3.378 17551 8808 1 13 . 1 1 63 63 PHE HA H 63 5.016 5.016 5.050 -0.034 17551 8809 1 13 . 1 1 63 63 PHE C C 63 172.500 172.500 173.707 -1.207 17551 8810 1 13 . 1 1 63 63 PHE CA C 63 55.793 55.793 56.500 -0.707 17551 8811 1 13 . 1 1 63 63 PHE CB C 63 39.459 39.459 41.552 -2.093 17551 8812 1 13 . 1 1 63 63 PHE H H 63 8.514 8.514 8.531 -0.017 17551 8813 1 13 . 1 1 64 64 THR N N 64 120.318 120.318 120.171 0.147 17551 8814 1 13 . 1 1 64 64 THR HA H 64 5.617 5.617 4.810 0.807 17551 8815 1 13 . 1 1 64 64 THR C C 64 175.240 175.240 174.593 0.647 17551 8816 1 13 . 1 1 64 64 THR CA C 64 60.409 60.409 61.146 -0.737 17551 8817 1 13 . 1 1 64 64 THR CB C 64 71.213 71.213 70.313 0.900 17551 8818 1 13 . 1 1 64 64 THR H H 64 9.743 9.743 8.533 1.210 17551 8819 1 13 . 1 1 65 65 ILE N N 65 127.640 127.640 127.378 0.262 17551 8820 1 13 . 1 1 65 65 ILE HA H 65 4.089 4.089 3.871 0.218 17551 8821 1 13 . 1 1 65 65 ILE C C 65 176.477 176.477 177.488 -1.011 17551 8822 1 13 . 1 1 65 65 ILE CA C 65 59.299 59.299 61.868 -2.569 17551 8823 1 13 . 1 1 65 65 ILE CB C 65 35.445 35.445 36.226 -0.781 17551 8824 1 13 . 1 1 65 65 ILE H H 65 8.961 8.961 8.814 0.147 17551 8825 1 13 . 1 1 66 66 ASP N N 66 117.361 117.361 124.357 -6.996 17551 8826 1 13 . 1 1 66 66 ASP HA H 66 4.080 4.080 4.206 -0.126 17551 8827 1 13 . 1 1 66 66 ASP C C 66 174.730 174.730 174.424 0.306 17551 8828 1 13 . 1 1 66 66 ASP CA C 66 57.150 57.150 56.010 1.140 17551 8829 1 13 . 1 1 66 66 ASP CB C 66 38.442 38.442 40.716 -2.274 17551 8830 1 13 . 1 1 66 66 ASP H H 66 9.264 9.264 9.341 -0.077 17551 8831 1 13 . 1 1 67 67 LYS N N 67 121.171 121.171 119.126 2.045 17551 8832 1 13 . 1 1 67 67 LYS HA H 67 4.805 4.805 4.586 0.219 17551 8833 1 13 . 1 1 67 67 LYS C C 67 175.115 175.115 174.757 0.358 17551 8834 1 13 . 1 1 67 67 LYS CA C 67 53.900 53.900 54.391 -0.491 17551 8835 1 13 . 1 1 67 67 LYS CB C 67 34.256 34.256 35.370 -1.114 17551 8836 1 13 . 1 1 67 67 LYS H H 67 8.185 8.185 7.847 0.338 17551 8837 1 13 . 1 1 68 68 GLU N N 68 130.373 130.373 126.677 3.696 17551 8838 1 13 . 1 1 68 68 GLU HA H 68 4.194 4.194 4.414 -0.220 17551 8839 1 13 . 1 1 68 68 GLU C C 68 175.449 175.449 175.490 -0.041 17551 8840 1 13 . 1 1 68 68 GLU CA C 68 58.343 58.343 56.678 1.665 17551 8841 1 13 . 1 1 68 68 GLU H H 68 8.879 8.879 8.762 0.117 17551 8842 1 13 . 1 1 69 69 ALA N N 69 130.113 130.113 130.300 -0.187 17551 8843 1 13 . 1 1 69 69 ALA HA H 69 4.924 4.924 4.638 0.286 17551 8844 1 13 . 1 1 69 69 ALA C C 69 175.797 175.797 175.447 0.350 17551 8845 1 13 . 1 1 69 69 ALA CA C 69 50.151 50.151 50.626 -0.475 17551 8846 1 13 . 1 1 69 69 ALA CB C 69 22.239 22.239 22.744 -0.505 17551 8847 1 13 . 1 1 69 69 ALA H H 69 8.864 8.864 9.055 -0.191 17551 8848 1 13 . 1 1 70 70 ASP N N 70 120.889 120.889 121.644 -0.755 17551 8849 1 13 . 1 1 70 70 ASP HA H 70 4.852 4.852 5.050 -0.198 17551 8850 1 13 . 1 1 70 70 ASP C C 70 175.541 175.541 175.357 0.184 17551 8851 1 13 . 1 1 70 70 ASP CA C 70 54.211 54.211 54.600 -0.389 17551 8852 1 13 . 1 1 70 70 ASP CB C 70 41.052 41.052 41.584 -0.532 17551 8853 1 13 . 1 1 70 70 ASP H H 70 8.319 8.319 8.690 -0.371 17551 8854 1 13 . 1 1 71 71 MET N N 71 125.005 125.005 122.173 2.832 17551 8855 1 13 . 1 1 71 71 MET HA H 71 4.743 4.743 5.097 -0.354 17551 8856 1 13 . 1 1 71 71 MET C C 71 174.047 174.047 174.024 0.023 17551 8857 1 13 . 1 1 71 71 MET CA C 71 54.265 54.265 53.863 0.402 17551 8858 1 13 . 1 1 71 71 MET CB C 71 39.844 39.844 37.688 2.156 17551 8859 1 13 . 1 1 71 71 MET H H 71 8.796 8.796 8.681 0.115 17551 8860 1 13 . 1 1 72 72 GLU N N 72 118.909 118.909 119.885 -0.976 17551 8861 1 13 . 1 1 72 72 GLU HA H 72 5.613 5.613 5.451 0.162 17551 8862 1 13 . 1 1 72 72 GLU C C 72 176.109 176.109 175.180 0.929 17551 8863 1 13 . 1 1 72 72 GLU CA C 72 53.790 53.790 54.740 -0.950 17551 8864 1 13 . 1 1 72 72 GLU CB C 72 33.986 33.986 33.743 0.243 17551 8865 1 13 . 1 1 72 72 GLU H H 72 9.225 9.225 9.229 -0.004 17551 8866 1 13 . 1 1 73 73 THR N N 73 109.667 109.667 116.029 -6.362 17551 8867 1 13 . 1 1 73 73 THR HA H 73 4.538 4.538 4.717 -0.179 17551 8868 1 13 . 1 1 73 73 THR C C 73 176.660 176.660 176.035 0.625 17551 8869 1 13 . 1 1 73 73 THR CA C 73 59.666 59.666 59.996 -0.330 17551 8870 1 13 . 1 1 73 73 THR CB C 73 69.710 69.710 70.103 -0.393 17551 8871 1 13 . 1 1 73 73 THR H H 73 8.904 8.904 8.712 0.192 17551 8872 1 13 . 1 1 74 74 MET N N 74 117.519 117.519 118.806 -1.287 17551 8873 1 13 . 1 1 74 74 MET HA H 74 4.776 4.776 4.341 0.435 17551 8874 1 13 . 1 1 74 74 MET C C 74 176.641 176.641 177.041 -0.400 17551 8875 1 13 . 1 1 74 74 MET CA C 74 58.631 58.631 57.546 1.085 17551 8876 1 13 . 1 1 74 74 MET H H 74 8.206 8.206 8.499 -0.293 17551 8877 1 13 . 1 1 75 75 GLY N N 75 103.810 103.810 104.247 -0.437 17551 8878 1 13 . 1 1 75 75 GLY C C 75 173.956 173.956 174.922 -0.966 17551 8879 1 13 . 1 1 75 75 GLY CA C 75 43.728 43.728 44.804 -1.076 17551 8880 1 13 . 1 1 75 75 GLY H H 75 8.067 8.067 7.608 0.459 17551 8881 1 13 . 1 1 76 76 GLY N N 76 108.498 108.498 108.314 0.184 17551 8882 1 13 . 1 1 76 76 GLY C C 76 173.267 173.267 174.195 -0.928 17551 8883 1 13 . 1 1 76 76 GLY CA C 76 44.563 44.563 44.572 -0.009 17551 8884 1 13 . 1 1 76 76 GLY H H 76 7.702 7.702 7.565 0.137 17551 8885 1 13 . 1 1 77 77 ARG N N 77 121.161 121.161 121.094 0.067 17551 8886 1 13 . 1 1 77 77 ARG HA H 77 4.348 4.348 4.462 -0.114 17551 8887 1 13 . 1 1 77 77 ARG C C 77 176.083 176.083 175.412 0.671 17551 8888 1 13 . 1 1 77 77 ARG CA C 77 55.350 55.350 55.243 0.107 17551 8889 1 13 . 1 1 77 77 ARG CB C 77 30.904 30.904 31.213 -0.309 17551 8890 1 13 . 1 1 77 77 ARG H H 77 7.328 7.328 7.833 -0.505 17551 8891 1 13 . 1 1 78 78 LYS N N 78 126.790 126.790 125.604 1.186 17551 8892 1 13 . 1 1 78 78 LYS HA H 78 5.147 5.147 4.957 0.190 17551 8893 1 13 . 1 1 78 78 LYS C C 78 176.961 176.961 176.167 0.794 17551 8894 1 13 . 1 1 78 78 LYS CA C 78 55.487 55.487 55.978 -0.491 17551 8895 1 13 . 1 1 78 78 LYS CB C 78 32.769 32.769 33.326 -0.557 17551 8896 1 13 . 1 1 78 78 LYS H H 78 8.771 8.771 8.674 0.097 17551 8897 1 13 . 1 1 79 79 PHE N N 79 119.480 119.480 121.989 -2.509 17551 8898 1 13 . 1 1 79 79 PHE HA H 79 4.898 4.898 5.023 -0.125 17551 8899 1 13 . 1 1 79 79 PHE C C 79 171.587 171.587 173.310 -1.723 17551 8900 1 13 . 1 1 79 79 PHE CA C 79 55.817 55.817 56.543 -0.726 17551 8901 1 13 . 1 1 79 79 PHE CB C 79 40.702 40.702 41.857 -1.155 17551 8902 1 13 . 1 1 79 79 PHE H H 79 8.794 8.794 8.538 0.256 17551 8903 1 13 . 1 1 80 80 LYS N N 80 119.760 119.760 119.301 0.459 17551 8904 1 13 . 1 1 80 80 LYS HA H 80 5.460 5.460 5.374 0.086 17551 8905 1 13 . 1 1 80 80 LYS C C 80 176.538 176.538 175.436 1.102 17551 8906 1 13 . 1 1 80 80 LYS CA C 80 53.988 53.988 55.243 -1.255 17551 8907 1 13 . 1 1 80 80 LYS CB C 80 35.754 35.754 36.215 -0.460 17551 8908 1 13 . 1 1 80 80 LYS H H 80 8.414 8.414 8.458 -0.044 17551 8909 1 13 . 1 1 81 81 ALA N N 81 121.171 121.171 125.469 -4.298 17551 8910 1 13 . 1 1 81 81 ALA HA H 81 4.738 4.738 4.639 0.099 17551 8911 1 13 . 1 1 81 81 ALA C C 81 175.290 175.290 174.892 0.398 17551 8912 1 13 . 1 1 81 81 ALA CA C 81 51.262 51.262 51.429 -0.168 17551 8913 1 13 . 1 1 81 81 ALA CB C 81 22.568 22.568 22.299 0.269 17551 8914 1 13 . 1 1 81 81 ALA H H 81 8.525 8.525 8.903 -0.378 17551 8915 1 13 . 1 1 82 82 THR N N 82 117.970 117.970 117.114 0.856 17551 8916 1 13 . 1 1 82 82 THR HA H 82 4.292 4.292 4.791 -0.499 17551 8917 1 13 . 1 1 82 82 THR C C 82 172.556 172.556 173.877 -1.321 17551 8918 1 13 . 1 1 82 82 THR CA C 82 61.640 61.640 61.716 -0.076 17551 8919 1 13 . 1 1 82 82 THR CB C 82 68.485 68.485 69.622 -1.137 17551 8920 1 13 . 1 1 82 82 THR H H 82 8.448 8.448 8.425 0.023 17551 8921 1 13 . 1 1 83 83 VAL N N 83 131.564 131.564 126.256 5.308 17551 8922 1 13 . 1 1 83 83 VAL HA H 83 3.784 3.784 4.566 -0.782 17551 8923 1 13 . 1 1 83 83 VAL C C 83 174.167 174.167 174.492 -0.325 17551 8924 1 13 . 1 1 83 83 VAL CA C 83 62.059 62.059 60.939 1.120 17551 8925 1 13 . 1 1 83 83 VAL CB C 83 31.076 31.076 33.547 -2.471 17551 8926 1 13 . 1 1 83 83 VAL H H 83 9.722 9.722 7.972 1.750 17551 8927 1 13 . 1 1 84 84 LYS N N 84 125.930 125.930 123.646 2.284 17551 8928 1 13 . 1 1 84 84 LYS HA H 84 4.851 4.851 4.800 0.051 17551 8929 1 13 . 1 1 84 84 LYS C C 84 175.025 175.025 174.482 0.543 17551 8930 1 13 . 1 1 84 84 LYS CA C 84 54.213 54.213 54.303 -0.090 17551 8931 1 13 . 1 1 84 84 LYS CB C 84 35.076 35.076 36.050 -0.974 17551 8932 1 13 . 1 1 84 84 LYS H H 84 8.541 8.541 8.951 -0.410 17551 8933 1 13 . 1 1 85 85 MET N N 85 119.366 119.366 120.333 -0.967 17551 8934 1 13 . 1 1 85 85 MET HA H 85 5.517 5.517 5.324 0.193 17551 8935 1 13 . 1 1 85 85 MET C C 85 175.698 175.698 175.200 0.498 17551 8936 1 13 . 1 1 85 85 MET CA C 85 54.256 54.256 54.561 -0.305 17551 8937 1 13 . 1 1 85 85 MET CB C 85 35.406 35.406 36.463 -1.057 17551 8938 1 13 . 1 1 85 85 MET H H 85 8.992 8.992 8.584 0.408 17551 8939 1 13 . 1 1 86 86 GLU N N 86 125.741 125.741 125.306 0.435 17551 8940 1 13 . 1 1 86 86 GLU HA H 86 4.654 4.654 4.542 0.112 17551 8941 1 13 . 1 1 86 86 GLU C C 86 177.223 177.223 176.496 0.727 17551 8942 1 13 . 1 1 86 86 GLU CA C 86 54.213 54.213 55.897 -1.684 17551 8943 1 13 . 1 1 86 86 GLU CB C 86 31.578 31.578 30.529 1.049 17551 8944 1 13 . 1 1 86 86 GLU H H 86 9.063 9.063 9.098 -0.035 17551 8945 1 13 . 1 1 87 87 GLY N N 87 117.720 117.720 113.466 4.254 17551 8946 1 13 . 1 1 87 87 GLY C C 87 175.275 175.275 174.953 0.322 17551 8947 1 13 . 1 1 87 87 GLY CA C 87 46.902 46.902 44.762 2.140 17551 8948 1 13 . 1 1 87 87 GLY H H 87 9.300 9.300 9.180 0.120 17551 8949 1 13 . 1 1 88 88 GLY N N 88 109.070 109.070 103.892 5.178 17551 8950 1 13 . 1 1 88 88 GLY C C 88 172.863 172.863 173.230 -0.367 17551 8951 1 13 . 1 1 88 88 GLY CA C 88 44.853 44.853 45.312 -0.459 17551 8952 1 13 . 1 1 88 88 GLY H H 88 8.739 8.739 8.499 0.240 17551 8953 1 13 . 1 1 89 89 LYS N N 89 120.150 120.150 118.720 1.430 17551 8954 1 13 . 1 1 89 89 LYS HA H 89 5.113 5.113 5.110 0.003 17551 8955 1 13 . 1 1 89 89 LYS C C 89 175.487 175.487 175.566 -0.079 17551 8956 1 13 . 1 1 89 89 LYS CA C 89 54.363 54.363 54.510 -0.146 17551 8957 1 13 . 1 1 89 89 LYS CB C 89 33.753 33.753 34.596 -0.843 17551 8958 1 13 . 1 1 89 89 LYS H H 89 7.853 7.853 7.536 0.317 17551 8959 1 13 . 1 1 90 90 ILE N N 90 124.537 124.537 126.223 -1.686 17551 8960 1 13 . 1 1 90 90 ILE HA H 90 4.489 4.489 4.354 0.135 17551 8961 1 13 . 1 1 90 90 ILE C C 90 175.679 175.679 174.781 0.898 17551 8962 1 13 . 1 1 90 90 ILE CA C 90 60.930 60.930 61.368 -0.438 17551 8963 1 13 . 1 1 90 90 ILE CB C 90 38.367 38.367 37.525 0.842 17551 8964 1 13 . 1 1 90 90 ILE H H 90 9.081 9.081 8.603 0.478 17551 8965 1 13 . 1 1 91 91 VAL N N 91 124.871 124.871 129.215 -4.344 17551 8966 1 13 . 1 1 91 91 VAL HA H 91 4.591 4.591 5.038 -0.447 17551 8967 1 13 . 1 1 91 91 VAL C C 91 173.890 173.890 173.224 0.666 17551 8968 1 13 . 1 1 91 91 VAL CA C 91 60.743 60.743 59.075 1.668 17551 8969 1 13 . 1 1 91 91 VAL CB C 91 35.279 35.279 35.782 -0.503 17551 8970 1 13 . 1 1 91 91 VAL H H 91 8.786 8.786 8.707 0.079 17551 8971 1 13 . 1 1 92 92 ALA N N 92 129.590 129.590 131.120 -1.530 17551 8972 1 13 . 1 1 92 92 ALA HA H 92 4.563 4.563 4.576 -0.013 17551 8973 1 13 . 1 1 92 92 ALA C C 92 173.855 173.855 175.229 -1.374 17551 8974 1 13 . 1 1 92 92 ALA CA C 92 49.864 49.864 49.769 0.095 17551 8975 1 13 . 1 1 92 92 ALA CB C 92 21.948 21.948 21.794 0.154 17551 8976 1 13 . 1 1 92 92 ALA H H 92 9.228 9.228 8.995 0.233 17551 8977 1 13 . 1 1 93 93 ASP N N 93 121.654 121.654 122.694 -1.040 17551 8978 1 13 . 1 1 93 93 ASP HA H 93 5.342 5.342 4.769 0.573 17551 8979 1 13 . 1 1 93 93 ASP C C 93 173.521 173.521 174.614 -1.093 17551 8980 1 13 . 1 1 93 93 ASP CA C 93 53.658 53.658 53.888 -0.230 17551 8981 1 13 . 1 1 93 93 ASP CB C 93 44.462 44.462 42.358 2.104 17551 8982 1 13 . 1 1 93 93 ASP H H 93 8.326 8.326 7.645 0.681 17551 8983 1 13 . 1 1 94 94 PHE N N 94 122.296 122.296 123.329 -1.033 17551 8984 1 13 . 1 1 94 94 PHE HA H 94 5.024 5.024 4.824 0.200 17551 8985 1 13 . 1 1 94 94 PHE CA C 94 53.952 53.952 55.584 -1.632 17551 8986 1 13 . 1 1 94 94 PHE CB C 94 38.958 38.958 42.410 -3.452 17551 8987 1 13 . 1 1 94 94 PHE H H 94 8.776 8.776 7.838 0.938 17551 8988 1 13 . 1 1 95 95 PRO HA H 95 4.396 4.396 4.650 -0.254 17551 8989 1 13 . 1 1 95 95 PRO C C 95 177.375 177.375 176.751 0.624 17551 8990 1 13 . 1 1 95 95 PRO CA C 95 64.386 64.386 63.551 0.835 17551 8991 1 13 . 1 1 95 95 PRO CB C 95 30.432 30.432 31.579 -1.147 17551 8992 1 13 . 1 1 96 96 ASN N N 96 120.924 120.924 118.240 2.684 17551 8993 1 13 . 1 1 96 96 ASN HA H 96 4.619 4.619 4.357 0.262 17551 8994 1 13 . 1 1 96 96 ASN C C 96 174.189 174.189 173.267 0.922 17551 8995 1 13 . 1 1 96 96 ASN CA C 96 53.442 53.442 54.598 -1.156 17551 8996 1 13 . 1 1 96 96 ASN CB C 96 38.069 38.069 37.495 0.574 17551 8997 1 13 . 1 1 96 96 ASN H H 96 9.183 9.183 9.042 0.141 17551 8998 1 13 . 1 1 97 97 TYR N N 97 120.943 120.943 118.602 2.341 17551 8999 1 13 . 1 1 97 97 TYR HA H 97 4.804 4.804 5.610 -0.806 17551 9000 1 13 . 1 1 97 97 TYR C C 97 172.713 172.713 173.512 -0.799 17551 9001 1 13 . 1 1 97 97 TYR CA C 97 59.314 59.314 57.077 2.237 17551 9002 1 13 . 1 1 97 97 TYR CB C 97 40.512 40.512 41.815 -1.303 17551 9003 1 13 . 1 1 97 97 TYR H H 97 8.066 8.066 7.454 0.612 17551 9004 1 13 . 1 1 98 98 HIS N N 98 128.370 128.370 127.720 0.650 17551 9005 1 13 . 1 1 98 98 HIS HA H 98 5.466 5.466 5.180 0.286 17551 9006 1 13 . 1 1 98 98 HIS C C 98 172.821 172.821 173.201 -0.380 17551 9007 1 13 . 1 1 98 98 HIS CA C 98 54.311 54.311 54.949 -0.638 17551 9008 1 13 . 1 1 98 98 HIS CB C 98 31.053 31.053 32.676 -1.623 17551 9009 1 13 . 1 1 98 98 HIS H H 98 8.786 8.786 8.738 0.048 17551 9010 1 13 . 1 1 99 99 HIS N N 99 130.146 130.146 130.318 -0.172 17551 9011 1 13 . 1 1 99 99 HIS HA H 99 5.689 5.689 5.520 0.169 17551 9012 1 13 . 1 1 99 99 HIS C C 99 173.405 173.405 173.947 -0.542 17551 9013 1 13 . 1 1 99 99 HIS CA C 99 55.101 55.101 53.648 1.453 17551 9014 1 13 . 1 1 99 99 HIS CB C 99 34.888 34.888 31.879 3.009 17551 9015 1 13 . 1 1 99 99 HIS H H 99 8.963 8.963 8.272 0.691 17551 9016 1 13 . 1 1 100 100 THR N N 100 117.843 117.843 120.722 -2.879 17551 9017 1 13 . 1 1 100 100 THR HA H 100 5.597 5.597 5.520 0.077 17551 9018 1 13 . 1 1 100 100 THR C C 100 172.563 172.563 172.776 -0.213 17551 9019 1 13 . 1 1 100 100 THR CA C 100 57.863 57.863 59.978 -2.115 17551 9020 1 13 . 1 1 100 100 THR CB C 100 71.830 71.830 71.193 0.637 17551 9021 1 13 . 1 1 100 100 THR H H 100 8.871 8.871 8.741 0.130 17551 9022 1 13 . 1 1 101 101 ALA N N 101 121.591 121.591 127.250 -5.659 17551 9023 1 13 . 1 1 101 101 ALA HA H 101 5.318 5.318 5.344 -0.026 17551 9024 1 13 . 1 1 101 101 ALA C C 101 175.540 175.540 175.563 -0.023 17551 9025 1 13 . 1 1 101 101 ALA CA C 101 50.320 50.320 50.089 0.231 17551 9026 1 13 . 1 1 101 101 ALA CB C 101 22.819 22.819 21.821 0.998 17551 9027 1 13 . 1 1 101 101 ALA H H 101 8.825 8.825 9.035 -0.210 17551 9028 1 13 . 1 1 102 102 GLU N N 102 118.491 118.491 120.457 -1.966 17551 9029 1 13 . 1 1 102 102 GLU HA H 102 5.194 5.194 5.074 0.120 17551 9030 1 13 . 1 1 102 102 GLU C C 102 172.497 172.497 174.248 -1.751 17551 9031 1 13 . 1 1 102 102 GLU CA C 102 53.879 53.879 54.929 -1.050 17551 9032 1 13 . 1 1 102 102 GLU H H 102 8.785 8.785 8.460 0.325 17551 9033 1 13 . 1 1 103 103 ILE N N 103 121.813 121.813 120.841 0.972 17551 9034 1 13 . 1 1 103 103 ILE HA H 103 5.129 5.129 5.206 -0.077 17551 9035 1 13 . 1 1 103 103 ILE C C 103 177.119 177.119 175.708 1.411 17551 9036 1 13 . 1 1 103 103 ILE CA C 103 56.631 56.631 59.536 -2.905 17551 9037 1 13 . 1 1 103 103 ILE CB C 103 34.564 34.564 37.317 -2.753 17551 9038 1 13 . 1 1 103 103 ILE H H 103 8.442 8.442 8.549 -0.107 17551 9039 1 13 . 1 1 104 104 SER N N 104 122.295 122.295 122.862 -0.567 17551 9040 1 13 . 1 1 104 104 SER HA H 104 4.783 4.783 4.682 0.101 17551 9041 1 13 . 1 1 104 104 SER CA C 104 55.521 55.521 57.514 -1.993 17551 9042 1 13 . 1 1 104 104 SER CB C 104 63.426 63.426 64.885 -1.458 17551 9043 1 13 . 1 1 104 104 SER H H 104 9.119 9.119 8.931 0.188 17551 9044 1 13 . 1 1 105 105 GLY C C 105 175.730 175.730 174.666 1.064 17551 9045 1 13 . 1 1 105 105 GLY CA C 105 46.925 46.925 45.465 1.460 17551 9046 1 13 . 1 1 106 106 GLY N N 106 105.123 105.123 105.797 -0.674 17551 9047 1 13 . 1 1 106 106 GLY C C 106 173.229 173.229 173.821 -0.592 17551 9048 1 13 . 1 1 106 106 GLY CA C 106 44.771 44.771 45.142 -0.371 17551 9049 1 13 . 1 1 106 106 GLY H H 106 8.476 8.476 8.624 -0.148 17551 9050 1 13 . 1 1 107 107 LYS N N 107 119.187 119.187 118.322 0.865 17551 9051 1 13 . 1 1 107 107 LYS HA H 107 4.856 4.856 4.796 0.060 17551 9052 1 13 . 1 1 107 107 LYS C C 107 174.072 174.072 174.382 -0.310 17551 9053 1 13 . 1 1 107 107 LYS CA C 107 54.240 54.240 54.794 -0.553 17551 9054 1 13 . 1 1 107 107 LYS CB C 107 34.508 34.508 36.191 -1.683 17551 9055 1 13 . 1 1 107 107 LYS H H 107 7.639 7.639 7.364 0.275 17551 9056 1 13 . 1 1 108 108 LEU N N 108 122.725 122.725 125.192 -2.467 17551 9057 1 13 . 1 1 108 108 LEU HA H 108 4.793 4.793 5.219 -0.426 17551 9058 1 13 . 1 1 108 108 LEU C C 108 174.906 174.906 174.647 0.259 17551 9059 1 13 . 1 1 108 108 LEU CA C 108 54.275 54.275 53.910 0.365 17551 9060 1 13 . 1 1 108 108 LEU CB C 108 42.801 42.801 42.893 -0.092 17551 9061 1 13 . 1 1 108 108 LEU H H 108 8.481 8.481 8.966 -0.485 17551 9062 1 13 . 1 1 109 109 VAL N N 109 130.844 130.844 128.070 2.774 17551 9063 1 13 . 1 1 109 109 VAL HA H 109 4.953 4.953 5.298 -0.345 17551 9064 1 13 . 1 1 109 109 VAL C C 109 176.004 176.004 173.888 2.116 17551 9065 1 13 . 1 1 109 109 VAL CA C 109 61.541 61.541 59.655 1.886 17551 9066 1 13 . 1 1 109 109 VAL CB C 109 32.721 32.721 35.234 -2.513 17551 9067 1 13 . 1 1 109 109 VAL H H 109 9.391 9.391 9.011 0.380 17551 9068 1 13 . 1 1 110 110 GLU N N 110 130.618 130.618 129.697 0.921 17551 9069 1 13 . 1 1 110 110 GLU HA H 110 5.393 5.393 5.380 0.013 17551 9070 1 13 . 1 1 110 110 GLU C C 110 175.537 175.537 175.626 -0.089 17551 9071 1 13 . 1 1 110 110 GLU CA C 110 53.476 53.476 54.582 -1.106 17551 9072 1 13 . 1 1 110 110 GLU H H 110 9.386 9.386 8.532 0.854 17551 9073 1 13 . 1 1 111 111 ILE N N 111 126.952 126.952 127.339 -0.387 17551 9074 1 13 . 1 1 111 111 ILE HA H 111 4.910 4.910 4.608 0.302 17551 9075 1 13 . 1 1 111 111 ILE C C 111 175.156 175.156 174.967 0.189 17551 9076 1 13 . 1 1 111 111 ILE CA C 111 59.562 59.562 60.377 -0.815 17551 9077 1 13 . 1 1 111 111 ILE CB C 111 39.029 39.029 39.451 -0.422 17551 9078 1 13 . 1 1 111 111 ILE H H 111 8.912 8.912 9.047 -0.135 17551 9079 1 13 . 1 1 112 112 SER N N 112 125.389 125.389 124.501 0.888 17551 9080 1 13 . 1 1 112 112 SER HA H 112 5.524 5.524 5.597 -0.073 17551 9081 1 13 . 1 1 112 112 SER C C 112 172.120 172.120 174.129 -2.009 17551 9082 1 13 . 1 1 112 112 SER CA C 112 55.756 55.756 55.800 -0.044 17551 9083 1 13 . 1 1 112 112 SER CB C 112 64.025 64.025 63.507 0.518 17551 9084 1 13 . 1 1 112 112 SER H H 112 9.495 9.495 9.208 0.287 17551 9085 1 13 . 1 1 113 113 THR N N 113 119.329 119.329 123.256 -3.927 17551 9086 1 13 . 1 1 113 113 THR HA H 113 5.633 5.633 5.215 0.418 17551 9087 1 13 . 1 1 113 113 THR C C 113 174.911 174.911 173.835 1.076 17551 9088 1 13 . 1 1 113 113 THR CA C 113 60.362 60.362 61.507 -1.145 17551 9089 1 13 . 1 1 113 113 THR CB C 113 70.377 70.377 70.286 0.091 17551 9090 1 13 . 1 1 113 113 THR H H 113 9.274 9.274 8.998 0.276 17551 9091 1 13 . 1 1 114 114 SER N N 114 121.027 121.027 120.619 0.408 17551 9092 1 13 . 1 1 114 114 SER HA H 114 4.479 4.479 5.252 -0.773 17551 9093 1 13 . 1 1 114 114 SER C C 114 174.507 174.507 174.139 0.368 17551 9094 1 13 . 1 1 114 114 SER CA C 114 57.423 57.423 57.340 0.083 17551 9095 1 13 . 1 1 114 114 SER CB C 114 64.798 64.798 64.910 -0.112 17551 9096 1 13 . 1 1 114 114 SER H H 114 8.657 8.657 8.904 -0.247 17551 9097 1 13 . 1 1 115 115 SER N N 115 122.405 122.405 120.745 1.660 17551 9098 1 13 . 1 1 115 115 SER HA H 115 4.092 4.092 4.038 0.054 17551 9099 1 13 . 1 1 115 115 SER C C 115 174.387 174.387 174.581 -0.194 17551 9100 1 13 . 1 1 115 115 SER CA C 115 58.417 58.417 59.136 -0.719 17551 9101 1 13 . 1 1 115 115 SER CB C 115 61.860 61.860 62.423 -0.563 17551 9102 1 13 . 1 1 115 115 SER H H 115 9.265 9.265 9.158 0.107 17551 9103 1 13 . 1 1 116 116 GLY N N 116 103.741 103.741 104.736 -0.995 17551 9104 1 13 . 1 1 116 116 GLY C C 116 173.618 173.618 174.175 -0.557 17551 9105 1 13 . 1 1 116 116 GLY CA C 116 44.584 44.584 44.876 -0.292 17551 9106 1 13 . 1 1 116 116 GLY H H 116 8.730 8.730 7.988 0.742 17551 9107 1 13 . 1 1 117 117 VAL N N 117 123.819 123.819 124.709 -0.890 17551 9108 1 13 . 1 1 117 117 VAL HA H 117 4.242 4.242 4.041 0.201 17551 9109 1 13 . 1 1 117 117 VAL C C 117 173.712 173.712 175.354 -1.642 17551 9110 1 13 . 1 1 117 117 VAL CA C 117 61.946 61.946 62.952 -1.006 17551 9111 1 13 . 1 1 117 117 VAL CB C 117 32.244 32.244 32.141 0.103 17551 9112 1 13 . 1 1 117 117 VAL H H 117 8.177 8.177 7.729 0.448 17551 9113 1 13 . 1 1 118 118 VAL N N 118 127.074 127.074 128.005 -0.931 17551 9114 1 13 . 1 1 118 118 VAL HA H 118 4.519 4.519 4.246 0.273 17551 9115 1 13 . 1 1 118 118 VAL C C 118 174.793 174.793 174.862 -0.069 17551 9116 1 13 . 1 1 118 118 VAL CA C 118 61.227 61.227 61.542 -0.315 17551 9117 1 13 . 1 1 118 118 VAL CB C 118 32.503 32.503 31.925 0.578 17551 9118 1 13 . 1 1 118 118 VAL H H 118 8.441 8.441 8.507 -0.066 17551 9119 1 13 . 1 1 119 119 TYR N N 119 131.178 131.178 131.144 0.034 17551 9120 1 13 . 1 1 119 119 TYR HA H 119 5.095 5.095 4.884 0.211 17551 9121 1 13 . 1 1 119 119 TYR C C 119 173.029 173.029 173.461 -0.432 17551 9122 1 13 . 1 1 119 119 TYR CA C 119 54.862 54.862 56.020 -1.157 17551 9123 1 13 . 1 1 119 119 TYR CB C 119 40.213 40.213 40.467 -0.254 17551 9124 1 13 . 1 1 119 119 TYR H H 119 9.315 9.315 9.196 0.119 17551 9125 1 13 . 1 1 120 120 LYS N N 120 126.654 126.654 127.613 -0.959 17551 9126 1 13 . 1 1 120 120 LYS HA H 120 4.922 4.922 5.086 -0.164 17551 9127 1 13 . 1 1 120 120 LYS C C 120 173.813 173.813 174.546 -0.733 17551 9128 1 13 . 1 1 120 120 LYS CA C 120 53.685 53.685 54.120 -0.435 17551 9129 1 13 . 1 1 120 120 LYS CB C 120 36.014 36.014 36.309 -0.295 17551 9130 1 13 . 1 1 120 120 LYS H H 120 7.342 7.342 8.429 -1.087 17551 9131 1 13 . 1 1 121 121 ARG N N 121 124.124 124.124 121.577 2.547 17551 9132 1 13 . 1 1 121 121 ARG HA H 121 4.798 4.798 4.918 -0.120 17551 9133 1 13 . 1 1 121 121 ARG C C 121 174.874 174.874 174.600 0.274 17551 9134 1 13 . 1 1 121 121 ARG CB C 121 34.257 34.257 33.641 0.616 17551 9135 1 13 . 1 1 121 121 ARG H H 121 9.087 9.087 8.593 0.494 17551 9136 1 13 . 1 1 122 122 THR N N 122 122.859 122.859 121.317 1.542 17551 9137 1 13 . 1 1 122 122 THR HA H 122 5.224 5.224 5.291 -0.067 17551 9138 1 13 . 1 1 122 122 THR C C 122 174.321 174.321 173.836 0.485 17551 9139 1 13 . 1 1 122 122 THR CA C 122 62.177 62.177 61.644 0.533 17551 9140 1 13 . 1 1 122 122 THR CB C 122 69.459 69.459 70.663 -1.204 17551 9141 1 13 . 1 1 122 122 THR H H 122 9.358 9.358 9.094 0.264 17551 9142 1 13 . 1 1 123 123 SER N N 123 123.389 123.389 122.803 0.586 17551 9143 1 13 . 1 1 123 123 SER HA H 123 5.196 5.196 5.340 -0.144 17551 9144 1 13 . 1 1 123 123 SER C C 123 172.464 172.464 173.311 -0.847 17551 9145 1 13 . 1 1 123 123 SER CA C 123 57.571 57.571 57.392 0.179 17551 9146 1 13 . 1 1 123 123 SER CB C 123 65.697 65.697 66.540 -0.843 17551 9147 1 13 . 1 1 123 123 SER H H 123 9.749 9.749 9.500 0.249 17551 9148 1 13 . 1 1 124 124 LYS N N 124 125.058 125.058 122.717 2.341 17551 9149 1 13 . 1 1 124 124 LYS HA H 124 4.681 4.681 4.569 0.112 17551 9150 1 13 . 1 1 124 124 LYS C C 124 175.141 175.141 175.508 -0.367 17551 9151 1 13 . 1 1 124 124 LYS CA C 124 54.444 54.444 55.464 -1.020 17551 9152 1 13 . 1 1 124 124 LYS CB C 124 33.492 33.492 34.038 -0.546 17551 9153 1 13 . 1 1 124 124 LYS H H 124 8.808 8.808 8.162 0.646 17551 9154 1 13 . 1 1 125 125 LYS N N 125 126.114 126.114 123.954 2.160 17551 9155 1 13 . 1 1 125 125 LYS HA H 125 4.367 4.367 4.650 -0.283 17551 9156 1 13 . 1 1 125 125 LYS C C 125 176.828 176.828 175.495 1.333 17551 9157 1 13 . 1 1 125 125 LYS CA C 125 56.752 56.752 54.945 1.807 17551 9158 1 13 . 1 1 125 125 LYS CB C 125 32.912 32.912 32.303 0.608 17551 9159 1 13 . 1 1 125 125 LYS H H 125 9.215 9.215 8.629 0.586 17551 9160 1 13 . 1 1 126 126 ILE N N 126 125.207 125.207 125.533 -0.326 17551 9161 1 13 . 1 1 126 126 ILE HA H 126 4.302 4.302 4.566 -0.264 17551 9162 1 13 . 1 1 126 126 ILE C C 126 175.240 175.240 173.812 1.428 17551 9163 1 13 . 1 1 126 126 ILE CA C 126 60.067 60.067 59.785 0.282 17551 9164 1 13 . 1 1 126 126 ILE CB C 126 38.611 38.611 41.097 -2.486 17551 9165 1 13 . 1 1 126 126 ILE H H 126 8.777 8.777 8.437 0.340 17551 9166 1 14 . 1 1 2 2 PHE N N 2 114.421 114.421 118.999 -4.578 17551 9167 1 14 . 1 1 2 2 PHE HA H 2 4.205 4.205 4.848 -0.643 17551 9168 1 14 . 1 1 2 2 PHE C C 2 177.675 177.675 177.137 0.538 17551 9169 1 14 . 1 1 2 2 PHE CA C 2 59.748 59.748 58.114 1.633 17551 9170 1 14 . 1 1 2 2 PHE CB C 2 41.014 41.014 39.497 1.517 17551 9171 1 14 . 1 1 2 2 PHE H H 2 9.501 9.501 8.399 1.102 17551 9172 1 14 . 1 1 3 3 THR N N 3 118.304 118.304 116.022 2.282 17551 9173 1 14 . 1 1 3 3 THR HA H 3 4.021 4.021 4.350 -0.329 17551 9174 1 14 . 1 1 3 3 THR C C 3 173.811 173.811 174.980 -1.169 17551 9175 1 14 . 1 1 3 3 THR CA C 3 63.646 63.646 64.254 -0.608 17551 9176 1 14 . 1 1 3 3 THR CB C 3 69.230 69.230 68.881 0.349 17551 9177 1 14 . 1 1 3 3 THR H H 3 7.721 7.721 8.220 -0.499 17551 9178 1 14 . 1 1 4 4 GLY N N 4 113.320 113.320 111.665 1.655 17551 9179 1 14 . 1 1 4 4 GLY C C 4 169.382 169.382 172.038 -2.656 17551 9180 1 14 . 1 1 4 4 GLY CA C 4 44.343 44.343 44.597 -0.254 17551 9181 1 14 . 1 1 4 4 GLY H H 4 8.881 8.881 8.657 0.224 17551 9182 1 14 . 1 1 5 5 LYS N N 5 120.330 120.330 120.286 0.044 17551 9183 1 14 . 1 1 5 5 LYS HA H 5 5.255 5.255 5.151 0.104 17551 9184 1 14 . 1 1 5 5 LYS C C 5 174.306 174.306 174.787 -0.481 17551 9185 1 14 . 1 1 5 5 LYS CA C 5 54.232 54.232 54.557 -0.326 17551 9186 1 14 . 1 1 5 5 LYS CB C 5 35.137 35.137 35.008 0.129 17551 9187 1 14 . 1 1 5 5 LYS H H 5 7.914 7.914 7.830 0.084 17551 9188 1 14 . 1 1 6 6 TYR N N 6 122.260 122.260 122.249 0.011 17551 9189 1 14 . 1 1 6 6 TYR HA H 6 5.617 5.617 5.748 -0.131 17551 9190 1 14 . 1 1 6 6 TYR C C 6 174.519 174.519 175.314 -0.795 17551 9191 1 14 . 1 1 6 6 TYR CA C 6 55.158 55.158 56.193 -1.035 17551 9192 1 14 . 1 1 6 6 TYR CB C 6 41.637 41.637 42.363 -0.726 17551 9193 1 14 . 1 1 6 6 TYR H H 6 9.736 9.736 8.863 0.873 17551 9194 1 14 . 1 1 7 7 GLU N N 7 122.025 122.025 121.273 0.752 17551 9195 1 14 . 1 1 7 7 GLU HA H 7 5.096 5.096 5.108 -0.012 17551 9196 1 14 . 1 1 7 7 GLU C C 7 174.888 174.888 175.563 -0.675 17551 9197 1 14 . 1 1 7 7 GLU CA C 7 53.988 53.988 54.028 -0.040 17551 9198 1 14 . 1 1 7 7 GLU CB C 7 33.716 33.716 34.247 -0.531 17551 9199 1 14 . 1 1 7 7 GLU H H 7 9.461 9.461 8.499 0.962 17551 9200 1 14 . 1 1 8 8 PHE N N 8 126.529 126.529 124.554 1.975 17551 9201 1 14 . 1 1 8 8 PHE HA H 8 4.599 4.599 4.263 0.336 17551 9202 1 14 . 1 1 8 8 PHE C C 8 172.999 172.999 175.103 -2.104 17551 9203 1 14 . 1 1 8 8 PHE CA C 8 59.847 59.847 60.572 -0.725 17551 9204 1 14 . 1 1 8 8 PHE CB C 8 40.687 40.687 39.017 1.670 17551 9205 1 14 . 1 1 8 8 PHE H H 8 7.986 7.986 8.654 -0.668 17551 9206 1 14 . 1 1 9 9 GLU N N 9 129.046 129.046 126.261 2.785 17551 9207 1 14 . 1 1 9 9 GLU HA H 9 4.306 4.306 4.617 -0.311 17551 9208 1 14 . 1 1 9 9 GLU C C 9 174.528 174.528 176.238 -1.710 17551 9209 1 14 . 1 1 9 9 GLU CA C 9 56.545 56.545 57.111 -0.566 17551 9210 1 14 . 1 1 9 9 GLU CB C 9 32.798 32.798 32.258 0.540 17551 9211 1 14 . 1 1 9 9 GLU H H 9 9.151 9.151 8.581 0.570 17551 9212 1 14 . 1 1 10 10 SER N N 10 111.041 111.041 112.989 -1.948 17551 9213 1 14 . 1 1 10 10 SER HA H 10 4.258 4.258 4.913 -0.655 17551 9214 1 14 . 1 1 10 10 SER C C 10 171.216 171.216 172.037 -0.821 17551 9215 1 14 . 1 1 10 10 SER CA C 10 57.930 57.930 57.463 0.467 17551 9216 1 14 . 1 1 10 10 SER CB C 10 64.720 64.720 66.443 -1.723 17551 9217 1 14 . 1 1 10 10 SER H H 10 7.612 7.612 8.036 -0.424 17551 9218 1 14 . 1 1 11 11 ASP N N 11 118.058 118.058 118.891 -0.833 17551 9219 1 14 . 1 1 11 11 ASP HA H 11 5.500 5.500 5.373 0.127 17551 9220 1 14 . 1 1 11 11 ASP C C 11 174.845 174.845 174.939 -0.094 17551 9221 1 14 . 1 1 11 11 ASP CA C 11 51.633 51.633 53.198 -1.565 17551 9222 1 14 . 1 1 11 11 ASP H H 11 8.632 8.632 8.380 0.252 17551 9223 1 14 . 1 1 12 12 GLU N N 12 117.523 117.523 119.487 -1.964 17551 9224 1 14 . 1 1 12 12 GLU HA H 12 4.782 4.782 4.585 0.197 17551 9225 1 14 . 1 1 12 12 GLU C C 12 175.293 175.293 175.927 -0.634 17551 9226 1 14 . 1 1 12 12 GLU CB C 12 33.450 33.450 33.257 0.193 17551 9227 1 14 . 1 1 12 12 GLU H H 12 8.562 8.562 8.703 -0.141 17551 9228 1 14 . 1 1 13 13 ASN N N 13 118.877 118.877 121.090 -2.213 17551 9229 1 14 . 1 1 13 13 ASN HA H 13 4.742 4.742 4.537 0.205 17551 9230 1 14 . 1 1 13 13 ASN C C 13 175.303 175.303 175.051 0.252 17551 9231 1 14 . 1 1 13 13 ASN CA C 13 53.373 53.373 54.385 -1.012 17551 9232 1 14 . 1 1 13 13 ASN CB C 13 37.207 37.207 37.567 -0.360 17551 9233 1 14 . 1 1 13 13 ASN H H 13 9.110 9.110 9.166 -0.056 17551 9234 1 14 . 1 1 14 14 TYR N N 14 118.061 118.061 120.728 -2.667 17551 9235 1 14 . 1 1 14 14 TYR HA H 14 4.015 4.015 4.211 -0.196 17551 9236 1 14 . 1 1 14 14 TYR C C 14 176.581 176.581 176.326 0.255 17551 9237 1 14 . 1 1 14 14 TYR CA C 14 62.797 62.797 62.629 0.168 17551 9238 1 14 . 1 1 14 14 TYR CB C 14 38.998 38.998 38.866 0.132 17551 9239 1 14 . 1 1 14 14 TYR H H 14 8.731 8.731 8.381 0.350 17551 9240 1 14 . 1 1 15 15 ASP N N 15 115.317 115.317 118.169 -2.852 17551 9241 1 14 . 1 1 15 15 ASP HA H 15 4.112 4.112 4.307 -0.195 17551 9242 1 14 . 1 1 15 15 ASP C C 15 178.333 178.333 178.735 -0.402 17551 9243 1 14 . 1 1 15 15 ASP CA C 15 57.819 57.819 58.075 -0.256 17551 9244 1 14 . 1 1 15 15 ASP CB C 15 40.410 40.410 39.697 0.713 17551 9245 1 14 . 1 1 15 15 ASP H H 15 8.316 8.316 8.867 -0.551 17551 9246 1 14 . 1 1 16 16 ASP N N 16 117.774 117.774 119.703 -1.929 17551 9247 1 14 . 1 1 16 16 ASP HA H 16 4.392 4.392 4.423 -0.031 17551 9248 1 14 . 1 1 16 16 ASP C C 16 178.597 178.597 178.347 0.250 17551 9249 1 14 . 1 1 16 16 ASP CA C 16 56.348 56.348 56.932 -0.584 17551 9250 1 14 . 1 1 16 16 ASP CB C 16 39.883 39.883 40.826 -0.943 17551 9251 1 14 . 1 1 16 16 ASP H H 16 8.449 8.449 8.373 0.076 17551 9252 1 14 . 1 1 17 17 PHE N N 17 120.363 120.363 120.868 -0.505 17551 9253 1 14 . 1 1 17 17 PHE HA H 17 4.068 4.068 4.051 0.017 17551 9254 1 14 . 1 1 17 17 PHE C C 17 176.755 176.755 176.976 -0.221 17551 9255 1 14 . 1 1 17 17 PHE CA C 17 61.840 61.840 61.039 0.801 17551 9256 1 14 . 1 1 17 17 PHE CB C 17 39.794 39.794 38.823 0.971 17551 9257 1 14 . 1 1 17 17 PHE H H 17 7.931 7.931 7.606 0.325 17551 9258 1 14 . 1 1 18 18 VAL N N 18 110.180 110.180 117.031 -6.851 17551 9259 1 14 . 1 1 18 18 VAL HA H 18 3.595 3.595 3.291 0.304 17551 9260 1 14 . 1 1 18 18 VAL C C 18 178.434 178.434 177.669 0.765 17551 9261 1 14 . 1 1 18 18 VAL CA C 18 64.697 64.697 66.617 -1.920 17551 9262 1 14 . 1 1 18 18 VAL CB C 18 29.602 29.602 31.032 -1.430 17551 9263 1 14 . 1 1 18 18 VAL H H 18 8.294 8.294 8.392 -0.098 17551 9264 1 14 . 1 1 19 19 LYS N N 19 119.749 119.749 117.985 1.764 17551 9265 1 14 . 1 1 19 19 LYS HA H 19 4.108 4.108 4.076 0.032 17551 9266 1 14 . 1 1 19 19 LYS C C 19 179.796 179.796 178.875 0.921 17551 9267 1 14 . 1 1 19 19 LYS CA C 19 58.320 58.320 57.970 0.350 17551 9268 1 14 . 1 1 19 19 LYS CB C 19 31.918 31.918 31.867 0.051 17551 9269 1 14 . 1 1 19 19 LYS H H 19 7.382 7.382 8.132 -0.750 17551 9270 1 14 . 1 1 20 20 LYS N N 20 121.187 121.187 119.839 1.348 17551 9271 1 14 . 1 1 20 20 LYS HA H 20 4.071 4.071 4.149 -0.078 17551 9272 1 14 . 1 1 20 20 LYS C C 20 179.071 179.071 178.630 0.441 17551 9273 1 14 . 1 1 20 20 LYS CA C 20 57.347 57.347 58.130 -0.783 17551 9274 1 14 . 1 1 20 20 LYS CB C 20 30.633 30.633 32.486 -1.853 17551 9275 1 14 . 1 1 20 20 LYS H H 20 7.718 7.718 7.315 0.403 17551 9276 1 14 . 1 1 21 21 ILE N N 21 109.363 109.363 112.362 -2.999 17551 9277 1 14 . 1 1 21 21 ILE HA H 21 4.212 4.212 3.909 0.303 17551 9278 1 14 . 1 1 21 21 ILE C C 21 176.366 176.366 176.218 0.148 17551 9279 1 14 . 1 1 21 21 ILE CA C 21 61.610 61.610 62.187 -0.577 17551 9280 1 14 . 1 1 21 21 ILE CB C 21 36.968 36.968 38.120 -1.152 17551 9281 1 14 . 1 1 21 21 ILE H H 21 7.591 7.591 7.706 -0.115 17551 9282 1 14 . 1 1 22 22 GLY N N 22 107.961 107.961 108.050 -0.089 17551 9283 1 14 . 1 1 22 22 GLY C C 22 174.877 174.877 174.561 0.316 17551 9284 1 14 . 1 1 22 22 GLY CA C 22 45.510 45.510 44.497 1.013 17551 9285 1 14 . 1 1 22 22 GLY H H 22 7.260 7.260 7.383 -0.123 17551 9286 1 14 . 1 1 23 23 LEU N N 23 120.597 120.597 122.909 -2.312 17551 9287 1 14 . 1 1 23 23 LEU HA H 23 4.207 4.207 4.571 -0.364 17551 9288 1 14 . 1 1 23 23 LEU CA C 23 52.923 52.923 52.062 0.861 17551 9289 1 14 . 1 1 23 23 LEU CB C 23 42.241 42.241 42.471 -0.230 17551 9290 1 14 . 1 1 23 23 LEU H H 23 7.314 7.314 7.889 -0.575 17551 9291 1 14 . 1 1 24 24 PRO HA H 24 4.537 4.537 4.493 0.044 17551 9292 1 14 . 1 1 24 24 PRO C C 24 177.702 177.702 177.341 0.361 17551 9293 1 14 . 1 1 24 24 PRO CA C 24 61.891 61.891 62.276 -0.385 17551 9294 1 14 . 1 1 24 24 PRO CB C 24 32.260 32.260 32.863 -0.603 17551 9295 1 14 . 1 1 25 25 ALA N N 25 123.142 123.142 126.913 -3.771 17551 9296 1 14 . 1 1 25 25 ALA HA H 25 3.935 3.935 4.007 -0.072 17551 9297 1 14 . 1 1 25 25 ALA C C 25 179.461 179.461 179.430 0.031 17551 9298 1 14 . 1 1 25 25 ALA CA C 25 55.314 55.314 55.456 -0.142 17551 9299 1 14 . 1 1 25 25 ALA CB C 25 18.220 18.220 18.452 -0.232 17551 9300 1 14 . 1 1 25 25 ALA H H 25 8.738 8.738 8.726 0.012 17551 9301 1 14 . 1 1 26 26 ASP N N 26 115.440 115.440 118.074 -2.634 17551 9302 1 14 . 1 1 26 26 ASP HA H 26 4.379 4.379 4.370 0.009 17551 9303 1 14 . 1 1 26 26 ASP C C 26 179.291 179.291 178.843 0.448 17551 9304 1 14 . 1 1 26 26 ASP CA C 26 56.015 56.015 57.819 -1.804 17551 9305 1 14 . 1 1 26 26 ASP CB C 26 38.136 38.136 40.304 -2.168 17551 9306 1 14 . 1 1 26 26 ASP H H 26 8.971 8.971 8.815 0.156 17551 9307 1 14 . 1 1 27 27 LYS N N 27 122.292 122.292 118.191 4.101 17551 9308 1 14 . 1 1 27 27 LYS HA H 27 4.160 4.160 4.265 -0.105 17551 9309 1 14 . 1 1 27 27 LYS C C 27 177.758 177.758 178.395 -0.637 17551 9310 1 14 . 1 1 27 27 LYS CA C 27 58.022 58.022 56.930 1.092 17551 9311 1 14 . 1 1 27 27 LYS CB C 27 31.334 31.334 32.348 -1.014 17551 9312 1 14 . 1 1 27 27 LYS H H 27 7.434 7.434 7.538 -0.104 17551 9313 1 14 . 1 1 28 28 ILE N N 28 119.737 119.737 122.295 -2.558 17551 9314 1 14 . 1 1 28 28 ILE HA H 28 3.586 3.586 3.867 -0.281 17551 9315 1 14 . 1 1 28 28 ILE C C 28 180.386 180.386 178.269 2.117 17551 9316 1 14 . 1 1 28 28 ILE CA C 28 65.027 65.027 65.433 -0.406 17551 9317 1 14 . 1 1 28 28 ILE CB C 28 37.002 37.002 38.072 -1.070 17551 9318 1 14 . 1 1 28 28 ILE H H 28 8.016 8.016 8.585 -0.569 17551 9319 1 14 . 1 1 29 29 GLU N N 29 117.216 117.216 117.212 0.004 17551 9320 1 14 . 1 1 29 29 GLU HA H 29 4.294 4.294 4.155 0.139 17551 9321 1 14 . 1 1 29 29 GLU C C 29 179.024 179.024 179.037 -0.013 17551 9322 1 14 . 1 1 29 29 GLU CA C 29 58.139 58.139 58.747 -0.608 17551 9323 1 14 . 1 1 29 29 GLU CB C 29 28.028 28.028 29.402 -1.374 17551 9324 1 14 . 1 1 29 29 GLU H H 29 7.755 7.755 8.233 -0.478 17551 9325 1 14 . 1 1 30 30 MET N N 30 119.183 119.183 119.755 -0.572 17551 9326 1 14 . 1 1 30 30 MET HA H 30 4.194 4.194 4.365 -0.171 17551 9327 1 14 . 1 1 30 30 MET C C 30 177.683 177.683 177.039 0.644 17551 9328 1 14 . 1 1 30 30 MET CA C 30 58.150 58.150 56.376 1.774 17551 9329 1 14 . 1 1 30 30 MET CB C 30 33.162 33.162 32.886 0.276 17551 9330 1 14 . 1 1 30 30 MET H H 30 7.659 7.659 7.756 -0.097 17551 9331 1 14 . 1 1 31 31 GLY N N 31 102.603 102.603 103.443 -0.840 17551 9332 1 14 . 1 1 31 31 GLY C C 31 172.264 172.264 173.480 -1.216 17551 9333 1 14 . 1 1 31 31 GLY CA C 31 45.433 45.433 44.573 0.860 17551 9334 1 14 . 1 1 31 31 GLY H H 31 7.839 7.839 8.332 -0.493 17551 9335 1 14 . 1 1 32 32 ARG N N 32 121.453 121.453 122.245 -0.792 17551 9336 1 14 . 1 1 32 32 ARG HA H 32 3.072 3.072 4.085 -1.013 17551 9337 1 14 . 1 1 32 32 ARG C C 32 175.932 175.932 175.754 0.178 17551 9338 1 14 . 1 1 32 32 ARG CA C 32 56.894 56.894 55.837 1.057 17551 9339 1 14 . 1 1 32 32 ARG CB C 32 29.004 29.004 30.229 -1.225 17551 9340 1 14 . 1 1 32 32 ARG H H 32 6.954 6.954 7.468 -0.514 17551 9341 1 14 . 1 1 33 33 ASN N N 33 127.905 127.905 118.207 9.698 17551 9342 1 14 . 1 1 33 33 ASN HA H 33 4.066 4.066 3.873 0.193 17551 9343 1 14 . 1 1 33 33 ASN C C 33 173.939 173.939 173.856 0.083 17551 9344 1 14 . 1 1 33 33 ASN CA C 33 53.539 53.539 53.827 -0.288 17551 9345 1 14 . 1 1 33 33 ASN CB C 33 37.017 37.017 37.241 -0.224 17551 9346 1 14 . 1 1 33 33 ASN H H 33 8.990 8.990 8.359 0.631 17551 9347 1 14 . 1 1 34 34 CYS N N 34 116.649 116.649 118.065 -1.416 17551 9348 1 14 . 1 1 34 34 CYS HA H 34 4.018 4.018 4.302 -0.284 17551 9349 1 14 . 1 1 34 34 CYS C C 34 175.384 175.384 174.835 0.549 17551 9350 1 14 . 1 1 34 34 CYS CA C 34 57.216 57.216 58.778 -1.562 17551 9351 1 14 . 1 1 34 34 CYS CB C 34 27.200 27.200 29.340 -2.140 17551 9352 1 14 . 1 1 34 34 CYS H H 34 7.443 7.443 7.499 -0.056 17551 9353 1 14 . 1 1 35 35 LYS N N 35 130.727 130.727 123.903 6.824 17551 9354 1 14 . 1 1 35 35 LYS HA H 35 4.296 4.296 4.340 -0.044 17551 9355 1 14 . 1 1 35 35 LYS C C 35 175.272 175.272 175.371 -0.099 17551 9356 1 14 . 1 1 35 35 LYS CA C 35 55.577 55.577 56.082 -0.505 17551 9357 1 14 . 1 1 35 35 LYS CB C 35 29.487 29.487 31.281 -1.794 17551 9358 1 14 . 1 1 35 35 LYS H H 35 8.691 8.691 8.429 0.262 17551 9359 1 14 . 1 1 36 36 ILE N N 36 125.658 125.658 125.332 0.326 17551 9360 1 14 . 1 1 36 36 ILE HA H 36 4.010 4.010 4.619 -0.609 17551 9361 1 14 . 1 1 36 36 ILE C C 36 177.115 177.115 176.221 0.894 17551 9362 1 14 . 1 1 36 36 ILE CA C 36 62.608 62.608 58.740 3.868 17551 9363 1 14 . 1 1 36 36 ILE CB C 36 39.739 39.739 37.684 2.055 17551 9364 1 14 . 1 1 36 36 ILE H H 36 7.658 7.658 8.296 -0.638 17551 9365 1 14 . 1 1 37 37 VAL N N 37 130.730 130.730 128.674 2.056 17551 9366 1 14 . 1 1 37 37 VAL HA H 37 5.105 5.105 4.915 0.190 17551 9367 1 14 . 1 1 37 37 VAL C C 37 175.295 175.295 176.033 -0.738 17551 9368 1 14 . 1 1 37 37 VAL CA C 37 60.845 60.845 61.462 -0.617 17551 9369 1 14 . 1 1 37 37 VAL CB C 37 33.716 33.716 33.300 0.416 17551 9370 1 14 . 1 1 37 37 VAL H H 37 7.909 7.909 8.532 -0.623 17551 9371 1 14 . 1 1 38 38 THR N N 38 127.066 127.066 124.236 2.830 17551 9372 1 14 . 1 1 38 38 THR HA H 38 5.405 5.405 5.229 0.176 17551 9373 1 14 . 1 1 38 38 THR C C 38 174.035 174.035 173.683 0.352 17551 9374 1 14 . 1 1 38 38 THR CA C 38 61.303 61.303 61.540 -0.237 17551 9375 1 14 . 1 1 38 38 THR CB C 38 70.474 70.474 69.707 0.767 17551 9376 1 14 . 1 1 38 38 THR H H 38 9.393 9.393 9.380 0.013 17551 9377 1 14 . 1 1 39 39 GLU N N 39 126.804 126.804 128.771 -1.967 17551 9378 1 14 . 1 1 39 39 GLU HA H 39 5.216 5.216 4.668 0.548 17551 9379 1 14 . 1 1 39 39 GLU C C 39 174.379 174.379 175.068 -0.689 17551 9380 1 14 . 1 1 39 39 GLU CA C 39 54.232 54.232 55.837 -1.605 17551 9381 1 14 . 1 1 39 39 GLU CB C 39 32.531 32.531 30.806 1.725 17551 9382 1 14 . 1 1 39 39 GLU H H 39 9.728 9.728 8.993 0.735 17551 9383 1 14 . 1 1 40 40 VAL N N 40 125.405 125.405 126.914 -1.509 17551 9384 1 14 . 1 1 40 40 VAL HA H 40 4.859 4.859 5.254 -0.395 17551 9385 1 14 . 1 1 40 40 VAL C C 40 176.139 176.139 175.205 0.934 17551 9386 1 14 . 1 1 40 40 VAL CA C 40 60.091 60.091 60.355 -0.264 17551 9387 1 14 . 1 1 40 40 VAL CB C 40 33.952 33.952 33.252 0.700 17551 9388 1 14 . 1 1 40 40 VAL H H 40 9.326 9.326 8.984 0.342 17551 9389 1 14 . 1 1 41 41 VAL N N 41 127.197 127.197 128.287 -1.090 17551 9390 1 14 . 1 1 41 41 VAL HA H 41 4.144 4.144 4.408 -0.264 17551 9391 1 14 . 1 1 41 41 VAL C C 41 173.604 173.604 174.021 -0.417 17551 9392 1 14 . 1 1 41 41 VAL CA C 41 62.522 62.522 60.865 1.657 17551 9393 1 14 . 1 1 41 41 VAL CB C 41 33.757 33.757 34.068 -0.311 17551 9394 1 14 . 1 1 41 41 VAL H H 41 8.811 8.811 8.197 0.614 17551 9395 1 14 . 1 1 42 42 GLN N N 42 130.317 130.317 126.901 3.416 17551 9396 1 14 . 1 1 42 42 GLN HA H 42 4.430 4.430 4.386 0.044 17551 9397 1 14 . 1 1 42 42 GLN C C 42 174.239 174.239 174.916 -0.677 17551 9398 1 14 . 1 1 42 42 GLN CA C 42 52.960 52.960 54.462 -1.502 17551 9399 1 14 . 1 1 42 42 GLN CB C 42 29.877 29.877 30.628 -0.751 17551 9400 1 14 . 1 1 42 42 GLN H H 42 8.345 8.345 8.693 -0.348 17551 9401 1 14 . 1 1 43 43 ASN N N 43 125.513 125.513 124.295 1.218 17551 9402 1 14 . 1 1 43 43 ASN HA H 43 4.826 4.826 4.875 -0.049 17551 9403 1 14 . 1 1 43 43 ASN C C 43 175.350 175.350 175.453 -0.103 17551 9404 1 14 . 1 1 43 43 ASN CA C 43 51.303 51.303 52.344 -1.041 17551 9405 1 14 . 1 1 43 43 ASN CB C 43 39.051 39.051 39.283 -0.232 17551 9406 1 14 . 1 1 43 43 ASN H H 43 8.772 8.772 8.239 0.533 17551 9407 1 14 . 1 1 44 44 GLY N N 44 115.694 115.694 112.118 3.576 17551 9408 1 14 . 1 1 44 44 GLY C C 44 173.199 173.199 174.541 -1.342 17551 9409 1 14 . 1 1 44 44 GLY CA C 44 46.964 46.964 46.757 0.207 17551 9410 1 14 . 1 1 44 44 GLY H H 44 9.187 9.187 8.657 0.530 17551 9411 1 14 . 1 1 45 45 ASN N N 45 125.520 125.520 123.550 1.970 17551 9412 1 14 . 1 1 45 45 ASN HA H 45 4.991 4.991 4.944 0.047 17551 9413 1 14 . 1 1 45 45 ASN C C 45 173.822 173.822 172.813 1.009 17551 9414 1 14 . 1 1 45 45 ASN CA C 45 52.215 52.215 52.459 -0.243 17551 9415 1 14 . 1 1 45 45 ASN CB C 45 38.700 38.700 40.585 -1.885 17551 9416 1 14 . 1 1 45 45 ASN H H 45 8.854 8.854 8.281 0.573 17551 9417 1 14 . 1 1 46 46 ASP N N 46 120.842 120.842 120.552 0.290 17551 9418 1 14 . 1 1 46 46 ASP HA H 46 5.185 5.185 5.185 0.000 17551 9419 1 14 . 1 1 46 46 ASP C C 46 174.705 174.705 174.111 0.594 17551 9420 1 14 . 1 1 46 46 ASP CA C 46 53.658 53.658 52.986 0.673 17551 9421 1 14 . 1 1 46 46 ASP CB C 46 41.025 41.025 42.234 -1.209 17551 9422 1 14 . 1 1 46 46 ASP H H 46 7.921 7.921 7.514 0.407 17551 9423 1 14 . 1 1 47 47 PHE N N 47 121.470 121.470 124.992 -3.522 17551 9424 1 14 . 1 1 47 47 PHE HA H 47 5.161 5.161 5.394 -0.233 17551 9425 1 14 . 1 1 47 47 PHE C C 47 177.125 177.125 175.475 1.650 17551 9426 1 14 . 1 1 47 47 PHE CA C 47 56.591 56.591 55.614 0.977 17551 9427 1 14 . 1 1 47 47 PHE CB C 47 44.035 44.035 42.164 1.871 17551 9428 1 14 . 1 1 47 47 PHE H H 47 9.263 9.263 8.830 0.433 17551 9429 1 14 . 1 1 48 48 THR N N 48 116.950 116.950 116.006 0.944 17551 9430 1 14 . 1 1 48 48 THR HA H 48 4.861 4.861 4.886 -0.025 17551 9431 1 14 . 1 1 48 48 THR C C 48 172.499 172.499 173.863 -1.364 17551 9432 1 14 . 1 1 48 48 THR CA C 48 62.943 62.943 61.142 1.802 17551 9433 1 14 . 1 1 48 48 THR CB C 48 70.360 70.360 70.251 0.109 17551 9434 1 14 . 1 1 48 48 THR H H 48 8.831 8.831 8.652 0.179 17551 9435 1 14 . 1 1 49 49 TRP N N 49 132.266 132.266 126.690 5.576 17551 9436 1 14 . 1 1 49 49 TRP HA H 49 4.955 4.955 5.030 -0.075 17551 9437 1 14 . 1 1 49 49 TRP C C 49 175.842 175.842 174.779 1.063 17551 9438 1 14 . 1 1 49 49 TRP CA C 49 57.286 57.286 56.205 1.081 17551 9439 1 14 . 1 1 49 49 TRP CB C 49 31.894 31.894 32.869 -0.975 17551 9440 1 14 . 1 1 49 49 TRP H H 49 9.914 9.914 9.526 0.388 17551 9441 1 14 . 1 1 50 50 THR N N 50 131.707 131.707 123.478 8.229 17551 9442 1 14 . 1 1 50 50 THR HA H 50 5.928 5.928 4.654 1.274 17551 9443 1 14 . 1 1 50 50 THR C C 50 173.408 173.408 173.858 -0.450 17551 9444 1 14 . 1 1 50 50 THR CA C 50 60.993 60.993 61.400 -0.407 17551 9445 1 14 . 1 1 50 50 THR CB C 50 70.957 70.957 69.320 1.637 17551 9446 1 14 . 1 1 50 50 THR H H 50 9.524 9.524 8.543 0.981 17551 9447 1 14 . 1 1 51 51 GLN N N 51 124.680 124.680 127.058 -2.378 17551 9448 1 14 . 1 1 51 51 GLN HA H 51 5.056 5.056 5.329 -0.273 17551 9449 1 14 . 1 1 51 51 GLN C C 51 175.328 175.328 175.159 0.169 17551 9450 1 14 . 1 1 51 51 GLN CA C 51 56.309 56.309 53.855 2.454 17551 9451 1 14 . 1 1 51 51 GLN CB C 51 29.046 29.046 29.998 -0.952 17551 9452 1 14 . 1 1 51 51 GLN H H 51 9.456 9.456 9.057 0.399 17551 9453 1 14 . 1 1 52 52 HIS N N 52 122.268 122.268 124.337 -2.069 17551 9454 1 14 . 1 1 52 52 HIS HA H 52 5.051 5.051 4.931 0.120 17551 9455 1 14 . 1 1 52 52 HIS C C 52 174.819 174.819 174.066 0.753 17551 9456 1 14 . 1 1 52 52 HIS CA C 52 54.039 54.039 54.839 -0.800 17551 9457 1 14 . 1 1 52 52 HIS CB C 52 29.432 29.432 31.716 -2.284 17551 9458 1 14 . 1 1 52 52 HIS H H 52 9.534 9.534 9.010 0.524 17551 9459 1 14 . 1 1 53 53 PHE N N 53 129.837 129.837 125.983 3.854 17551 9460 1 14 . 1 1 53 53 PHE HA H 53 4.584 4.584 4.951 -0.367 17551 9461 1 14 . 1 1 53 53 PHE CA C 53 56.312 56.312 53.537 2.775 17551 9462 1 14 . 1 1 53 53 PHE CB C 53 40.660 40.660 41.104 -0.444 17551 9463 1 14 . 1 1 53 53 PHE H H 53 8.641 8.641 8.747 -0.106 17551 9464 1 14 . 1 1 54 54 PRO HA H 54 4.291 4.291 4.353 -0.062 17551 9465 1 14 . 1 1 54 54 PRO C C 54 177.389 177.389 176.676 0.713 17551 9466 1 14 . 1 1 54 54 PRO CA C 54 63.569 63.569 63.603 -0.034 17551 9467 1 14 . 1 1 54 54 PRO CB C 54 30.471 30.471 30.970 -0.499 17551 9468 1 14 . 1 1 55 55 GLY N N 55 113.867 113.867 113.203 0.664 17551 9469 1 14 . 1 1 55 55 GLY C C 55 175.164 175.164 174.032 1.132 17551 9470 1 14 . 1 1 55 55 GLY CA C 55 45.258 45.258 44.996 0.262 17551 9471 1 14 . 1 1 55 55 GLY H H 55 8.926 8.926 8.493 0.433 17551 9472 1 14 . 1 1 56 56 GLY N N 56 108.877 108.877 108.057 0.820 17551 9473 1 14 . 1 1 56 56 GLY C C 56 174.054 174.054 172.667 1.387 17551 9474 1 14 . 1 1 56 56 GLY CA C 56 44.534 44.534 44.690 -0.156 17551 9475 1 14 . 1 1 56 56 GLY H H 56 8.426 8.426 7.779 0.647 17551 9476 1 14 . 1 1 57 57 ARG N N 57 123.871 123.871 118.981 4.890 17551 9477 1 14 . 1 1 57 57 ARG HA H 57 4.483 4.483 4.530 -0.047 17551 9478 1 14 . 1 1 57 57 ARG C C 57 176.728 176.728 176.024 0.704 17551 9479 1 14 . 1 1 57 57 ARG CA C 57 56.217 56.217 56.106 0.111 17551 9480 1 14 . 1 1 57 57 ARG CB C 57 31.388 31.388 30.766 0.622 17551 9481 1 14 . 1 1 57 57 ARG H H 57 8.474 8.474 8.496 -0.022 17551 9482 1 14 . 1 1 58 58 THR N N 58 122.156 122.156 116.275 5.881 17551 9483 1 14 . 1 1 58 58 THR HA H 58 5.299 5.299 4.780 0.519 17551 9484 1 14 . 1 1 58 58 THR C C 58 174.092 174.092 174.663 -0.571 17551 9485 1 14 . 1 1 58 58 THR CA C 58 62.125 62.125 61.232 0.893 17551 9486 1 14 . 1 1 58 58 THR CB C 58 70.339 70.339 70.334 0.005 17551 9487 1 14 . 1 1 58 58 THR H H 58 8.818 8.818 8.386 0.432 17551 9488 1 14 . 1 1 59 59 THR N N 59 127.287 127.287 121.687 5.600 17551 9489 1 14 . 1 1 59 59 THR HA H 59 4.505 4.505 4.613 -0.108 17551 9490 1 14 . 1 1 59 59 THR C C 59 172.626 172.626 172.894 -0.268 17551 9491 1 14 . 1 1 59 59 THR CA C 59 62.163 62.163 62.186 -0.023 17551 9492 1 14 . 1 1 59 59 THR CB C 59 70.565 70.565 71.470 -0.905 17551 9493 1 14 . 1 1 59 59 THR H H 59 9.281 9.281 8.981 0.300 17551 9494 1 14 . 1 1 60 60 THR N N 60 123.658 123.658 123.024 0.634 17551 9495 1 14 . 1 1 60 60 THR HA H 60 5.105 5.105 5.063 0.042 17551 9496 1 14 . 1 1 60 60 THR C C 60 172.453 172.453 174.147 -1.694 17551 9497 1 14 . 1 1 60 60 THR CA C 60 61.277 61.277 60.968 0.309 17551 9498 1 14 . 1 1 60 60 THR CB C 60 70.432 70.432 70.662 -0.230 17551 9499 1 14 . 1 1 60 60 THR H H 60 8.952 8.952 8.532 0.420 17551 9500 1 14 . 1 1 61 61 ASN N N 61 124.292 124.292 123.912 0.380 17551 9501 1 14 . 1 1 61 61 ASN HA H 61 5.384 5.384 5.118 0.266 17551 9502 1 14 . 1 1 61 61 ASN C C 61 173.609 173.609 173.908 -0.299 17551 9503 1 14 . 1 1 61 61 ASN CA C 61 52.190 52.190 52.353 -0.163 17551 9504 1 14 . 1 1 61 61 ASN CB C 61 43.987 43.987 43.219 0.768 17551 9505 1 14 . 1 1 61 61 ASN H H 61 8.848 8.848 9.108 -0.260 17551 9506 1 14 . 1 1 62 62 SER N N 62 118.046 118.046 115.578 2.468 17551 9507 1 14 . 1 1 62 62 SER HA H 62 5.659 5.659 5.150 0.509 17551 9508 1 14 . 1 1 62 62 SER C C 62 172.545 172.545 172.997 -0.452 17551 9509 1 14 . 1 1 62 62 SER CA C 62 56.974 56.974 57.708 -0.734 17551 9510 1 14 . 1 1 62 62 SER CB C 62 64.719 64.719 64.773 -0.054 17551 9511 1 14 . 1 1 62 62 SER H H 62 8.986 8.986 8.724 0.262 17551 9512 1 14 . 1 1 63 63 PHE N N 63 118.769 118.769 121.512 -2.743 17551 9513 1 14 . 1 1 63 63 PHE HA H 63 5.016 5.016 5.066 -0.050 17551 9514 1 14 . 1 1 63 63 PHE C C 63 172.500 172.500 173.615 -1.115 17551 9515 1 14 . 1 1 63 63 PHE CA C 63 55.793 55.793 56.555 -0.762 17551 9516 1 14 . 1 1 63 63 PHE CB C 63 39.459 39.459 41.563 -2.104 17551 9517 1 14 . 1 1 63 63 PHE H H 63 8.514 8.514 8.646 -0.132 17551 9518 1 14 . 1 1 64 64 THR N N 64 120.318 120.318 120.044 0.274 17551 9519 1 14 . 1 1 64 64 THR HA H 64 5.617 5.617 4.922 0.695 17551 9520 1 14 . 1 1 64 64 THR C C 64 175.240 175.240 174.545 0.695 17551 9521 1 14 . 1 1 64 64 THR CA C 64 60.409 60.409 61.137 -0.728 17551 9522 1 14 . 1 1 64 64 THR CB C 64 71.213 71.213 70.475 0.738 17551 9523 1 14 . 1 1 64 64 THR H H 64 9.743 9.743 8.589 1.154 17551 9524 1 14 . 1 1 65 65 ILE N N 65 127.640 127.640 127.043 0.597 17551 9525 1 14 . 1 1 65 65 ILE HA H 65 4.089 4.089 3.887 0.202 17551 9526 1 14 . 1 1 65 65 ILE C C 65 176.477 176.477 177.504 -1.027 17551 9527 1 14 . 1 1 65 65 ILE CA C 65 59.299 59.299 61.694 -2.395 17551 9528 1 14 . 1 1 65 65 ILE CB C 65 35.445 35.445 36.302 -0.857 17551 9529 1 14 . 1 1 65 65 ILE H H 65 8.961 8.961 9.000 -0.039 17551 9530 1 14 . 1 1 66 66 ASP N N 66 117.361 117.361 124.910 -7.549 17551 9531 1 14 . 1 1 66 66 ASP HA H 66 4.080 4.080 4.198 -0.118 17551 9532 1 14 . 1 1 66 66 ASP C C 66 174.730 174.730 174.357 0.373 17551 9533 1 14 . 1 1 66 66 ASP CA C 66 57.150 57.150 55.876 1.274 17551 9534 1 14 . 1 1 66 66 ASP CB C 66 38.442 38.442 40.636 -2.194 17551 9535 1 14 . 1 1 66 66 ASP H H 66 9.264 9.264 9.279 -0.015 17551 9536 1 14 . 1 1 67 67 LYS N N 67 121.171 121.171 118.750 2.421 17551 9537 1 14 . 1 1 67 67 LYS HA H 67 4.805 4.805 4.604 0.201 17551 9538 1 14 . 1 1 67 67 LYS C C 67 175.115 175.115 174.562 0.553 17551 9539 1 14 . 1 1 67 67 LYS CA C 67 53.900 53.900 54.558 -0.658 17551 9540 1 14 . 1 1 67 67 LYS CB C 67 34.256 34.256 35.690 -1.434 17551 9541 1 14 . 1 1 67 67 LYS H H 67 8.185 8.185 7.763 0.422 17551 9542 1 14 . 1 1 68 68 GLU N N 68 130.373 130.373 126.261 4.112 17551 9543 1 14 . 1 1 68 68 GLU HA H 68 4.194 4.194 4.455 -0.261 17551 9544 1 14 . 1 1 68 68 GLU C C 68 175.449 175.449 175.609 -0.160 17551 9545 1 14 . 1 1 68 68 GLU CA C 68 58.343 58.343 56.559 1.784 17551 9546 1 14 . 1 1 68 68 GLU H H 68 8.879 8.879 8.774 0.105 17551 9547 1 14 . 1 1 69 69 ALA N N 69 130.113 130.113 130.039 0.074 17551 9548 1 14 . 1 1 69 69 ALA HA H 69 4.924 4.924 4.663 0.261 17551 9549 1 14 . 1 1 69 69 ALA C C 69 175.797 175.797 175.461 0.336 17551 9550 1 14 . 1 1 69 69 ALA CA C 69 50.151 50.151 50.605 -0.454 17551 9551 1 14 . 1 1 69 69 ALA CB C 69 22.239 22.239 22.870 -0.631 17551 9552 1 14 . 1 1 69 69 ALA H H 69 8.864 8.864 9.014 -0.150 17551 9553 1 14 . 1 1 70 70 ASP N N 70 120.889 120.889 121.709 -0.820 17551 9554 1 14 . 1 1 70 70 ASP HA H 70 4.852 4.852 5.129 -0.277 17551 9555 1 14 . 1 1 70 70 ASP C C 70 175.541 175.541 175.481 0.060 17551 9556 1 14 . 1 1 70 70 ASP CA C 70 54.211 54.211 54.500 -0.289 17551 9557 1 14 . 1 1 70 70 ASP CB C 70 41.052 41.052 41.569 -0.518 17551 9558 1 14 . 1 1 70 70 ASP H H 70 8.319 8.319 8.735 -0.416 17551 9559 1 14 . 1 1 71 71 MET N N 71 125.005 125.005 122.557 2.448 17551 9560 1 14 . 1 1 71 71 MET HA H 71 4.743 4.743 5.094 -0.351 17551 9561 1 14 . 1 1 71 71 MET C C 71 174.047 174.047 174.144 -0.097 17551 9562 1 14 . 1 1 71 71 MET CA C 71 54.265 54.265 53.899 0.366 17551 9563 1 14 . 1 1 71 71 MET CB C 71 39.844 39.844 37.632 2.212 17551 9564 1 14 . 1 1 71 71 MET H H 71 8.796 8.796 8.779 0.017 17551 9565 1 14 . 1 1 72 72 GLU N N 72 118.909 118.909 119.913 -1.004 17551 9566 1 14 . 1 1 72 72 GLU HA H 72 5.613 5.613 5.400 0.213 17551 9567 1 14 . 1 1 72 72 GLU C C 72 176.109 176.109 175.233 0.876 17551 9568 1 14 . 1 1 72 72 GLU CA C 72 53.790 53.790 54.894 -1.104 17551 9569 1 14 . 1 1 72 72 GLU CB C 72 33.986 33.986 33.631 0.355 17551 9570 1 14 . 1 1 72 72 GLU H H 72 9.225 9.225 8.888 0.337 17551 9571 1 14 . 1 1 73 73 THR N N 73 109.667 109.667 116.171 -6.504 17551 9572 1 14 . 1 1 73 73 THR HA H 73 4.538 4.538 4.717 -0.179 17551 9573 1 14 . 1 1 73 73 THR C C 73 176.660 176.660 175.923 0.737 17551 9574 1 14 . 1 1 73 73 THR CA C 73 59.666 59.666 60.075 -0.409 17551 9575 1 14 . 1 1 73 73 THR CB C 73 69.710 69.710 70.125 -0.415 17551 9576 1 14 . 1 1 73 73 THR H H 73 8.904 8.904 8.832 0.072 17551 9577 1 14 . 1 1 74 74 MET N N 74 117.519 117.519 118.894 -1.375 17551 9578 1 14 . 1 1 74 74 MET HA H 74 4.776 4.776 4.396 0.380 17551 9579 1 14 . 1 1 74 74 MET C C 74 176.641 176.641 176.599 0.042 17551 9580 1 14 . 1 1 74 74 MET CA C 74 58.631 58.631 57.209 1.422 17551 9581 1 14 . 1 1 74 74 MET H H 74 8.206 8.206 8.474 -0.268 17551 9582 1 14 . 1 1 75 75 GLY N N 75 103.810 103.810 104.055 -0.245 17551 9583 1 14 . 1 1 75 75 GLY C C 75 173.956 173.956 175.029 -1.073 17551 9584 1 14 . 1 1 75 75 GLY CA C 75 43.728 43.728 44.559 -0.831 17551 9585 1 14 . 1 1 75 75 GLY H H 75 8.067 8.067 7.644 0.423 17551 9586 1 14 . 1 1 76 76 GLY N N 76 108.498 108.498 109.012 -0.514 17551 9587 1 14 . 1 1 76 76 GLY C C 76 173.267 173.267 174.411 -1.144 17551 9588 1 14 . 1 1 76 76 GLY CA C 76 44.563 44.563 44.916 -0.353 17551 9589 1 14 . 1 1 76 76 GLY H H 76 7.702 7.702 7.554 0.148 17551 9590 1 14 . 1 1 77 77 ARG N N 77 121.161 121.161 120.613 0.548 17551 9591 1 14 . 1 1 77 77 ARG HA H 77 4.348 4.348 4.519 -0.171 17551 9592 1 14 . 1 1 77 77 ARG C C 77 176.083 176.083 175.235 0.848 17551 9593 1 14 . 1 1 77 77 ARG CA C 77 55.350 55.350 55.014 0.336 17551 9594 1 14 . 1 1 77 77 ARG CB C 77 30.904 30.904 31.603 -0.699 17551 9595 1 14 . 1 1 77 77 ARG H H 77 7.328 7.328 7.627 -0.299 17551 9596 1 14 . 1 1 78 78 LYS N N 78 126.790 126.790 125.220 1.570 17551 9597 1 14 . 1 1 78 78 LYS HA H 78 5.147 5.147 5.061 0.086 17551 9598 1 14 . 1 1 78 78 LYS C C 78 176.961 176.961 176.164 0.797 17551 9599 1 14 . 1 1 78 78 LYS CA C 78 55.487 55.487 55.900 -0.413 17551 9600 1 14 . 1 1 78 78 LYS CB C 78 32.769 32.769 33.589 -0.820 17551 9601 1 14 . 1 1 78 78 LYS H H 78 8.771 8.771 8.662 0.109 17551 9602 1 14 . 1 1 79 79 PHE N N 79 119.480 119.480 121.229 -1.749 17551 9603 1 14 . 1 1 79 79 PHE HA H 79 4.898 4.898 4.976 -0.078 17551 9604 1 14 . 1 1 79 79 PHE C C 79 171.587 171.587 172.578 -0.991 17551 9605 1 14 . 1 1 79 79 PHE CA C 79 55.817 55.817 56.607 -0.790 17551 9606 1 14 . 1 1 79 79 PHE CB C 79 40.702 40.702 41.547 -0.845 17551 9607 1 14 . 1 1 79 79 PHE H H 79 8.794 8.794 8.668 0.126 17551 9608 1 14 . 1 1 80 80 LYS N N 80 119.760 119.760 119.524 0.236 17551 9609 1 14 . 1 1 80 80 LYS HA H 80 5.460 5.460 5.465 -0.005 17551 9610 1 14 . 1 1 80 80 LYS C C 80 176.538 176.538 175.550 0.988 17551 9611 1 14 . 1 1 80 80 LYS CA C 80 53.988 53.988 55.191 -1.203 17551 9612 1 14 . 1 1 80 80 LYS CB C 80 35.754 35.754 35.882 -0.128 17551 9613 1 14 . 1 1 80 80 LYS H H 80 8.414 8.414 8.470 -0.056 17551 9614 1 14 . 1 1 81 81 ALA N N 81 121.171 121.171 125.810 -4.639 17551 9615 1 14 . 1 1 81 81 ALA HA H 81 4.738 4.738 4.625 0.113 17551 9616 1 14 . 1 1 81 81 ALA C C 81 175.290 175.290 174.948 0.342 17551 9617 1 14 . 1 1 81 81 ALA CA C 81 51.262 51.262 51.449 -0.187 17551 9618 1 14 . 1 1 81 81 ALA CB C 81 22.568 22.568 22.419 0.149 17551 9619 1 14 . 1 1 81 81 ALA H H 81 8.525 8.525 8.772 -0.247 17551 9620 1 14 . 1 1 82 82 THR N N 82 117.970 117.970 116.666 1.304 17551 9621 1 14 . 1 1 82 82 THR HA H 82 4.292 4.292 4.926 -0.634 17551 9622 1 14 . 1 1 82 82 THR C C 82 172.556 172.556 173.924 -1.368 17551 9623 1 14 . 1 1 82 82 THR CA C 82 61.640 61.640 61.311 0.329 17551 9624 1 14 . 1 1 82 82 THR CB C 82 68.485 68.485 69.825 -1.340 17551 9625 1 14 . 1 1 82 82 THR H H 82 8.448 8.448 8.428 0.020 17551 9626 1 14 . 1 1 83 83 VAL N N 83 131.564 131.564 125.679 5.885 17551 9627 1 14 . 1 1 83 83 VAL HA H 83 3.784 3.784 4.573 -0.789 17551 9628 1 14 . 1 1 83 83 VAL C C 83 174.167 174.167 174.408 -0.241 17551 9629 1 14 . 1 1 83 83 VAL CA C 83 62.059 62.059 60.876 1.183 17551 9630 1 14 . 1 1 83 83 VAL CB C 83 31.076 31.076 33.880 -2.804 17551 9631 1 14 . 1 1 83 83 VAL H H 83 9.722 9.722 8.028 1.694 17551 9632 1 14 . 1 1 84 84 LYS N N 84 125.930 125.930 124.187 1.743 17551 9633 1 14 . 1 1 84 84 LYS HA H 84 4.851 4.851 4.961 -0.110 17551 9634 1 14 . 1 1 84 84 LYS C C 84 175.025 175.025 174.218 0.807 17551 9635 1 14 . 1 1 84 84 LYS CA C 84 54.213 54.213 53.939 0.274 17551 9636 1 14 . 1 1 84 84 LYS CB C 84 35.076 35.076 36.213 -1.137 17551 9637 1 14 . 1 1 84 84 LYS H H 84 8.541 8.541 8.976 -0.435 17551 9638 1 14 . 1 1 85 85 MET N N 85 119.366 119.366 120.433 -1.067 17551 9639 1 14 . 1 1 85 85 MET HA H 85 5.517 5.517 5.130 0.387 17551 9640 1 14 . 1 1 85 85 MET C C 85 175.698 175.698 175.118 0.580 17551 9641 1 14 . 1 1 85 85 MET CA C 85 54.256 54.256 54.885 -0.629 17551 9642 1 14 . 1 1 85 85 MET CB C 85 35.406 35.406 35.689 -0.283 17551 9643 1 14 . 1 1 85 85 MET H H 85 8.992 8.992 8.545 0.447 17551 9644 1 14 . 1 1 86 86 GLU N N 86 125.741 125.741 125.118 0.623 17551 9645 1 14 . 1 1 86 86 GLU HA H 86 4.654 4.654 4.534 0.120 17551 9646 1 14 . 1 1 86 86 GLU C C 86 177.223 177.223 176.536 0.687 17551 9647 1 14 . 1 1 86 86 GLU CA C 86 54.213 54.213 55.992 -1.779 17551 9648 1 14 . 1 1 86 86 GLU CB C 86 31.578 31.578 30.609 0.969 17551 9649 1 14 . 1 1 86 86 GLU H H 86 9.063 9.063 8.929 0.134 17551 9650 1 14 . 1 1 87 87 GLY N N 87 117.720 117.720 113.161 4.559 17551 9651 1 14 . 1 1 87 87 GLY C C 87 175.275 175.275 175.280 -0.005 17551 9652 1 14 . 1 1 87 87 GLY CA C 87 46.902 46.902 44.996 1.906 17551 9653 1 14 . 1 1 87 87 GLY H H 87 9.300 9.300 8.896 0.404 17551 9654 1 14 . 1 1 88 88 GLY N N 88 109.070 109.070 105.662 3.408 17551 9655 1 14 . 1 1 88 88 GLY C C 88 172.863 172.863 173.710 -0.847 17551 9656 1 14 . 1 1 88 88 GLY CA C 88 44.853 44.853 45.048 -0.195 17551 9657 1 14 . 1 1 88 88 GLY H H 88 8.739 8.739 8.345 0.394 17551 9658 1 14 . 1 1 89 89 LYS N N 89 120.150 120.150 118.166 1.984 17551 9659 1 14 . 1 1 89 89 LYS HA H 89 5.113 5.113 5.081 0.032 17551 9660 1 14 . 1 1 89 89 LYS C C 89 175.487 175.487 175.412 0.075 17551 9661 1 14 . 1 1 89 89 LYS CA C 89 54.363 54.363 54.288 0.075 17551 9662 1 14 . 1 1 89 89 LYS CB C 89 33.753 33.753 34.861 -1.108 17551 9663 1 14 . 1 1 89 89 LYS H H 89 7.853 7.853 7.487 0.366 17551 9664 1 14 . 1 1 90 90 ILE N N 90 124.537 124.537 125.696 -1.159 17551 9665 1 14 . 1 1 90 90 ILE HA H 90 4.489 4.489 4.277 0.212 17551 9666 1 14 . 1 1 90 90 ILE C C 90 175.679 175.679 174.879 0.800 17551 9667 1 14 . 1 1 90 90 ILE CA C 90 60.930 60.930 61.324 -0.394 17551 9668 1 14 . 1 1 90 90 ILE CB C 90 38.367 38.367 37.225 1.142 17551 9669 1 14 . 1 1 90 90 ILE H H 90 9.081 9.081 8.229 0.852 17551 9670 1 14 . 1 1 91 91 VAL N N 91 124.871 124.871 129.351 -4.480 17551 9671 1 14 . 1 1 91 91 VAL HA H 91 4.591 4.591 5.106 -0.515 17551 9672 1 14 . 1 1 91 91 VAL C C 91 173.890 173.890 173.365 0.525 17551 9673 1 14 . 1 1 91 91 VAL CA C 91 60.743 60.743 59.014 1.729 17551 9674 1 14 . 1 1 91 91 VAL CB C 91 35.279 35.279 35.559 -0.280 17551 9675 1 14 . 1 1 91 91 VAL H H 91 8.786 8.786 8.474 0.312 17551 9676 1 14 . 1 1 92 92 ALA N N 92 129.590 129.590 131.182 -1.592 17551 9677 1 14 . 1 1 92 92 ALA HA H 92 4.563 4.563 4.549 0.014 17551 9678 1 14 . 1 1 92 92 ALA C C 92 173.855 173.855 175.317 -1.462 17551 9679 1 14 . 1 1 92 92 ALA CA C 92 49.864 49.864 49.907 -0.043 17551 9680 1 14 . 1 1 92 92 ALA CB C 92 21.948 21.948 21.783 0.165 17551 9681 1 14 . 1 1 92 92 ALA H H 92 9.228 9.228 8.929 0.299 17551 9682 1 14 . 1 1 93 93 ASP N N 93 121.654 121.654 122.176 -0.522 17551 9683 1 14 . 1 1 93 93 ASP HA H 93 5.342 5.342 4.873 0.469 17551 9684 1 14 . 1 1 93 93 ASP C C 93 173.521 173.521 174.626 -1.105 17551 9685 1 14 . 1 1 93 93 ASP CA C 93 53.658 53.658 53.579 0.079 17551 9686 1 14 . 1 1 93 93 ASP CB C 93 44.462 44.462 42.443 2.019 17551 9687 1 14 . 1 1 93 93 ASP H H 93 8.326 8.326 7.720 0.606 17551 9688 1 14 . 1 1 94 94 PHE N N 94 122.296 122.296 123.382 -1.086 17551 9689 1 14 . 1 1 94 94 PHE HA H 94 5.024 5.024 4.848 0.176 17551 9690 1 14 . 1 1 94 94 PHE CA C 94 53.952 53.952 55.794 -1.842 17551 9691 1 14 . 1 1 94 94 PHE CB C 94 38.958 38.958 42.348 -3.390 17551 9692 1 14 . 1 1 94 94 PHE H H 94 8.776 8.776 7.971 0.805 17551 9693 1 14 . 1 1 95 95 PRO HA H 95 4.396 4.396 4.592 -0.196 17551 9694 1 14 . 1 1 95 95 PRO C C 95 177.375 177.375 176.826 0.549 17551 9695 1 14 . 1 1 95 95 PRO CA C 95 64.386 64.386 63.589 0.797 17551 9696 1 14 . 1 1 95 95 PRO CB C 95 30.432 30.432 31.236 -0.804 17551 9697 1 14 . 1 1 96 96 ASN N N 96 120.924 120.924 119.799 1.125 17551 9698 1 14 . 1 1 96 96 ASN HA H 96 4.619 4.619 4.365 0.254 17551 9699 1 14 . 1 1 96 96 ASN C C 96 174.189 174.189 173.358 0.831 17551 9700 1 14 . 1 1 96 96 ASN CA C 96 53.442 53.442 54.449 -1.007 17551 9701 1 14 . 1 1 96 96 ASN CB C 96 38.069 38.069 37.273 0.796 17551 9702 1 14 . 1 1 96 96 ASN H H 96 9.183 9.183 9.075 0.108 17551 9703 1 14 . 1 1 97 97 TYR N N 97 120.943 120.943 119.044 1.899 17551 9704 1 14 . 1 1 97 97 TYR HA H 97 4.804 4.804 5.738 -0.934 17551 9705 1 14 . 1 1 97 97 TYR C C 97 172.713 172.713 173.835 -1.122 17551 9706 1 14 . 1 1 97 97 TYR CA C 97 59.314 59.314 56.657 2.657 17551 9707 1 14 . 1 1 97 97 TYR CB C 97 40.512 40.512 41.362 -0.850 17551 9708 1 14 . 1 1 97 97 TYR H H 97 8.066 8.066 7.377 0.689 17551 9709 1 14 . 1 1 98 98 HIS N N 98 128.370 128.370 127.697 0.673 17551 9710 1 14 . 1 1 98 98 HIS HA H 98 5.466 5.466 5.235 0.231 17551 9711 1 14 . 1 1 98 98 HIS C C 98 172.821 172.821 173.499 -0.678 17551 9712 1 14 . 1 1 98 98 HIS CA C 98 54.311 54.311 55.002 -0.690 17551 9713 1 14 . 1 1 98 98 HIS CB C 98 31.053 31.053 32.187 -1.134 17551 9714 1 14 . 1 1 98 98 HIS H H 98 8.786 8.786 8.628 0.158 17551 9715 1 14 . 1 1 99 99 HIS N N 99 130.146 130.146 128.942 1.204 17551 9716 1 14 . 1 1 99 99 HIS HA H 99 5.689 5.689 5.718 -0.029 17551 9717 1 14 . 1 1 99 99 HIS C C 99 173.405 173.405 174.116 -0.711 17551 9718 1 14 . 1 1 99 99 HIS CA C 99 55.101 55.101 53.366 1.735 17551 9719 1 14 . 1 1 99 99 HIS CB C 99 34.888 34.888 32.048 2.840 17551 9720 1 14 . 1 1 99 99 HIS H H 99 8.963 8.963 8.289 0.674 17551 9721 1 14 . 1 1 100 100 THR N N 100 117.843 117.843 120.238 -2.395 17551 9722 1 14 . 1 1 100 100 THR HA H 100 5.597 5.597 5.374 0.223 17551 9723 1 14 . 1 1 100 100 THR C C 100 172.563 172.563 172.710 -0.147 17551 9724 1 14 . 1 1 100 100 THR CA C 100 57.863 57.863 59.846 -1.983 17551 9725 1 14 . 1 1 100 100 THR CB C 100 71.830 71.830 71.021 0.809 17551 9726 1 14 . 1 1 100 100 THR H H 100 8.871 8.871 8.861 0.010 17551 9727 1 14 . 1 1 101 101 ALA N N 101 121.591 121.591 127.048 -5.457 17551 9728 1 14 . 1 1 101 101 ALA HA H 101 5.318 5.318 5.120 0.198 17551 9729 1 14 . 1 1 101 101 ALA C C 101 175.540 175.540 175.370 0.170 17551 9730 1 14 . 1 1 101 101 ALA CA C 101 50.320 50.320 49.984 0.335 17551 9731 1 14 . 1 1 101 101 ALA CB C 101 22.819 22.819 21.739 1.080 17551 9732 1 14 . 1 1 101 101 ALA H H 101 8.825 8.825 8.535 0.290 17551 9733 1 14 . 1 1 102 102 GLU N N 102 118.491 118.491 120.373 -1.882 17551 9734 1 14 . 1 1 102 102 GLU HA H 102 5.194 5.194 5.004 0.190 17551 9735 1 14 . 1 1 102 102 GLU C C 102 172.497 172.497 174.164 -1.667 17551 9736 1 14 . 1 1 102 102 GLU CA C 102 53.879 53.879 54.916 -1.037 17551 9737 1 14 . 1 1 102 102 GLU H H 102 8.785 8.785 8.206 0.579 17551 9738 1 14 . 1 1 103 103 ILE N N 103 121.813 121.813 121.092 0.721 17551 9739 1 14 . 1 1 103 103 ILE HA H 103 5.129 5.129 5.033 0.096 17551 9740 1 14 . 1 1 103 103 ILE C C 103 177.119 177.119 175.653 1.466 17551 9741 1 14 . 1 1 103 103 ILE CA C 103 56.631 56.631 59.721 -3.090 17551 9742 1 14 . 1 1 103 103 ILE CB C 103 34.564 34.564 37.297 -2.733 17551 9743 1 14 . 1 1 103 103 ILE H H 103 8.442 8.442 8.565 -0.123 17551 9744 1 14 . 1 1 104 104 SER N N 104 122.295 122.295 123.530 -1.235 17551 9745 1 14 . 1 1 104 104 SER HA H 104 4.783 4.783 4.687 0.096 17551 9746 1 14 . 1 1 104 104 SER CA C 104 55.521 55.521 56.975 -1.454 17551 9747 1 14 . 1 1 104 104 SER CB C 104 63.426 63.426 64.158 -0.732 17551 9748 1 14 . 1 1 104 104 SER H H 104 9.119 9.119 9.051 0.068 17551 9749 1 14 . 1 1 105 105 GLY C C 105 175.730 175.730 174.840 0.890 17551 9750 1 14 . 1 1 105 105 GLY CA C 105 46.925 46.925 45.092 1.833 17551 9751 1 14 . 1 1 106 106 GLY N N 106 105.123 105.123 104.913 0.210 17551 9752 1 14 . 1 1 106 106 GLY C C 106 173.229 173.229 173.257 -0.028 17551 9753 1 14 . 1 1 106 106 GLY CA C 106 44.771 44.771 45.076 -0.305 17551 9754 1 14 . 1 1 106 106 GLY H H 106 8.476 8.476 8.467 0.009 17551 9755 1 14 . 1 1 107 107 LYS N N 107 119.187 119.187 118.140 1.047 17551 9756 1 14 . 1 1 107 107 LYS HA H 107 4.856 4.856 4.727 0.129 17551 9757 1 14 . 1 1 107 107 LYS C C 107 174.072 174.072 174.381 -0.309 17551 9758 1 14 . 1 1 107 107 LYS CA C 107 54.240 54.240 54.897 -0.657 17551 9759 1 14 . 1 1 107 107 LYS CB C 107 34.508 34.508 36.170 -1.662 17551 9760 1 14 . 1 1 107 107 LYS H H 107 7.639 7.639 7.046 0.593 17551 9761 1 14 . 1 1 108 108 LEU N N 108 122.725 122.725 126.498 -3.773 17551 9762 1 14 . 1 1 108 108 LEU HA H 108 4.793 4.793 5.041 -0.248 17551 9763 1 14 . 1 1 108 108 LEU C C 108 174.906 174.906 174.643 0.263 17551 9764 1 14 . 1 1 108 108 LEU CA C 108 54.275 54.275 54.168 0.107 17551 9765 1 14 . 1 1 108 108 LEU CB C 108 42.801 42.801 42.423 0.378 17551 9766 1 14 . 1 1 108 108 LEU H H 108 8.481 8.481 8.973 -0.492 17551 9767 1 14 . 1 1 109 109 VAL N N 109 130.844 130.844 127.924 2.920 17551 9768 1 14 . 1 1 109 109 VAL HA H 109 4.953 4.953 5.251 -0.298 17551 9769 1 14 . 1 1 109 109 VAL C C 109 176.004 176.004 174.041 1.963 17551 9770 1 14 . 1 1 109 109 VAL CA C 109 61.541 61.541 59.285 2.256 17551 9771 1 14 . 1 1 109 109 VAL CB C 109 32.721 32.721 34.752 -2.031 17551 9772 1 14 . 1 1 109 109 VAL H H 109 9.391 9.391 8.915 0.476 17551 9773 1 14 . 1 1 110 110 GLU N N 110 130.618 130.618 128.475 2.143 17551 9774 1 14 . 1 1 110 110 GLU HA H 110 5.393 5.393 5.319 0.074 17551 9775 1 14 . 1 1 110 110 GLU C C 110 175.537 175.537 175.536 0.001 17551 9776 1 14 . 1 1 110 110 GLU CA C 110 53.476 53.476 53.894 -0.418 17551 9777 1 14 . 1 1 110 110 GLU H H 110 9.386 9.386 8.484 0.902 17551 9778 1 14 . 1 1 111 111 ILE N N 111 126.952 126.952 124.617 2.335 17551 9779 1 14 . 1 1 111 111 ILE HA H 111 4.910 4.910 4.893 0.017 17551 9780 1 14 . 1 1 111 111 ILE C C 111 175.156 175.156 175.156 0.000 17551 9781 1 14 . 1 1 111 111 ILE CA C 111 59.562 59.562 60.206 -0.644 17551 9782 1 14 . 1 1 111 111 ILE CB C 111 39.029 39.029 40.569 -1.540 17551 9783 1 14 . 1 1 111 111 ILE H H 111 8.912 8.912 9.113 -0.201 17551 9784 1 14 . 1 1 112 112 SER N N 112 125.389 125.389 125.098 0.291 17551 9785 1 14 . 1 1 112 112 SER HA H 112 5.524 5.524 5.631 -0.107 17551 9786 1 14 . 1 1 112 112 SER C C 112 172.120 172.120 173.659 -1.539 17551 9787 1 14 . 1 1 112 112 SER CA C 112 55.756 55.756 56.923 -1.167 17551 9788 1 14 . 1 1 112 112 SER CB C 112 64.025 64.025 64.764 -0.739 17551 9789 1 14 . 1 1 112 112 SER H H 112 9.495 9.495 9.353 0.142 17551 9790 1 14 . 1 1 113 113 THR N N 113 119.329 119.329 124.184 -4.855 17551 9791 1 14 . 1 1 113 113 THR HA H 113 5.633 5.633 5.295 0.338 17551 9792 1 14 . 1 1 113 113 THR C C 113 174.911 174.911 174.090 0.821 17551 9793 1 14 . 1 1 113 113 THR CA C 113 60.362 60.362 61.006 -0.644 17551 9794 1 14 . 1 1 113 113 THR CB C 113 70.377 70.377 69.710 0.667 17551 9795 1 14 . 1 1 113 113 THR H H 113 9.274 9.274 8.937 0.337 17551 9796 1 14 . 1 1 114 114 SER N N 114 121.027 121.027 122.144 -1.117 17551 9797 1 14 . 1 1 114 114 SER HA H 114 4.479 4.479 5.423 -0.944 17551 9798 1 14 . 1 1 114 114 SER C C 114 174.507 174.507 174.494 0.013 17551 9799 1 14 . 1 1 114 114 SER CA C 114 57.423 57.423 57.185 0.238 17551 9800 1 14 . 1 1 114 114 SER CB C 114 64.798 64.798 64.894 -0.096 17551 9801 1 14 . 1 1 114 114 SER H H 114 8.657 8.657 8.631 0.026 17551 9802 1 14 . 1 1 115 115 SER N N 115 122.405 122.405 121.730 0.675 17551 9803 1 14 . 1 1 115 115 SER HA H 115 4.092 4.092 4.173 -0.081 17551 9804 1 14 . 1 1 115 115 SER C C 115 174.387 174.387 174.313 0.074 17551 9805 1 14 . 1 1 115 115 SER CA C 115 58.417 58.417 59.737 -1.320 17551 9806 1 14 . 1 1 115 115 SER CB C 115 61.860 61.860 61.936 -0.076 17551 9807 1 14 . 1 1 115 115 SER H H 115 9.265 9.265 9.281 -0.016 17551 9808 1 14 . 1 1 116 116 GLY N N 116 103.741 103.741 103.406 0.335 17551 9809 1 14 . 1 1 116 116 GLY C C 116 173.618 173.618 174.345 -0.727 17551 9810 1 14 . 1 1 116 116 GLY CA C 116 44.584 44.584 44.787 -0.203 17551 9811 1 14 . 1 1 116 116 GLY H H 116 8.730 8.730 8.548 0.182 17551 9812 1 14 . 1 1 117 117 VAL N N 117 123.819 123.819 124.602 -0.783 17551 9813 1 14 . 1 1 117 117 VAL HA H 117 4.242 4.242 4.019 0.223 17551 9814 1 14 . 1 1 117 117 VAL C C 117 173.712 173.712 175.241 -1.529 17551 9815 1 14 . 1 1 117 117 VAL CA C 117 61.946 61.946 63.326 -1.380 17551 9816 1 14 . 1 1 117 117 VAL CB C 117 32.244 32.244 32.168 0.076 17551 9817 1 14 . 1 1 117 117 VAL H H 117 8.177 8.177 7.705 0.472 17551 9818 1 14 . 1 1 118 118 VAL N N 118 127.074 127.074 129.721 -2.647 17551 9819 1 14 . 1 1 118 118 VAL HA H 118 4.519 4.519 4.202 0.317 17551 9820 1 14 . 1 1 118 118 VAL C C 118 174.793 174.793 174.845 -0.052 17551 9821 1 14 . 1 1 118 118 VAL CA C 118 61.227 61.227 62.231 -1.004 17551 9822 1 14 . 1 1 118 118 VAL CB C 118 32.503 32.503 31.352 1.151 17551 9823 1 14 . 1 1 118 118 VAL H H 118 8.441 8.441 8.461 -0.020 17551 9824 1 14 . 1 1 119 119 TYR N N 119 131.178 131.178 131.191 -0.013 17551 9825 1 14 . 1 1 119 119 TYR HA H 119 5.095 5.095 4.902 0.193 17551 9826 1 14 . 1 1 119 119 TYR C C 119 173.029 173.029 173.854 -0.825 17551 9827 1 14 . 1 1 119 119 TYR CA C 119 54.862 54.862 55.996 -1.134 17551 9828 1 14 . 1 1 119 119 TYR CB C 119 40.213 40.213 40.044 0.169 17551 9829 1 14 . 1 1 119 119 TYR H H 119 9.315 9.315 9.160 0.155 17551 9830 1 14 . 1 1 120 120 LYS N N 120 126.654 126.654 128.155 -1.501 17551 9831 1 14 . 1 1 120 120 LYS HA H 120 4.922 4.922 5.321 -0.399 17551 9832 1 14 . 1 1 120 120 LYS C C 120 173.813 173.813 174.950 -1.137 17551 9833 1 14 . 1 1 120 120 LYS CA C 120 53.685 53.685 54.233 -0.548 17551 9834 1 14 . 1 1 120 120 LYS CB C 120 36.014 36.014 36.270 -0.256 17551 9835 1 14 . 1 1 120 120 LYS H H 120 7.342 7.342 8.419 -1.077 17551 9836 1 14 . 1 1 121 121 ARG N N 121 124.124 124.124 122.432 1.692 17551 9837 1 14 . 1 1 121 121 ARG HA H 121 4.798 4.798 4.758 0.040 17551 9838 1 14 . 1 1 121 121 ARG C C 121 174.874 174.874 174.783 0.091 17551 9839 1 14 . 1 1 121 121 ARG CB C 121 34.257 34.257 33.841 0.416 17551 9840 1 14 . 1 1 121 121 ARG H H 121 9.087 9.087 8.690 0.398 17551 9841 1 14 . 1 1 122 122 THR N N 122 122.859 122.859 121.747 1.112 17551 9842 1 14 . 1 1 122 122 THR HA H 122 5.224 5.224 4.925 0.299 17551 9843 1 14 . 1 1 122 122 THR C C 122 174.321 174.321 173.831 0.490 17551 9844 1 14 . 1 1 122 122 THR CA C 122 62.177 62.177 62.067 0.110 17551 9845 1 14 . 1 1 122 122 THR CB C 122 69.459 69.459 69.386 0.073 17551 9846 1 14 . 1 1 122 122 THR H H 122 9.358 9.358 8.881 0.477 17551 9847 1 14 . 1 1 123 123 SER N N 123 123.389 123.389 123.457 -0.068 17551 9848 1 14 . 1 1 123 123 SER HA H 123 5.196 5.196 5.312 -0.116 17551 9849 1 14 . 1 1 123 123 SER C C 123 172.464 172.464 173.362 -0.898 17551 9850 1 14 . 1 1 123 123 SER CA C 123 57.571 57.571 57.132 0.439 17551 9851 1 14 . 1 1 123 123 SER CB C 123 65.697 65.697 66.352 -0.655 17551 9852 1 14 . 1 1 123 123 SER H H 123 9.749 9.749 9.288 0.461 17551 9853 1 14 . 1 1 124 124 LYS N N 124 125.058 125.058 123.043 2.015 17551 9854 1 14 . 1 1 124 124 LYS HA H 124 4.681 4.681 4.603 0.078 17551 9855 1 14 . 1 1 124 124 LYS C C 124 175.141 175.141 175.612 -0.471 17551 9856 1 14 . 1 1 124 124 LYS CA C 124 54.444 54.444 55.389 -0.945 17551 9857 1 14 . 1 1 124 124 LYS CB C 124 33.492 33.492 33.978 -0.486 17551 9858 1 14 . 1 1 124 124 LYS H H 124 8.808 8.808 8.111 0.697 17551 9859 1 14 . 1 1 125 125 LYS N N 125 126.114 126.114 123.718 2.396 17551 9860 1 14 . 1 1 125 125 LYS HA H 125 4.367 4.367 4.701 -0.334 17551 9861 1 14 . 1 1 125 125 LYS C C 125 176.828 176.828 175.543 1.285 17551 9862 1 14 . 1 1 125 125 LYS CA C 125 56.752 56.752 55.141 1.611 17551 9863 1 14 . 1 1 125 125 LYS CB C 125 32.912 32.912 32.247 0.665 17551 9864 1 14 . 1 1 125 125 LYS H H 125 9.215 9.215 8.636 0.579 17551 9865 1 14 . 1 1 126 126 ILE N N 126 125.207 125.207 125.007 0.200 17551 9866 1 14 . 1 1 126 126 ILE HA H 126 4.302 4.302 4.584 -0.282 17551 9867 1 14 . 1 1 126 126 ILE C C 126 175.240 175.240 173.663 1.577 17551 9868 1 14 . 1 1 126 126 ILE CA C 126 60.067 60.067 59.709 0.358 17551 9869 1 14 . 1 1 126 126 ILE CB C 126 38.611 38.611 41.656 -3.045 17551 9870 1 14 . 1 1 126 126 ILE H H 126 8.777 8.777 8.582 0.195 17551 9871 1 15 . 1 1 2 2 PHE N N 2 114.421 114.421 118.804 -4.383 17551 9872 1 15 . 1 1 2 2 PHE HA H 2 4.205 4.205 4.933 -0.728 17551 9873 1 15 . 1 1 2 2 PHE C C 2 177.675 177.675 176.449 1.226 17551 9874 1 15 . 1 1 2 2 PHE CA C 2 59.748 59.748 58.084 1.664 17551 9875 1 15 . 1 1 2 2 PHE CB C 2 41.014 41.014 40.424 0.590 17551 9876 1 15 . 1 1 2 2 PHE H H 2 9.501 9.501 8.636 0.865 17551 9877 1 15 . 1 1 3 3 THR N N 3 118.304 118.304 115.770 2.534 17551 9878 1 15 . 1 1 3 3 THR HA H 3 4.021 4.021 4.433 -0.412 17551 9879 1 15 . 1 1 3 3 THR C C 3 173.811 173.811 175.096 -1.285 17551 9880 1 15 . 1 1 3 3 THR CA C 3 63.646 63.646 64.233 -0.587 17551 9881 1 15 . 1 1 3 3 THR CB C 3 69.230 69.230 69.374 -0.144 17551 9882 1 15 . 1 1 3 3 THR H H 3 7.721 7.721 7.933 -0.212 17551 9883 1 15 . 1 1 4 4 GLY N N 4 113.320 113.320 110.691 2.629 17551 9884 1 15 . 1 1 4 4 GLY C C 4 169.382 169.382 172.052 -2.670 17551 9885 1 15 . 1 1 4 4 GLY CA C 4 44.343 44.343 44.483 -0.140 17551 9886 1 15 . 1 1 4 4 GLY H H 4 8.881 8.881 8.632 0.249 17551 9887 1 15 . 1 1 5 5 LYS N N 5 120.330 120.330 120.155 0.175 17551 9888 1 15 . 1 1 5 5 LYS HA H 5 5.255 5.255 5.165 0.090 17551 9889 1 15 . 1 1 5 5 LYS C C 5 174.306 174.306 174.821 -0.515 17551 9890 1 15 . 1 1 5 5 LYS CA C 5 54.232 54.232 54.447 -0.215 17551 9891 1 15 . 1 1 5 5 LYS CB C 5 35.137 35.137 35.290 -0.153 17551 9892 1 15 . 1 1 5 5 LYS H H 5 7.914 7.914 8.002 -0.088 17551 9893 1 15 . 1 1 6 6 TYR N N 6 122.260 122.260 121.781 0.479 17551 9894 1 15 . 1 1 6 6 TYR HA H 6 5.617 5.617 5.853 -0.236 17551 9895 1 15 . 1 1 6 6 TYR C C 6 174.519 174.519 175.377 -0.858 17551 9896 1 15 . 1 1 6 6 TYR CA C 6 55.158 55.158 56.194 -1.036 17551 9897 1 15 . 1 1 6 6 TYR CB C 6 41.637 41.637 42.540 -0.903 17551 9898 1 15 . 1 1 6 6 TYR H H 6 9.736 9.736 8.987 0.749 17551 9899 1 15 . 1 1 7 7 GLU N N 7 122.025 122.025 120.406 1.619 17551 9900 1 15 . 1 1 7 7 GLU HA H 7 5.096 5.096 4.888 0.208 17551 9901 1 15 . 1 1 7 7 GLU C C 7 174.888 174.888 175.603 -0.715 17551 9902 1 15 . 1 1 7 7 GLU CA C 7 53.988 53.988 53.758 0.230 17551 9903 1 15 . 1 1 7 7 GLU CB C 7 33.716 33.716 34.435 -0.719 17551 9904 1 15 . 1 1 7 7 GLU H H 7 9.461 9.461 8.581 0.880 17551 9905 1 15 . 1 1 8 8 PHE N N 8 126.529 126.529 121.862 4.667 17551 9906 1 15 . 1 1 8 8 PHE HA H 8 4.599 4.599 4.369 0.230 17551 9907 1 15 . 1 1 8 8 PHE C C 8 172.999 172.999 175.076 -2.077 17551 9908 1 15 . 1 1 8 8 PHE CA C 8 59.847 59.847 59.653 0.194 17551 9909 1 15 . 1 1 8 8 PHE CB C 8 40.687 40.687 39.432 1.255 17551 9910 1 15 . 1 1 8 8 PHE H H 8 7.986 7.986 8.986 -1.000 17551 9911 1 15 . 1 1 9 9 GLU N N 9 129.046 129.046 128.124 0.922 17551 9912 1 15 . 1 1 9 9 GLU HA H 9 4.306 4.306 4.275 0.031 17551 9913 1 15 . 1 1 9 9 GLU C C 9 174.528 174.528 175.343 -0.815 17551 9914 1 15 . 1 1 9 9 GLU CA C 9 56.545 56.545 56.509 0.036 17551 9915 1 15 . 1 1 9 9 GLU CB C 9 32.798 32.798 32.373 0.425 17551 9916 1 15 . 1 1 9 9 GLU H H 9 9.151 9.151 8.453 0.698 17551 9917 1 15 . 1 1 10 10 SER N N 10 111.041 111.041 113.579 -2.538 17551 9918 1 15 . 1 1 10 10 SER HA H 10 4.258 4.258 4.670 -0.412 17551 9919 1 15 . 1 1 10 10 SER C C 10 171.216 171.216 172.075 -0.859 17551 9920 1 15 . 1 1 10 10 SER CA C 10 57.930 57.930 57.680 0.250 17551 9921 1 15 . 1 1 10 10 SER CB C 10 64.720 64.720 66.240 -1.520 17551 9922 1 15 . 1 1 10 10 SER H H 10 7.612 7.612 7.907 -0.295 17551 9923 1 15 . 1 1 11 11 ASP N N 11 118.058 118.058 119.398 -1.340 17551 9924 1 15 . 1 1 11 11 ASP HA H 11 5.500 5.500 5.532 -0.032 17551 9925 1 15 . 1 1 11 11 ASP C C 11 174.845 174.845 174.885 -0.040 17551 9926 1 15 . 1 1 11 11 ASP CA C 11 51.633 51.633 53.237 -1.604 17551 9927 1 15 . 1 1 11 11 ASP H H 11 8.632 8.632 8.419 0.213 17551 9928 1 15 . 1 1 12 12 GLU N N 12 117.523 117.523 120.420 -2.897 17551 9929 1 15 . 1 1 12 12 GLU HA H 12 4.782 4.782 4.666 0.116 17551 9930 1 15 . 1 1 12 12 GLU C C 12 175.293 175.293 175.718 -0.425 17551 9931 1 15 . 1 1 12 12 GLU CB C 12 33.450 33.450 32.963 0.487 17551 9932 1 15 . 1 1 12 12 GLU H H 12 8.562 8.562 8.977 -0.415 17551 9933 1 15 . 1 1 13 13 ASN N N 13 118.877 118.877 121.097 -2.220 17551 9934 1 15 . 1 1 13 13 ASN HA H 13 4.742 4.742 4.737 0.005 17551 9935 1 15 . 1 1 13 13 ASN C C 13 175.303 175.303 175.358 -0.055 17551 9936 1 15 . 1 1 13 13 ASN CA C 13 53.373 53.373 54.714 -1.341 17551 9937 1 15 . 1 1 13 13 ASN CB C 13 37.207 37.207 36.712 0.495 17551 9938 1 15 . 1 1 13 13 ASN H H 13 9.110 9.110 9.080 0.030 17551 9939 1 15 . 1 1 14 14 TYR N N 14 118.061 118.061 120.594 -2.533 17551 9940 1 15 . 1 1 14 14 TYR HA H 14 4.015 4.015 4.191 -0.176 17551 9941 1 15 . 1 1 14 14 TYR C C 14 176.581 176.581 176.631 -0.050 17551 9942 1 15 . 1 1 14 14 TYR CA C 14 62.797 62.797 63.358 -0.560 17551 9943 1 15 . 1 1 14 14 TYR CB C 14 38.998 38.998 38.588 0.410 17551 9944 1 15 . 1 1 14 14 TYR H H 14 8.731 8.731 8.159 0.572 17551 9945 1 15 . 1 1 15 15 ASP N N 15 115.317 115.317 119.047 -3.730 17551 9946 1 15 . 1 1 15 15 ASP HA H 15 4.112 4.112 4.394 -0.282 17551 9947 1 15 . 1 1 15 15 ASP C C 15 178.333 178.333 178.135 0.198 17551 9948 1 15 . 1 1 15 15 ASP CA C 15 57.819 57.819 58.962 -1.143 17551 9949 1 15 . 1 1 15 15 ASP CB C 15 40.410 40.410 40.017 0.392 17551 9950 1 15 . 1 1 15 15 ASP H H 15 8.316 8.316 9.047 -0.731 17551 9951 1 15 . 1 1 16 16 ASP N N 16 117.774 117.774 120.284 -2.510 17551 9952 1 15 . 1 1 16 16 ASP HA H 16 4.392 4.392 4.409 -0.017 17551 9953 1 15 . 1 1 16 16 ASP C C 16 178.597 178.597 178.158 0.439 17551 9954 1 15 . 1 1 16 16 ASP CA C 16 56.348 56.348 57.288 -0.940 17551 9955 1 15 . 1 1 16 16 ASP CB C 16 39.883 39.883 40.456 -0.574 17551 9956 1 15 . 1 1 16 16 ASP H H 16 8.449 8.449 8.540 -0.091 17551 9957 1 15 . 1 1 17 17 PHE N N 17 120.363 120.363 121.253 -0.890 17551 9958 1 15 . 1 1 17 17 PHE HA H 17 4.068 4.068 4.102 -0.034 17551 9959 1 15 . 1 1 17 17 PHE C C 17 176.755 176.755 177.288 -0.533 17551 9960 1 15 . 1 1 17 17 PHE CA C 17 61.840 61.840 60.997 0.843 17551 9961 1 15 . 1 1 17 17 PHE CB C 17 39.794 39.794 39.157 0.636 17551 9962 1 15 . 1 1 17 17 PHE H H 17 7.931 7.931 8.109 -0.178 17551 9963 1 15 . 1 1 18 18 VAL N N 18 110.180 110.180 116.760 -6.580 17551 9964 1 15 . 1 1 18 18 VAL HA H 18 3.595 3.595 3.366 0.229 17551 9965 1 15 . 1 1 18 18 VAL C C 18 178.434 178.434 177.715 0.719 17551 9966 1 15 . 1 1 18 18 VAL CA C 18 64.697 64.697 66.545 -1.848 17551 9967 1 15 . 1 1 18 18 VAL CB C 18 29.602 29.602 31.295 -1.693 17551 9968 1 15 . 1 1 18 18 VAL H H 18 8.294 8.294 8.294 0.000 17551 9969 1 15 . 1 1 19 19 LYS N N 19 119.749 119.749 117.094 2.655 17551 9970 1 15 . 1 1 19 19 LYS HA H 19 4.108 4.108 4.121 -0.013 17551 9971 1 15 . 1 1 19 19 LYS C C 19 179.796 179.796 178.511 1.285 17551 9972 1 15 . 1 1 19 19 LYS CA C 19 58.320 58.320 57.714 0.606 17551 9973 1 15 . 1 1 19 19 LYS CB C 19 31.918 31.918 32.015 -0.097 17551 9974 1 15 . 1 1 19 19 LYS H H 19 7.382 7.382 8.365 -0.983 17551 9975 1 15 . 1 1 20 20 LYS N N 20 121.187 121.187 119.898 1.289 17551 9976 1 15 . 1 1 20 20 LYS HA H 20 4.071 4.071 4.158 -0.087 17551 9977 1 15 . 1 1 20 20 LYS C C 20 179.071 179.071 178.432 0.639 17551 9978 1 15 . 1 1 20 20 LYS CA C 20 57.347 57.347 58.209 -0.862 17551 9979 1 15 . 1 1 20 20 LYS CB C 20 30.633 30.633 32.651 -2.018 17551 9980 1 15 . 1 1 20 20 LYS H H 20 7.718 7.718 7.285 0.433 17551 9981 1 15 . 1 1 21 21 ILE N N 21 109.363 109.363 112.289 -2.926 17551 9982 1 15 . 1 1 21 21 ILE HA H 21 4.212 4.212 4.041 0.171 17551 9983 1 15 . 1 1 21 21 ILE C C 21 176.366 176.366 176.172 0.194 17551 9984 1 15 . 1 1 21 21 ILE CA C 21 61.610 61.610 61.748 -0.138 17551 9985 1 15 . 1 1 21 21 ILE CB C 21 36.968 36.968 38.135 -1.167 17551 9986 1 15 . 1 1 21 21 ILE H H 21 7.591 7.591 7.555 0.036 17551 9987 1 15 . 1 1 22 22 GLY N N 22 107.961 107.961 108.373 -0.412 17551 9988 1 15 . 1 1 22 22 GLY C C 22 174.877 174.877 174.767 0.110 17551 9989 1 15 . 1 1 22 22 GLY CA C 22 45.510 45.510 44.654 0.856 17551 9990 1 15 . 1 1 22 22 GLY H H 22 7.260 7.260 7.448 -0.188 17551 9991 1 15 . 1 1 23 23 LEU N N 23 120.597 120.597 122.618 -2.021 17551 9992 1 15 . 1 1 23 23 LEU HA H 23 4.207 4.207 4.530 -0.323 17551 9993 1 15 . 1 1 23 23 LEU CA C 23 52.923 52.923 52.415 0.508 17551 9994 1 15 . 1 1 23 23 LEU CB C 23 42.241 42.241 42.392 -0.151 17551 9995 1 15 . 1 1 23 23 LEU H H 23 7.314 7.314 7.785 -0.471 17551 9996 1 15 . 1 1 24 24 PRO HA H 24 4.537 4.537 4.435 0.102 17551 9997 1 15 . 1 1 24 24 PRO C C 24 177.702 177.702 177.220 0.482 17551 9998 1 15 . 1 1 24 24 PRO CA C 24 61.891 61.891 62.471 -0.580 17551 9999 1 15 . 1 1 24 24 PRO CB C 24 32.260 32.260 32.609 -0.349 17551 10000 1 15 . 1 1 25 25 ALA N N 25 123.142 123.142 126.913 -3.771 17551 10001 1 15 . 1 1 25 25 ALA HA H 25 3.935 3.935 3.978 -0.043 17551 10002 1 15 . 1 1 25 25 ALA C C 25 179.461 179.461 179.551 -0.090 17551 10003 1 15 . 1 1 25 25 ALA CA C 25 55.314 55.314 55.500 -0.186 17551 10004 1 15 . 1 1 25 25 ALA CB C 25 18.220 18.220 18.487 -0.267 17551 10005 1 15 . 1 1 25 25 ALA H H 25 8.738 8.738 8.683 0.055 17551 10006 1 15 . 1 1 26 26 ASP N N 26 115.440 115.440 117.017 -1.577 17551 10007 1 15 . 1 1 26 26 ASP HA H 26 4.379 4.379 4.412 -0.033 17551 10008 1 15 . 1 1 26 26 ASP C C 26 179.291 179.291 178.612 0.679 17551 10009 1 15 . 1 1 26 26 ASP CA C 26 56.015 56.015 57.323 -1.308 17551 10010 1 15 . 1 1 26 26 ASP CB C 26 38.136 38.136 40.704 -2.568 17551 10011 1 15 . 1 1 26 26 ASP H H 26 8.971 8.971 8.723 0.248 17551 10012 1 15 . 1 1 27 27 LYS N N 27 122.292 122.292 118.399 3.893 17551 10013 1 15 . 1 1 27 27 LYS HA H 27 4.160 4.160 4.287 -0.127 17551 10014 1 15 . 1 1 27 27 LYS C C 27 177.758 177.758 179.010 -1.252 17551 10015 1 15 . 1 1 27 27 LYS CA C 27 58.022 58.022 57.255 0.767 17551 10016 1 15 . 1 1 27 27 LYS CB C 27 31.334 31.334 32.425 -1.091 17551 10017 1 15 . 1 1 27 27 LYS H H 27 7.434 7.434 7.646 -0.212 17551 10018 1 15 . 1 1 28 28 ILE N N 28 119.737 119.737 122.074 -2.337 17551 10019 1 15 . 1 1 28 28 ILE HA H 28 3.586 3.586 3.786 -0.200 17551 10020 1 15 . 1 1 28 28 ILE C C 28 180.386 180.386 178.151 2.235 17551 10021 1 15 . 1 1 28 28 ILE CA C 28 65.027 65.027 65.633 -0.606 17551 10022 1 15 . 1 1 28 28 ILE CB C 28 37.002 37.002 37.920 -0.918 17551 10023 1 15 . 1 1 28 28 ILE H H 28 8.016 8.016 8.559 -0.543 17551 10024 1 15 . 1 1 29 29 GLU N N 29 117.216 117.216 117.458 -0.242 17551 10025 1 15 . 1 1 29 29 GLU HA H 29 4.294 4.294 4.125 0.169 17551 10026 1 15 . 1 1 29 29 GLU C C 29 179.024 179.024 178.992 0.032 17551 10027 1 15 . 1 1 29 29 GLU CA C 29 58.139 58.139 58.746 -0.607 17551 10028 1 15 . 1 1 29 29 GLU CB C 29 28.028 28.028 29.217 -1.189 17551 10029 1 15 . 1 1 29 29 GLU H H 29 7.755 7.755 8.406 -0.651 17551 10030 1 15 . 1 1 30 30 MET N N 30 119.183 119.183 120.446 -1.263 17551 10031 1 15 . 1 1 30 30 MET HA H 30 4.194 4.194 4.425 -0.231 17551 10032 1 15 . 1 1 30 30 MET C C 30 177.683 177.683 177.354 0.329 17551 10033 1 15 . 1 1 30 30 MET CA C 30 58.150 58.150 56.666 1.484 17551 10034 1 15 . 1 1 30 30 MET CB C 30 33.162 33.162 32.898 0.264 17551 10035 1 15 . 1 1 30 30 MET H H 30 7.659 7.659 7.603 0.056 17551 10036 1 15 . 1 1 31 31 GLY N N 31 102.603 102.603 104.537 -1.934 17551 10037 1 15 . 1 1 31 31 GLY C C 31 172.264 172.264 173.052 -0.788 17551 10038 1 15 . 1 1 31 31 GLY CA C 31 45.433 45.433 44.648 0.785 17551 10039 1 15 . 1 1 31 31 GLY H H 31 7.839 7.839 8.343 -0.504 17551 10040 1 15 . 1 1 32 32 ARG N N 32 121.453 121.453 119.885 1.568 17551 10041 1 15 . 1 1 32 32 ARG HA H 32 3.072 3.072 4.167 -1.095 17551 10042 1 15 . 1 1 32 32 ARG C C 32 175.932 175.932 175.243 0.689 17551 10043 1 15 . 1 1 32 32 ARG CA C 32 56.894 56.894 55.755 1.139 17551 10044 1 15 . 1 1 32 32 ARG CB C 32 29.004 29.004 31.073 -2.069 17551 10045 1 15 . 1 1 32 32 ARG H H 32 6.954 6.954 7.140 -0.186 17551 10046 1 15 . 1 1 33 33 ASN N N 33 127.905 127.905 115.765 12.140 17551 10047 1 15 . 1 1 33 33 ASN HA H 33 4.066 4.066 4.201 -0.135 17551 10048 1 15 . 1 1 33 33 ASN C C 33 173.939 173.939 174.176 -0.237 17551 10049 1 15 . 1 1 33 33 ASN CA C 33 53.539 53.539 54.267 -0.728 17551 10050 1 15 . 1 1 33 33 ASN CB C 33 37.017 37.017 37.196 -0.179 17551 10051 1 15 . 1 1 33 33 ASN H H 33 8.990 8.990 8.316 0.674 17551 10052 1 15 . 1 1 34 34 CYS N N 34 116.649 116.649 118.016 -1.367 17551 10053 1 15 . 1 1 34 34 CYS HA H 34 4.018 4.018 4.521 -0.503 17551 10054 1 15 . 1 1 34 34 CYS C C 34 175.384 175.384 174.248 1.136 17551 10055 1 15 . 1 1 34 34 CYS CA C 34 57.216 57.216 57.383 -0.167 17551 10056 1 15 . 1 1 34 34 CYS CB C 34 27.200 27.200 30.383 -3.183 17551 10057 1 15 . 1 1 34 34 CYS H H 34 7.443 7.443 7.535 -0.092 17551 10058 1 15 . 1 1 35 35 LYS N N 35 130.727 130.727 122.569 8.158 17551 10059 1 15 . 1 1 35 35 LYS HA H 35 4.296 4.296 4.476 -0.180 17551 10060 1 15 . 1 1 35 35 LYS C C 35 175.272 175.272 175.258 0.014 17551 10061 1 15 . 1 1 35 35 LYS CA C 35 55.577 55.577 55.711 -0.134 17551 10062 1 15 . 1 1 35 35 LYS CB C 35 29.487 29.487 31.858 -2.371 17551 10063 1 15 . 1 1 35 35 LYS H H 35 8.691 8.691 8.383 0.308 17551 10064 1 15 . 1 1 36 36 ILE N N 36 125.658 125.658 126.029 -0.371 17551 10065 1 15 . 1 1 36 36 ILE HA H 36 4.010 4.010 4.636 -0.626 17551 10066 1 15 . 1 1 36 36 ILE C C 36 177.115 177.115 176.272 0.843 17551 10067 1 15 . 1 1 36 36 ILE CA C 36 62.608 62.608 60.455 2.153 17551 10068 1 15 . 1 1 36 36 ILE CB C 36 39.739 39.739 38.608 1.131 17551 10069 1 15 . 1 1 36 36 ILE H H 36 7.658 7.658 8.007 -0.349 17551 10070 1 15 . 1 1 37 37 VAL N N 37 130.730 130.730 129.640 1.090 17551 10071 1 15 . 1 1 37 37 VAL HA H 37 5.105 5.105 4.732 0.373 17551 10072 1 15 . 1 1 37 37 VAL C C 37 175.295 175.295 176.060 -0.765 17551 10073 1 15 . 1 1 37 37 VAL CA C 37 60.845 60.845 61.745 -0.900 17551 10074 1 15 . 1 1 37 37 VAL CB C 37 33.716 33.716 32.804 0.912 17551 10075 1 15 . 1 1 37 37 VAL H H 37 7.909 7.909 8.538 -0.629 17551 10076 1 15 . 1 1 38 38 THR N N 38 127.066 127.066 124.372 2.694 17551 10077 1 15 . 1 1 38 38 THR HA H 38 5.405 5.405 5.356 0.049 17551 10078 1 15 . 1 1 38 38 THR C C 38 174.035 174.035 173.779 0.256 17551 10079 1 15 . 1 1 38 38 THR CA C 38 61.303 61.303 61.251 0.053 17551 10080 1 15 . 1 1 38 38 THR CB C 38 70.474 70.474 69.763 0.711 17551 10081 1 15 . 1 1 38 38 THR H H 38 9.393 9.393 9.335 0.058 17551 10082 1 15 . 1 1 39 39 GLU N N 39 126.804 126.804 128.953 -2.149 17551 10083 1 15 . 1 1 39 39 GLU HA H 39 5.216 5.216 4.727 0.489 17551 10084 1 15 . 1 1 39 39 GLU C C 39 174.379 174.379 175.060 -0.681 17551 10085 1 15 . 1 1 39 39 GLU CA C 39 54.232 54.232 55.931 -1.699 17551 10086 1 15 . 1 1 39 39 GLU CB C 39 32.531 32.531 31.442 1.089 17551 10087 1 15 . 1 1 39 39 GLU H H 39 9.728 9.728 8.882 0.846 17551 10088 1 15 . 1 1 40 40 VAL N N 40 125.405 125.405 126.773 -1.368 17551 10089 1 15 . 1 1 40 40 VAL HA H 40 4.859 4.859 5.367 -0.508 17551 10090 1 15 . 1 1 40 40 VAL C C 40 176.139 176.139 175.058 1.081 17551 10091 1 15 . 1 1 40 40 VAL CA C 40 60.091 60.091 60.321 -0.230 17551 10092 1 15 . 1 1 40 40 VAL CB C 40 33.952 33.952 34.201 -0.249 17551 10093 1 15 . 1 1 40 40 VAL H H 40 9.326 9.326 9.067 0.259 17551 10094 1 15 . 1 1 41 41 VAL N N 41 127.197 127.197 127.255 -0.058 17551 10095 1 15 . 1 1 41 41 VAL HA H 41 4.144 4.144 4.377 -0.233 17551 10096 1 15 . 1 1 41 41 VAL C C 41 173.604 173.604 174.296 -0.692 17551 10097 1 15 . 1 1 41 41 VAL CA C 41 62.522 62.522 60.513 2.009 17551 10098 1 15 . 1 1 41 41 VAL CB C 41 33.757 33.757 33.985 -0.228 17551 10099 1 15 . 1 1 41 41 VAL H H 41 8.811 8.811 8.029 0.782 17551 10100 1 15 . 1 1 42 42 GLN N N 42 130.317 130.317 127.295 3.022 17551 10101 1 15 . 1 1 42 42 GLN HA H 42 4.430 4.430 3.938 0.492 17551 10102 1 15 . 1 1 42 42 GLN C C 42 174.239 174.239 174.759 -0.520 17551 10103 1 15 . 1 1 42 42 GLN CA C 42 52.960 52.960 55.542 -2.582 17551 10104 1 15 . 1 1 42 42 GLN CB C 42 29.877 29.877 29.218 0.659 17551 10105 1 15 . 1 1 42 42 GLN H H 42 8.345 8.345 8.759 -0.414 17551 10106 1 15 . 1 1 43 43 ASN N N 43 125.513 125.513 127.185 -1.672 17551 10107 1 15 . 1 1 43 43 ASN HA H 43 4.826 4.826 4.808 0.018 17551 10108 1 15 . 1 1 43 43 ASN C C 43 175.350 175.350 175.155 0.195 17551 10109 1 15 . 1 1 43 43 ASN CA C 43 51.303 51.303 51.299 0.004 17551 10110 1 15 . 1 1 43 43 ASN CB C 43 39.051 39.051 38.362 0.689 17551 10111 1 15 . 1 1 43 43 ASN H H 43 8.772 8.772 8.416 0.356 17551 10112 1 15 . 1 1 44 44 GLY N N 44 115.694 115.694 111.798 3.896 17551 10113 1 15 . 1 1 44 44 GLY C C 44 173.199 173.199 174.912 -1.713 17551 10114 1 15 . 1 1 44 44 GLY CA C 44 46.964 46.964 46.767 0.197 17551 10115 1 15 . 1 1 44 44 GLY H H 44 9.187 9.187 8.286 0.901 17551 10116 1 15 . 1 1 45 45 ASN N N 45 125.520 125.520 123.613 1.907 17551 10117 1 15 . 1 1 45 45 ASN HA H 45 4.991 4.991 4.870 0.121 17551 10118 1 15 . 1 1 45 45 ASN C C 45 173.822 173.822 173.056 0.766 17551 10119 1 15 . 1 1 45 45 ASN CA C 45 52.215 52.215 52.396 -0.181 17551 10120 1 15 . 1 1 45 45 ASN CB C 45 38.700 38.700 40.211 -1.511 17551 10121 1 15 . 1 1 45 45 ASN H H 45 8.854 8.854 8.273 0.582 17551 10122 1 15 . 1 1 46 46 ASP N N 46 120.842 120.842 120.821 0.021 17551 10123 1 15 . 1 1 46 46 ASP HA H 46 5.185 5.185 5.177 0.008 17551 10124 1 15 . 1 1 46 46 ASP C C 46 174.705 174.705 174.236 0.469 17551 10125 1 15 . 1 1 46 46 ASP CA C 46 53.658 53.658 52.871 0.787 17551 10126 1 15 . 1 1 46 46 ASP CB C 46 41.025 41.025 41.578 -0.553 17551 10127 1 15 . 1 1 46 46 ASP H H 46 7.921 7.921 7.614 0.307 17551 10128 1 15 . 1 1 47 47 PHE N N 47 121.470 121.470 125.678 -4.208 17551 10129 1 15 . 1 1 47 47 PHE HA H 47 5.161 5.161 5.391 -0.230 17551 10130 1 15 . 1 1 47 47 PHE C C 47 177.125 177.125 175.548 1.577 17551 10131 1 15 . 1 1 47 47 PHE CA C 47 56.591 56.591 55.618 0.973 17551 10132 1 15 . 1 1 47 47 PHE CB C 47 44.035 44.035 41.990 2.045 17551 10133 1 15 . 1 1 47 47 PHE H H 47 9.263 9.263 8.749 0.514 17551 10134 1 15 . 1 1 48 48 THR N N 48 116.950 116.950 116.389 0.561 17551 10135 1 15 . 1 1 48 48 THR HA H 48 4.861 4.861 4.629 0.232 17551 10136 1 15 . 1 1 48 48 THR C C 48 172.499 172.499 173.835 -1.336 17551 10137 1 15 . 1 1 48 48 THR CA C 48 62.943 62.943 61.427 1.516 17551 10138 1 15 . 1 1 48 48 THR CB C 48 70.360 70.360 69.365 0.995 17551 10139 1 15 . 1 1 48 48 THR H H 48 8.831 8.831 8.551 0.280 17551 10140 1 15 . 1 1 49 49 TRP N N 49 132.266 132.266 128.915 3.351 17551 10141 1 15 . 1 1 49 49 TRP HA H 49 4.955 4.955 5.015 -0.060 17551 10142 1 15 . 1 1 49 49 TRP C C 49 175.842 175.842 174.999 0.843 17551 10143 1 15 . 1 1 49 49 TRP CA C 49 57.286 57.286 56.495 0.791 17551 10144 1 15 . 1 1 49 49 TRP CB C 49 31.894 31.894 31.536 0.358 17551 10145 1 15 . 1 1 49 49 TRP H H 49 9.914 9.914 9.246 0.668 17551 10146 1 15 . 1 1 50 50 THR N N 50 131.707 131.707 123.784 7.923 17551 10147 1 15 . 1 1 50 50 THR HA H 50 5.928 5.928 4.740 1.188 17551 10148 1 15 . 1 1 50 50 THR C C 50 173.408 173.408 173.212 0.196 17551 10149 1 15 . 1 1 50 50 THR CA C 50 60.993 60.993 61.642 -0.649 17551 10150 1 15 . 1 1 50 50 THR CB C 50 70.957 70.957 69.855 1.102 17551 10151 1 15 . 1 1 50 50 THR H H 50 9.524 9.524 8.502 1.022 17551 10152 1 15 . 1 1 51 51 GLN N N 51 124.680 124.680 127.037 -2.357 17551 10153 1 15 . 1 1 51 51 GLN HA H 51 5.056 5.056 5.284 -0.228 17551 10154 1 15 . 1 1 51 51 GLN C C 51 175.328 175.328 175.046 0.282 17551 10155 1 15 . 1 1 51 51 GLN CA C 51 56.309 56.309 54.508 1.801 17551 10156 1 15 . 1 1 51 51 GLN CB C 51 29.046 29.046 30.109 -1.063 17551 10157 1 15 . 1 1 51 51 GLN H H 51 9.456 9.456 9.216 0.240 17551 10158 1 15 . 1 1 52 52 HIS N N 52 122.268 122.268 124.575 -2.307 17551 10159 1 15 . 1 1 52 52 HIS HA H 52 5.051 5.051 4.875 0.176 17551 10160 1 15 . 1 1 52 52 HIS C C 52 174.819 174.819 173.988 0.831 17551 10161 1 15 . 1 1 52 52 HIS CA C 52 54.039 54.039 54.976 -0.937 17551 10162 1 15 . 1 1 52 52 HIS CB C 52 29.432 29.432 32.113 -2.681 17551 10163 1 15 . 1 1 52 52 HIS H H 52 9.534 9.534 9.218 0.316 17551 10164 1 15 . 1 1 53 53 PHE N N 53 129.837 129.837 124.324 5.513 17551 10165 1 15 . 1 1 53 53 PHE HA H 53 4.584 4.584 4.952 -0.368 17551 10166 1 15 . 1 1 53 53 PHE CA C 53 56.312 56.312 54.008 2.304 17551 10167 1 15 . 1 1 53 53 PHE CB C 53 40.660 40.660 42.160 -1.500 17551 10168 1 15 . 1 1 53 53 PHE H H 53 8.641 8.641 8.707 -0.066 17551 10169 1 15 . 1 1 54 54 PRO HA H 54 4.291 4.291 4.385 -0.094 17551 10170 1 15 . 1 1 54 54 PRO C C 54 177.389 177.389 176.608 0.781 17551 10171 1 15 . 1 1 54 54 PRO CA C 54 63.569 63.569 63.439 0.130 17551 10172 1 15 . 1 1 54 54 PRO CB C 54 30.471 30.471 30.736 -0.265 17551 10173 1 15 . 1 1 55 55 GLY N N 55 113.867 113.867 113.548 0.319 17551 10174 1 15 . 1 1 55 55 GLY C C 55 175.164 175.164 174.186 0.978 17551 10175 1 15 . 1 1 55 55 GLY CA C 55 45.258 45.258 45.125 0.133 17551 10176 1 15 . 1 1 55 55 GLY H H 55 8.926 8.926 8.550 0.376 17551 10177 1 15 . 1 1 56 56 GLY N N 56 108.877 108.877 108.513 0.364 17551 10178 1 15 . 1 1 56 56 GLY C C 56 174.054 174.054 172.770 1.284 17551 10179 1 15 . 1 1 56 56 GLY CA C 56 44.534 44.534 44.774 -0.240 17551 10180 1 15 . 1 1 56 56 GLY H H 56 8.426 8.426 7.807 0.619 17551 10181 1 15 . 1 1 57 57 ARG N N 57 123.871 123.871 118.785 5.086 17551 10182 1 15 . 1 1 57 57 ARG HA H 57 4.483 4.483 4.514 -0.031 17551 10183 1 15 . 1 1 57 57 ARG C C 57 176.728 176.728 175.339 1.389 17551 10184 1 15 . 1 1 57 57 ARG CA C 57 56.217 56.217 56.044 0.173 17551 10185 1 15 . 1 1 57 57 ARG CB C 57 31.388 31.388 30.718 0.669 17551 10186 1 15 . 1 1 57 57 ARG H H 57 8.474 8.474 8.436 0.038 17551 10187 1 15 . 1 1 58 58 THR N N 58 122.156 122.156 116.407 5.749 17551 10188 1 15 . 1 1 58 58 THR HA H 58 5.299 5.299 4.709 0.590 17551 10189 1 15 . 1 1 58 58 THR C C 58 174.092 174.092 174.552 -0.460 17551 10190 1 15 . 1 1 58 58 THR CA C 58 62.125 62.125 61.062 1.063 17551 10191 1 15 . 1 1 58 58 THR CB C 58 70.339 70.339 70.737 -0.398 17551 10192 1 15 . 1 1 58 58 THR H H 58 8.818 8.818 8.270 0.548 17551 10193 1 15 . 1 1 59 59 THR N N 59 127.287 127.287 124.190 3.097 17551 10194 1 15 . 1 1 59 59 THR HA H 59 4.505 4.505 4.620 -0.115 17551 10195 1 15 . 1 1 59 59 THR C C 59 172.626 172.626 172.786 -0.160 17551 10196 1 15 . 1 1 59 59 THR CA C 59 62.163 62.163 62.232 -0.069 17551 10197 1 15 . 1 1 59 59 THR CB C 59 70.565 70.565 71.043 -0.478 17551 10198 1 15 . 1 1 59 59 THR H H 59 9.281 9.281 9.111 0.170 17551 10199 1 15 . 1 1 60 60 THR N N 60 123.658 123.658 123.015 0.643 17551 10200 1 15 . 1 1 60 60 THR HA H 60 5.105 5.105 5.237 -0.132 17551 10201 1 15 . 1 1 60 60 THR C C 60 172.453 172.453 173.750 -1.297 17551 10202 1 15 . 1 1 60 60 THR CA C 60 61.277 61.277 60.990 0.287 17551 10203 1 15 . 1 1 60 60 THR CB C 60 70.432 70.432 70.844 -0.412 17551 10204 1 15 . 1 1 60 60 THR H H 60 8.952 8.952 8.603 0.349 17551 10205 1 15 . 1 1 61 61 ASN N N 61 124.292 124.292 125.254 -0.962 17551 10206 1 15 . 1 1 61 61 ASN HA H 61 5.384 5.384 5.085 0.299 17551 10207 1 15 . 1 1 61 61 ASN C C 61 173.609 173.609 174.077 -0.468 17551 10208 1 15 . 1 1 61 61 ASN CA C 61 52.190 52.190 52.304 -0.114 17551 10209 1 15 . 1 1 61 61 ASN CB C 61 43.987 43.987 41.572 2.415 17551 10210 1 15 . 1 1 61 61 ASN H H 61 8.848 8.848 9.233 -0.385 17551 10211 1 15 . 1 1 62 62 SER N N 62 118.046 118.046 117.853 0.193 17551 10212 1 15 . 1 1 62 62 SER HA H 62 5.659 5.659 5.129 0.530 17551 10213 1 15 . 1 1 62 62 SER C C 62 172.545 172.545 173.509 -0.964 17551 10214 1 15 . 1 1 62 62 SER CA C 62 56.974 56.974 57.481 -0.507 17551 10215 1 15 . 1 1 62 62 SER CB C 62 64.719 64.719 64.053 0.666 17551 10216 1 15 . 1 1 62 62 SER H H 62 8.986 8.986 8.661 0.325 17551 10217 1 15 . 1 1 63 63 PHE N N 63 118.769 118.769 120.653 -1.884 17551 10218 1 15 . 1 1 63 63 PHE HA H 63 5.016 5.016 5.004 0.012 17551 10219 1 15 . 1 1 63 63 PHE C C 63 172.500 172.500 173.807 -1.307 17551 10220 1 15 . 1 1 63 63 PHE CA C 63 55.793 55.793 56.220 -0.427 17551 10221 1 15 . 1 1 63 63 PHE CB C 63 39.459 39.459 41.430 -1.971 17551 10222 1 15 . 1 1 63 63 PHE H H 63 8.514 8.514 8.506 0.008 17551 10223 1 15 . 1 1 64 64 THR N N 64 120.318 120.318 119.946 0.372 17551 10224 1 15 . 1 1 64 64 THR HA H 64 5.617 5.617 4.913 0.704 17551 10225 1 15 . 1 1 64 64 THR C C 64 175.240 175.240 174.544 0.696 17551 10226 1 15 . 1 1 64 64 THR CA C 64 60.409 60.409 61.129 -0.720 17551 10227 1 15 . 1 1 64 64 THR CB C 64 71.213 71.213 70.292 0.921 17551 10228 1 15 . 1 1 64 64 THR H H 64 9.743 9.743 8.627 1.116 17551 10229 1 15 . 1 1 65 65 ILE N N 65 127.640 127.640 127.177 0.463 17551 10230 1 15 . 1 1 65 65 ILE HA H 65 4.089 4.089 3.876 0.213 17551 10231 1 15 . 1 1 65 65 ILE C C 65 176.477 176.477 177.552 -1.075 17551 10232 1 15 . 1 1 65 65 ILE CA C 65 59.299 59.299 61.676 -2.377 17551 10233 1 15 . 1 1 65 65 ILE CB C 65 35.445 35.445 36.332 -0.887 17551 10234 1 15 . 1 1 65 65 ILE H H 65 8.961 8.961 9.001 -0.040 17551 10235 1 15 . 1 1 66 66 ASP N N 66 117.361 117.361 124.611 -7.250 17551 10236 1 15 . 1 1 66 66 ASP HA H 66 4.080 4.080 4.186 -0.106 17551 10237 1 15 . 1 1 66 66 ASP C C 66 174.730 174.730 174.344 0.386 17551 10238 1 15 . 1 1 66 66 ASP CA C 66 57.150 57.150 55.878 1.272 17551 10239 1 15 . 1 1 66 66 ASP CB C 66 38.442 38.442 40.655 -2.213 17551 10240 1 15 . 1 1 66 66 ASP H H 66 9.264 9.264 9.269 -0.005 17551 10241 1 15 . 1 1 67 67 LYS N N 67 121.171 121.171 118.977 2.194 17551 10242 1 15 . 1 1 67 67 LYS HA H 67 4.805 4.805 4.635 0.170 17551 10243 1 15 . 1 1 67 67 LYS C C 67 175.115 175.115 174.664 0.451 17551 10244 1 15 . 1 1 67 67 LYS CA C 67 53.900 53.900 54.549 -0.649 17551 10245 1 15 . 1 1 67 67 LYS CB C 67 34.256 34.256 35.653 -1.397 17551 10246 1 15 . 1 1 67 67 LYS H H 67 8.185 8.185 7.746 0.439 17551 10247 1 15 . 1 1 68 68 GLU N N 68 130.373 130.373 124.738 5.635 17551 10248 1 15 . 1 1 68 68 GLU HA H 68 4.194 4.194 4.566 -0.372 17551 10249 1 15 . 1 1 68 68 GLU C C 68 175.449 175.449 175.684 -0.235 17551 10250 1 15 . 1 1 68 68 GLU CA C 68 58.343 58.343 56.462 1.881 17551 10251 1 15 . 1 1 68 68 GLU H H 68 8.879 8.879 8.656 0.223 17551 10252 1 15 . 1 1 69 69 ALA N N 69 130.113 130.113 126.794 3.319 17551 10253 1 15 . 1 1 69 69 ALA HA H 69 4.924 4.924 4.696 0.228 17551 10254 1 15 . 1 1 69 69 ALA C C 69 175.797 175.797 175.964 -0.167 17551 10255 1 15 . 1 1 69 69 ALA CA C 69 50.151 50.151 50.383 -0.232 17551 10256 1 15 . 1 1 69 69 ALA CB C 69 22.239 22.239 22.698 -0.459 17551 10257 1 15 . 1 1 69 69 ALA H H 69 8.864 8.864 8.808 0.056 17551 10258 1 15 . 1 1 70 70 ASP N N 70 120.889 120.889 124.567 -3.678 17551 10259 1 15 . 1 1 70 70 ASP HA H 70 4.852 4.852 4.744 0.108 17551 10260 1 15 . 1 1 70 70 ASP C C 70 175.541 175.541 175.153 0.388 17551 10261 1 15 . 1 1 70 70 ASP CA C 70 54.211 54.211 54.968 -0.757 17551 10262 1 15 . 1 1 70 70 ASP CB C 70 41.052 41.052 40.675 0.376 17551 10263 1 15 . 1 1 70 70 ASP H H 70 8.319 8.319 8.600 -0.281 17551 10264 1 15 . 1 1 71 71 MET N N 71 125.005 125.005 122.419 2.586 17551 10265 1 15 . 1 1 71 71 MET HA H 71 4.743 4.743 4.565 0.178 17551 10266 1 15 . 1 1 71 71 MET C C 71 174.047 174.047 173.579 0.468 17551 10267 1 15 . 1 1 71 71 MET CA C 71 54.265 54.265 54.237 0.028 17551 10268 1 15 . 1 1 71 71 MET CB C 71 39.844 39.844 36.697 3.147 17551 10269 1 15 . 1 1 71 71 MET H H 71 8.796 8.796 8.580 0.216 17551 10270 1 15 . 1 1 72 72 GLU N N 72 118.909 118.909 120.205 -1.296 17551 10271 1 15 . 1 1 72 72 GLU HA H 72 5.613 5.613 5.686 -0.073 17551 10272 1 15 . 1 1 72 72 GLU C C 72 176.109 176.109 175.283 0.826 17551 10273 1 15 . 1 1 72 72 GLU CA C 72 53.790 53.790 54.705 -0.914 17551 10274 1 15 . 1 1 72 72 GLU CB C 72 33.986 33.986 33.448 0.538 17551 10275 1 15 . 1 1 72 72 GLU H H 72 9.225 9.225 8.428 0.797 17551 10276 1 15 . 1 1 73 73 THR N N 73 109.667 109.667 116.538 -6.871 17551 10277 1 15 . 1 1 73 73 THR HA H 73 4.538 4.538 4.748 -0.210 17551 10278 1 15 . 1 1 73 73 THR C C 73 176.660 176.660 176.109 0.551 17551 10279 1 15 . 1 1 73 73 THR CA C 73 59.666 59.666 60.260 -0.594 17551 10280 1 15 . 1 1 73 73 THR CB C 73 69.710 69.710 70.700 -0.990 17551 10281 1 15 . 1 1 73 73 THR H H 73 8.904 8.904 8.541 0.363 17551 10282 1 15 . 1 1 74 74 MET N N 74 117.519 117.519 120.308 -2.789 17551 10283 1 15 . 1 1 74 74 MET HA H 74 4.776 4.776 4.266 0.510 17551 10284 1 15 . 1 1 74 74 MET C C 74 176.641 176.641 177.818 -1.177 17551 10285 1 15 . 1 1 74 74 MET CA C 74 58.631 58.631 58.406 0.225 17551 10286 1 15 . 1 1 74 74 MET H H 74 8.206 8.206 8.591 -0.385 17551 10287 1 15 . 1 1 75 75 GLY N N 75 103.810 103.810 105.600 -1.790 17551 10288 1 15 . 1 1 75 75 GLY C C 75 173.956 173.956 174.767 -0.811 17551 10289 1 15 . 1 1 75 75 GLY CA C 75 43.728 43.728 44.620 -0.891 17551 10290 1 15 . 1 1 75 75 GLY H H 75 8.067 8.067 7.716 0.351 17551 10291 1 15 . 1 1 76 76 GLY N N 76 108.498 108.498 108.835 -0.337 17551 10292 1 15 . 1 1 76 76 GLY C C 76 173.267 173.267 173.968 -0.701 17551 10293 1 15 . 1 1 76 76 GLY CA C 76 44.563 44.563 44.589 -0.026 17551 10294 1 15 . 1 1 76 76 GLY H H 76 7.702 7.702 7.872 -0.170 17551 10295 1 15 . 1 1 77 77 ARG N N 77 121.161 121.161 120.657 0.504 17551 10296 1 15 . 1 1 77 77 ARG HA H 77 4.348 4.348 4.482 -0.134 17551 10297 1 15 . 1 1 77 77 ARG C C 77 176.083 176.083 175.682 0.401 17551 10298 1 15 . 1 1 77 77 ARG CA C 77 55.350 55.350 55.103 0.247 17551 10299 1 15 . 1 1 77 77 ARG CB C 77 30.904 30.904 31.245 -0.341 17551 10300 1 15 . 1 1 77 77 ARG H H 77 7.328 7.328 7.693 -0.365 17551 10301 1 15 . 1 1 78 78 LYS N N 78 126.790 126.790 125.570 1.220 17551 10302 1 15 . 1 1 78 78 LYS HA H 78 5.147 5.147 4.792 0.355 17551 10303 1 15 . 1 1 78 78 LYS C C 78 176.961 176.961 176.162 0.799 17551 10304 1 15 . 1 1 78 78 LYS CA C 78 55.487 55.487 55.621 -0.134 17551 10305 1 15 . 1 1 78 78 LYS CB C 78 32.769 32.769 32.594 0.175 17551 10306 1 15 . 1 1 78 78 LYS H H 78 8.771 8.771 8.720 0.051 17551 10307 1 15 . 1 1 79 79 PHE N N 79 119.480 119.480 122.127 -2.647 17551 10308 1 15 . 1 1 79 79 PHE HA H 79 4.898 4.898 4.981 -0.083 17551 10309 1 15 . 1 1 79 79 PHE C C 79 171.587 171.587 173.210 -1.623 17551 10310 1 15 . 1 1 79 79 PHE CA C 79 55.817 55.817 56.715 -0.898 17551 10311 1 15 . 1 1 79 79 PHE CB C 79 40.702 40.702 41.007 -0.305 17551 10312 1 15 . 1 1 79 79 PHE H H 79 8.794 8.794 8.514 0.280 17551 10313 1 15 . 1 1 80 80 LYS N N 80 119.760 119.760 119.301 0.459 17551 10314 1 15 . 1 1 80 80 LYS HA H 80 5.460 5.460 5.327 0.133 17551 10315 1 15 . 1 1 80 80 LYS C C 80 176.538 176.538 175.374 1.164 17551 10316 1 15 . 1 1 80 80 LYS CA C 80 53.988 53.988 55.288 -1.300 17551 10317 1 15 . 1 1 80 80 LYS CB C 80 35.754 35.754 36.283 -0.529 17551 10318 1 15 . 1 1 80 80 LYS H H 80 8.414 8.414 8.446 -0.032 17551 10319 1 15 . 1 1 81 81 ALA N N 81 121.171 121.171 126.018 -4.847 17551 10320 1 15 . 1 1 81 81 ALA HA H 81 4.738 4.738 4.651 0.087 17551 10321 1 15 . 1 1 81 81 ALA C C 81 175.290 175.290 175.262 0.028 17551 10322 1 15 . 1 1 81 81 ALA CA C 81 51.262 51.262 51.108 0.154 17551 10323 1 15 . 1 1 81 81 ALA CB C 81 22.568 22.568 21.973 0.595 17551 10324 1 15 . 1 1 81 81 ALA H H 81 8.525 8.525 8.706 -0.181 17551 10325 1 15 . 1 1 82 82 THR N N 82 117.970 117.970 117.003 0.967 17551 10326 1 15 . 1 1 82 82 THR HA H 82 4.292 4.292 4.717 -0.425 17551 10327 1 15 . 1 1 82 82 THR C C 82 172.556 172.556 173.841 -1.285 17551 10328 1 15 . 1 1 82 82 THR CA C 82 61.640 61.640 61.904 -0.264 17551 10329 1 15 . 1 1 82 82 THR CB C 82 68.485 68.485 69.115 -0.630 17551 10330 1 15 . 1 1 82 82 THR H H 82 8.448 8.448 8.425 0.023 17551 10331 1 15 . 1 1 83 83 VAL N N 83 131.564 131.564 126.833 4.731 17551 10332 1 15 . 1 1 83 83 VAL HA H 83 3.784 3.784 4.446 -0.662 17551 10333 1 15 . 1 1 83 83 VAL C C 83 174.167 174.167 174.887 -0.720 17551 10334 1 15 . 1 1 83 83 VAL CA C 83 62.059 62.059 60.781 1.278 17551 10335 1 15 . 1 1 83 83 VAL CB C 83 31.076 31.076 32.671 -1.595 17551 10336 1 15 . 1 1 83 83 VAL H H 83 9.722 9.722 7.907 1.815 17551 10337 1 15 . 1 1 84 84 LYS N N 84 125.930 125.930 123.993 1.937 17551 10338 1 15 . 1 1 84 84 LYS HA H 84 4.851 4.851 4.816 0.035 17551 10339 1 15 . 1 1 84 84 LYS C C 84 175.025 175.025 174.476 0.549 17551 10340 1 15 . 1 1 84 84 LYS CA C 84 54.213 54.213 54.479 -0.266 17551 10341 1 15 . 1 1 84 84 LYS CB C 84 35.076 35.076 35.630 -0.554 17551 10342 1 15 . 1 1 84 84 LYS H H 84 8.541 8.541 8.832 -0.291 17551 10343 1 15 . 1 1 85 85 MET N N 85 119.366 119.366 120.411 -1.045 17551 10344 1 15 . 1 1 85 85 MET HA H 85 5.517 5.517 5.277 0.240 17551 10345 1 15 . 1 1 85 85 MET C C 85 175.698 175.698 175.266 0.432 17551 10346 1 15 . 1 1 85 85 MET CA C 85 54.256 54.256 54.499 -0.243 17551 10347 1 15 . 1 1 85 85 MET CB C 85 35.406 35.406 36.068 -0.662 17551 10348 1 15 . 1 1 85 85 MET H H 85 8.992 8.992 8.570 0.422 17551 10349 1 15 . 1 1 86 86 GLU N N 86 125.741 125.741 125.912 -0.171 17551 10350 1 15 . 1 1 86 86 GLU HA H 86 4.654 4.654 4.468 0.186 17551 10351 1 15 . 1 1 86 86 GLU C C 86 177.223 177.223 176.746 0.477 17551 10352 1 15 . 1 1 86 86 GLU CA C 86 54.213 54.213 55.868 -1.655 17551 10353 1 15 . 1 1 86 86 GLU CB C 86 31.578 31.578 29.818 1.760 17551 10354 1 15 . 1 1 86 86 GLU H H 86 9.063 9.063 8.966 0.097 17551 10355 1 15 . 1 1 87 87 GLY N N 87 117.720 117.720 113.115 4.605 17551 10356 1 15 . 1 1 87 87 GLY C C 87 175.275 175.275 175.280 -0.005 17551 10357 1 15 . 1 1 87 87 GLY CA C 87 46.902 46.902 44.852 2.050 17551 10358 1 15 . 1 1 87 87 GLY H H 87 9.300 9.300 8.888 0.412 17551 10359 1 15 . 1 1 88 88 GLY N N 88 109.070 109.070 105.487 3.583 17551 10360 1 15 . 1 1 88 88 GLY C C 88 172.863 172.863 173.826 -0.963 17551 10361 1 15 . 1 1 88 88 GLY CA C 88 44.853 44.853 44.999 -0.146 17551 10362 1 15 . 1 1 88 88 GLY H H 88 8.739 8.739 8.343 0.396 17551 10363 1 15 . 1 1 89 89 LYS N N 89 120.150 120.150 118.681 1.469 17551 10364 1 15 . 1 1 89 89 LYS HA H 89 5.113 5.113 5.068 0.045 17551 10365 1 15 . 1 1 89 89 LYS C C 89 175.487 175.487 175.553 -0.066 17551 10366 1 15 . 1 1 89 89 LYS CA C 89 54.363 54.363 54.428 -0.065 17551 10367 1 15 . 1 1 89 89 LYS CB C 89 33.753 33.753 34.580 -0.827 17551 10368 1 15 . 1 1 89 89 LYS H H 89 7.853 7.853 7.517 0.336 17551 10369 1 15 . 1 1 90 90 ILE N N 90 124.537 124.537 126.282 -1.745 17551 10370 1 15 . 1 1 90 90 ILE HA H 90 4.489 4.489 4.256 0.233 17551 10371 1 15 . 1 1 90 90 ILE C C 90 175.679 175.679 175.194 0.485 17551 10372 1 15 . 1 1 90 90 ILE CA C 90 60.930 60.930 61.403 -0.473 17551 10373 1 15 . 1 1 90 90 ILE CB C 90 38.367 38.367 36.994 1.373 17551 10374 1 15 . 1 1 90 90 ILE H H 90 9.081 9.081 8.510 0.571 17551 10375 1 15 . 1 1 91 91 VAL N N 91 124.871 124.871 128.583 -3.712 17551 10376 1 15 . 1 1 91 91 VAL HA H 91 4.591 4.591 5.210 -0.619 17551 10377 1 15 . 1 1 91 91 VAL C C 91 173.890 173.890 173.355 0.535 17551 10378 1 15 . 1 1 91 91 VAL CA C 91 60.743 60.743 58.742 2.001 17551 10379 1 15 . 1 1 91 91 VAL CB C 91 35.279 35.279 35.496 -0.217 17551 10380 1 15 . 1 1 91 91 VAL H H 91 8.786 8.786 8.613 0.173 17551 10381 1 15 . 1 1 92 92 ALA N N 92 129.590 129.590 130.032 -0.442 17551 10382 1 15 . 1 1 92 92 ALA HA H 92 4.563 4.563 4.653 -0.090 17551 10383 1 15 . 1 1 92 92 ALA C C 92 173.855 173.855 174.914 -1.059 17551 10384 1 15 . 1 1 92 92 ALA CA C 92 49.864 49.864 49.806 0.058 17551 10385 1 15 . 1 1 92 92 ALA CB C 92 21.948 21.948 22.590 -0.642 17551 10386 1 15 . 1 1 92 92 ALA H H 92 9.228 9.228 8.902 0.326 17551 10387 1 15 . 1 1 93 93 ASP N N 93 121.654 121.654 122.394 -0.740 17551 10388 1 15 . 1 1 93 93 ASP HA H 93 5.342 5.342 4.877 0.465 17551 10389 1 15 . 1 1 93 93 ASP C C 93 173.521 173.521 174.614 -1.093 17551 10390 1 15 . 1 1 93 93 ASP CA C 93 53.658 53.658 53.623 0.035 17551 10391 1 15 . 1 1 93 93 ASP CB C 93 44.462 44.462 42.472 1.990 17551 10392 1 15 . 1 1 93 93 ASP H H 93 8.326 8.326 7.987 0.339 17551 10393 1 15 . 1 1 94 94 PHE N N 94 122.296 122.296 123.390 -1.094 17551 10394 1 15 . 1 1 94 94 PHE HA H 94 5.024 5.024 4.877 0.147 17551 10395 1 15 . 1 1 94 94 PHE CA C 94 53.952 53.952 55.404 -1.452 17551 10396 1 15 . 1 1 94 94 PHE CB C 94 38.958 38.958 42.341 -3.383 17551 10397 1 15 . 1 1 94 94 PHE H H 94 8.776 8.776 8.025 0.751 17551 10398 1 15 . 1 1 95 95 PRO HA H 95 4.396 4.396 4.314 0.082 17551 10399 1 15 . 1 1 95 95 PRO C C 95 177.375 177.375 176.714 0.661 17551 10400 1 15 . 1 1 95 95 PRO CA C 95 64.386 64.386 63.946 0.440 17551 10401 1 15 . 1 1 95 95 PRO CB C 95 30.432 30.432 31.105 -0.673 17551 10402 1 15 . 1 1 96 96 ASN N N 96 120.924 120.924 119.389 1.535 17551 10403 1 15 . 1 1 96 96 ASN HA H 96 4.619 4.619 4.274 0.345 17551 10404 1 15 . 1 1 96 96 ASN C C 96 174.189 174.189 173.616 0.573 17551 10405 1 15 . 1 1 96 96 ASN CA C 96 53.442 53.442 54.296 -0.854 17551 10406 1 15 . 1 1 96 96 ASN CB C 96 38.069 38.069 38.561 -0.492 17551 10407 1 15 . 1 1 96 96 ASN H H 96 9.183 9.183 9.025 0.158 17551 10408 1 15 . 1 1 97 97 TYR N N 97 120.943 120.943 119.235 1.708 17551 10409 1 15 . 1 1 97 97 TYR HA H 97 4.804 4.804 5.817 -1.013 17551 10410 1 15 . 1 1 97 97 TYR C C 97 172.713 172.713 173.735 -1.022 17551 10411 1 15 . 1 1 97 97 TYR CA C 97 59.314 59.314 56.591 2.723 17551 10412 1 15 . 1 1 97 97 TYR CB C 97 40.512 40.512 41.236 -0.724 17551 10413 1 15 . 1 1 97 97 TYR H H 97 8.066 8.066 7.558 0.508 17551 10414 1 15 . 1 1 98 98 HIS N N 98 128.370 128.370 128.589 -0.219 17551 10415 1 15 . 1 1 98 98 HIS HA H 98 5.466 5.466 5.200 0.266 17551 10416 1 15 . 1 1 98 98 HIS C C 98 172.821 172.821 173.382 -0.561 17551 10417 1 15 . 1 1 98 98 HIS CA C 98 54.311 54.311 54.825 -0.514 17551 10418 1 15 . 1 1 98 98 HIS CB C 98 31.053 31.053 32.276 -1.224 17551 10419 1 15 . 1 1 98 98 HIS H H 98 8.786 8.786 8.697 0.089 17551 10420 1 15 . 1 1 99 99 HIS N N 99 130.146 130.146 130.226 -0.080 17551 10421 1 15 . 1 1 99 99 HIS HA H 99 5.689 5.689 5.699 -0.010 17551 10422 1 15 . 1 1 99 99 HIS C C 99 173.405 173.405 174.112 -0.707 17551 10423 1 15 . 1 1 99 99 HIS CA C 99 55.101 55.101 53.720 1.381 17551 10424 1 15 . 1 1 99 99 HIS CB C 99 34.888 34.888 31.931 2.957 17551 10425 1 15 . 1 1 99 99 HIS H H 99 8.963 8.963 8.335 0.628 17551 10426 1 15 . 1 1 100 100 THR N N 100 117.843 117.843 120.330 -2.487 17551 10427 1 15 . 1 1 100 100 THR HA H 100 5.597 5.597 5.353 0.244 17551 10428 1 15 . 1 1 100 100 THR C C 100 172.563 172.563 172.611 -0.048 17551 10429 1 15 . 1 1 100 100 THR CA C 100 57.863 57.863 60.124 -2.261 17551 10430 1 15 . 1 1 100 100 THR CB C 100 71.830 71.830 71.325 0.505 17551 10431 1 15 . 1 1 100 100 THR H H 100 8.871 8.871 8.878 -0.007 17551 10432 1 15 . 1 1 101 101 ALA N N 101 121.591 121.591 127.332 -5.741 17551 10433 1 15 . 1 1 101 101 ALA HA H 101 5.318 5.318 5.298 0.020 17551 10434 1 15 . 1 1 101 101 ALA C C 101 175.540 175.540 175.644 -0.104 17551 10435 1 15 . 1 1 101 101 ALA CA C 101 50.320 50.320 50.138 0.182 17551 10436 1 15 . 1 1 101 101 ALA CB C 101 22.819 22.819 22.004 0.815 17551 10437 1 15 . 1 1 101 101 ALA H H 101 8.825 8.825 9.020 -0.195 17551 10438 1 15 . 1 1 102 102 GLU N N 102 118.491 118.491 120.741 -2.250 17551 10439 1 15 . 1 1 102 102 GLU HA H 102 5.194 5.194 4.953 0.241 17551 10440 1 15 . 1 1 102 102 GLU C C 102 172.497 172.497 174.129 -1.632 17551 10441 1 15 . 1 1 102 102 GLU CA C 102 53.879 53.879 54.919 -1.040 17551 10442 1 15 . 1 1 102 102 GLU H H 102 8.785 8.785 8.105 0.680 17551 10443 1 15 . 1 1 103 103 ILE N N 103 121.813 121.813 120.159 1.654 17551 10444 1 15 . 1 1 103 103 ILE HA H 103 5.129 5.129 5.088 0.041 17551 10445 1 15 . 1 1 103 103 ILE C C 103 177.119 177.119 175.746 1.373 17551 10446 1 15 . 1 1 103 103 ILE CA C 103 56.631 56.631 59.346 -2.715 17551 10447 1 15 . 1 1 103 103 ILE CB C 103 34.564 34.564 38.477 -3.913 17551 10448 1 15 . 1 1 103 103 ILE H H 103 8.442 8.442 8.468 -0.026 17551 10449 1 15 . 1 1 104 104 SER N N 104 122.295 122.295 123.310 -1.015 17551 10450 1 15 . 1 1 104 104 SER HA H 104 4.783 4.783 4.684 0.099 17551 10451 1 15 . 1 1 104 104 SER CA C 104 55.521 55.521 56.991 -1.470 17551 10452 1 15 . 1 1 104 104 SER CB C 104 63.426 63.426 64.288 -0.862 17551 10453 1 15 . 1 1 104 104 SER H H 104 9.119 9.119 8.994 0.125 17551 10454 1 15 . 1 1 105 105 GLY C C 105 175.730 175.730 175.157 0.573 17551 10455 1 15 . 1 1 105 105 GLY CA C 105 46.925 46.925 44.949 1.976 17551 10456 1 15 . 1 1 106 106 GLY N N 106 105.123 105.123 104.017 1.106 17551 10457 1 15 . 1 1 106 106 GLY C C 106 173.229 173.229 173.070 0.159 17551 10458 1 15 . 1 1 106 106 GLY CA C 106 44.771 44.771 45.301 -0.530 17551 10459 1 15 . 1 1 106 106 GLY H H 106 8.476 8.476 8.410 0.066 17551 10460 1 15 . 1 1 107 107 LYS N N 107 119.187 119.187 117.702 1.485 17551 10461 1 15 . 1 1 107 107 LYS HA H 107 4.856 4.856 4.701 0.155 17551 10462 1 15 . 1 1 107 107 LYS C C 107 174.072 174.072 174.354 -0.282 17551 10463 1 15 . 1 1 107 107 LYS CA C 107 54.240 54.240 54.648 -0.408 17551 10464 1 15 . 1 1 107 107 LYS CB C 107 34.508 34.508 36.009 -1.501 17551 10465 1 15 . 1 1 107 107 LYS H H 107 7.639 7.639 7.351 0.288 17551 10466 1 15 . 1 1 108 108 LEU N N 108 122.725 122.725 125.500 -2.775 17551 10467 1 15 . 1 1 108 108 LEU HA H 108 4.793 4.793 5.107 -0.314 17551 10468 1 15 . 1 1 108 108 LEU C C 108 174.906 174.906 174.837 0.069 17551 10469 1 15 . 1 1 108 108 LEU CA C 108 54.275 54.275 53.429 0.846 17551 10470 1 15 . 1 1 108 108 LEU CB C 108 42.801 42.801 42.624 0.176 17551 10471 1 15 . 1 1 108 108 LEU H H 108 8.481 8.481 8.965 -0.484 17551 10472 1 15 . 1 1 109 109 VAL N N 109 130.844 130.844 128.252 2.592 17551 10473 1 15 . 1 1 109 109 VAL HA H 109 4.953 4.953 5.120 -0.167 17551 10474 1 15 . 1 1 109 109 VAL C C 109 176.004 176.004 174.480 1.524 17551 10475 1 15 . 1 1 109 109 VAL CA C 109 61.541 61.541 59.341 2.200 17551 10476 1 15 . 1 1 109 109 VAL CB C 109 32.721 32.721 33.497 -0.776 17551 10477 1 15 . 1 1 109 109 VAL H H 109 9.391 9.391 8.335 1.056 17551 10478 1 15 . 1 1 110 110 GLU N N 110 130.618 130.618 130.068 0.550 17551 10479 1 15 . 1 1 110 110 GLU HA H 110 5.393 5.393 4.969 0.424 17551 10480 1 15 . 1 1 110 110 GLU C C 110 175.537 175.537 175.644 -0.107 17551 10481 1 15 . 1 1 110 110 GLU CA C 110 53.476 53.476 55.450 -1.974 17551 10482 1 15 . 1 1 110 110 GLU H H 110 9.386 9.386 8.343 1.043 17551 10483 1 15 . 1 1 111 111 ILE N N 111 126.952 126.952 127.890 -0.938 17551 10484 1 15 . 1 1 111 111 ILE HA H 111 4.910 4.910 4.751 0.159 17551 10485 1 15 . 1 1 111 111 ILE C C 111 175.156 175.156 175.112 0.044 17551 10486 1 15 . 1 1 111 111 ILE CA C 111 59.562 59.562 60.347 -0.785 17551 10487 1 15 . 1 1 111 111 ILE CB C 111 39.029 39.029 39.560 -0.531 17551 10488 1 15 . 1 1 111 111 ILE H H 111 8.912 8.912 9.104 -0.192 17551 10489 1 15 . 1 1 112 112 SER N N 112 125.389 125.389 124.848 0.541 17551 10490 1 15 . 1 1 112 112 SER HA H 112 5.524 5.524 5.387 0.137 17551 10491 1 15 . 1 1 112 112 SER C C 112 172.120 172.120 173.707 -1.587 17551 10492 1 15 . 1 1 112 112 SER CA C 112 55.756 55.756 56.284 -0.528 17551 10493 1 15 . 1 1 112 112 SER CB C 112 64.025 64.025 64.604 -0.579 17551 10494 1 15 . 1 1 112 112 SER H H 112 9.495 9.495 9.017 0.478 17551 10495 1 15 . 1 1 113 113 THR N N 113 119.329 119.329 123.412 -4.083 17551 10496 1 15 . 1 1 113 113 THR HA H 113 5.633 5.633 5.485 0.148 17551 10497 1 15 . 1 1 113 113 THR C C 113 174.911 174.911 173.935 0.976 17551 10498 1 15 . 1 1 113 113 THR CA C 113 60.362 60.362 60.876 -0.514 17551 10499 1 15 . 1 1 113 113 THR CB C 113 70.377 70.377 69.680 0.697 17551 10500 1 15 . 1 1 113 113 THR H H 113 9.274 9.274 8.766 0.508 17551 10501 1 15 . 1 1 114 114 SER N N 114 121.027 121.027 120.989 0.038 17551 10502 1 15 . 1 1 114 114 SER HA H 114 4.479 4.479 5.580 -1.101 17551 10503 1 15 . 1 1 114 114 SER C C 114 174.507 174.507 174.964 -0.457 17551 10504 1 15 . 1 1 114 114 SER CA C 114 57.423 57.423 56.916 0.507 17551 10505 1 15 . 1 1 114 114 SER CB C 114 64.798 64.798 65.519 -0.721 17551 10506 1 15 . 1 1 114 114 SER H H 114 8.657 8.657 8.757 -0.100 17551 10507 1 15 . 1 1 115 115 SER N N 115 122.405 122.405 121.730 0.675 17551 10508 1 15 . 1 1 115 115 SER HA H 115 4.092 4.092 4.150 -0.058 17551 10509 1 15 . 1 1 115 115 SER C C 115 174.387 174.387 174.329 0.058 17551 10510 1 15 . 1 1 115 115 SER CA C 115 58.417 58.417 59.705 -1.288 17551 10511 1 15 . 1 1 115 115 SER CB C 115 61.860 61.860 61.697 0.163 17551 10512 1 15 . 1 1 115 115 SER H H 115 9.265 9.265 8.833 0.432 17551 10513 1 15 . 1 1 116 116 GLY N N 116 103.741 103.741 105.059 -1.318 17551 10514 1 15 . 1 1 116 116 GLY C C 116 173.618 173.618 174.188 -0.570 17551 10515 1 15 . 1 1 116 116 GLY CA C 116 44.584 44.584 44.735 -0.151 17551 10516 1 15 . 1 1 116 116 GLY H H 116 8.730 8.730 8.336 0.394 17551 10517 1 15 . 1 1 117 117 VAL N N 117 123.819 123.819 124.723 -0.904 17551 10518 1 15 . 1 1 117 117 VAL HA H 117 4.242 4.242 3.990 0.252 17551 10519 1 15 . 1 1 117 117 VAL C C 117 173.712 173.712 175.468 -1.756 17551 10520 1 15 . 1 1 117 117 VAL CA C 117 61.946 61.946 63.406 -1.460 17551 10521 1 15 . 1 1 117 117 VAL CB C 117 32.244 32.244 32.272 -0.028 17551 10522 1 15 . 1 1 117 117 VAL H H 117 8.177 8.177 7.765 0.412 17551 10523 1 15 . 1 1 118 118 VAL N N 118 127.074 127.074 128.645 -1.571 17551 10524 1 15 . 1 1 118 118 VAL HA H 118 4.519 4.519 4.104 0.415 17551 10525 1 15 . 1 1 118 118 VAL C C 118 174.793 174.793 174.840 -0.047 17551 10526 1 15 . 1 1 118 118 VAL CA C 118 61.227 61.227 61.947 -0.720 17551 10527 1 15 . 1 1 118 118 VAL CB C 118 32.503 32.503 31.349 1.154 17551 10528 1 15 . 1 1 118 118 VAL H H 118 8.441 8.441 8.461 -0.020 17551 10529 1 15 . 1 1 119 119 TYR N N 119 131.178 131.178 131.052 0.126 17551 10530 1 15 . 1 1 119 119 TYR HA H 119 5.095 5.095 4.759 0.336 17551 10531 1 15 . 1 1 119 119 TYR C C 119 173.029 173.029 173.861 -0.832 17551 10532 1 15 . 1 1 119 119 TYR CA C 119 54.862 54.862 56.247 -1.385 17551 10533 1 15 . 1 1 119 119 TYR CB C 119 40.213 40.213 40.068 0.145 17551 10534 1 15 . 1 1 119 119 TYR H H 119 9.315 9.315 9.088 0.227 17551 10535 1 15 . 1 1 120 120 LYS N N 120 126.654 126.654 128.143 -1.489 17551 10536 1 15 . 1 1 120 120 LYS HA H 120 4.922 4.922 4.734 0.188 17551 10537 1 15 . 1 1 120 120 LYS C C 120 173.813 173.813 174.406 -0.593 17551 10538 1 15 . 1 1 120 120 LYS CA C 120 53.685 53.685 54.365 -0.680 17551 10539 1 15 . 1 1 120 120 LYS CB C 120 36.014 36.014 35.313 0.701 17551 10540 1 15 . 1 1 120 120 LYS H H 120 7.342 7.342 8.088 -0.746 17551 10541 1 15 . 1 1 121 121 ARG N N 121 124.124 124.124 124.495 -0.371 17551 10542 1 15 . 1 1 121 121 ARG HA H 121 4.798 4.798 4.946 -0.148 17551 10543 1 15 . 1 1 121 121 ARG C C 121 174.874 174.874 175.299 -0.425 17551 10544 1 15 . 1 1 121 121 ARG CB C 121 34.257 34.257 32.142 2.115 17551 10545 1 15 . 1 1 121 121 ARG H H 121 9.087 9.087 8.278 0.809 17551 10546 1 15 . 1 1 122 122 THR N N 122 122.859 122.859 123.595 -0.736 17551 10547 1 15 . 1 1 122 122 THR HA H 122 5.224 5.224 5.013 0.211 17551 10548 1 15 . 1 1 122 122 THR C C 122 174.321 174.321 174.136 0.185 17551 10549 1 15 . 1 1 122 122 THR CA C 122 62.177 62.177 62.012 0.165 17551 10550 1 15 . 1 1 122 122 THR CB C 122 69.459 69.459 69.760 -0.301 17551 10551 1 15 . 1 1 122 122 THR H H 122 9.358 9.358 9.171 0.187 17551 10552 1 15 . 1 1 123 123 SER N N 123 123.389 123.389 123.917 -0.528 17551 10553 1 15 . 1 1 123 123 SER HA H 123 5.196 5.196 5.531 -0.335 17551 10554 1 15 . 1 1 123 123 SER C C 123 172.464 172.464 173.858 -1.394 17551 10555 1 15 . 1 1 123 123 SER CA C 123 57.571 57.571 57.332 0.239 17551 10556 1 15 . 1 1 123 123 SER CB C 123 65.697 65.697 65.812 -0.115 17551 10557 1 15 . 1 1 123 123 SER H H 123 9.749 9.749 9.335 0.414 17551 10558 1 15 . 1 1 124 124 LYS N N 124 125.058 125.058 123.727 1.331 17551 10559 1 15 . 1 1 124 124 LYS HA H 124 4.681 4.681 4.502 0.179 17551 10560 1 15 . 1 1 124 124 LYS C C 124 175.141 175.141 175.726 -0.585 17551 10561 1 15 . 1 1 124 124 LYS CA C 124 54.444 54.444 55.705 -1.261 17551 10562 1 15 . 1 1 124 124 LYS CB C 124 33.492 33.492 33.867 -0.375 17551 10563 1 15 . 1 1 124 124 LYS H H 124 8.808 8.808 8.376 0.432 17551 10564 1 15 . 1 1 125 125 LYS N N 125 126.114 126.114 123.397 2.717 17551 10565 1 15 . 1 1 125 125 LYS HA H 125 4.367 4.367 4.804 -0.437 17551 10566 1 15 . 1 1 125 125 LYS C C 125 176.828 176.828 175.498 1.330 17551 10567 1 15 . 1 1 125 125 LYS CA C 125 56.752 56.752 55.111 1.641 17551 10568 1 15 . 1 1 125 125 LYS CB C 125 32.912 32.912 32.729 0.183 17551 10569 1 15 . 1 1 125 125 LYS H H 125 9.215 9.215 8.556 0.659 17551 10570 1 15 . 1 1 126 126 ILE N N 126 125.207 125.207 124.464 0.743 17551 10571 1 15 . 1 1 126 126 ILE HA H 126 4.302 4.302 4.538 -0.236 17551 10572 1 15 . 1 1 126 126 ILE C C 126 175.240 175.240 173.676 1.564 17551 10573 1 15 . 1 1 126 126 ILE CA C 126 60.067 60.067 59.725 0.342 17551 10574 1 15 . 1 1 126 126 ILE CB C 126 38.611 38.611 41.931 -3.321 17551 10575 1 15 . 1 1 126 126 ILE H H 126 8.777 8.777 8.567 0.210 17551 10576 1 16 . 1 1 2 2 PHE N N 2 114.421 114.421 119.379 -4.958 17551 10577 1 16 . 1 1 2 2 PHE HA H 2 4.205 4.205 4.809 -0.604 17551 10578 1 16 . 1 1 2 2 PHE C C 2 177.675 177.675 176.488 1.187 17551 10579 1 16 . 1 1 2 2 PHE CA C 2 59.748 59.748 58.032 1.716 17551 10580 1 16 . 1 1 2 2 PHE CB C 2 41.014 41.014 39.185 1.829 17551 10581 1 16 . 1 1 2 2 PHE H H 2 9.501 9.501 8.437 1.064 17551 10582 1 16 . 1 1 3 3 THR N N 3 118.304 118.304 116.916 1.388 17551 10583 1 16 . 1 1 3 3 THR HA H 3 4.021 4.021 4.417 -0.396 17551 10584 1 16 . 1 1 3 3 THR C C 3 173.811 173.811 174.594 -0.783 17551 10585 1 16 . 1 1 3 3 THR CA C 3 63.646 63.646 64.170 -0.524 17551 10586 1 16 . 1 1 3 3 THR CB C 3 69.230 69.230 68.977 0.253 17551 10587 1 16 . 1 1 3 3 THR H H 3 7.721 7.721 8.047 -0.326 17551 10588 1 16 . 1 1 4 4 GLY N N 4 113.320 113.320 111.482 1.838 17551 10589 1 16 . 1 1 4 4 GLY C C 4 169.382 169.382 171.897 -2.515 17551 10590 1 16 . 1 1 4 4 GLY CA C 4 44.343 44.343 44.504 -0.161 17551 10591 1 16 . 1 1 4 4 GLY H H 4 8.881 8.881 8.199 0.682 17551 10592 1 16 . 1 1 5 5 LYS N N 5 120.330 120.330 120.478 -0.148 17551 10593 1 16 . 1 1 5 5 LYS HA H 5 5.255 5.255 5.246 0.009 17551 10594 1 16 . 1 1 5 5 LYS C C 5 174.306 174.306 174.716 -0.410 17551 10595 1 16 . 1 1 5 5 LYS CA C 5 54.232 54.232 54.200 0.032 17551 10596 1 16 . 1 1 5 5 LYS CB C 5 35.137 35.137 35.295 -0.159 17551 10597 1 16 . 1 1 5 5 LYS H H 5 7.914 7.914 7.975 -0.061 17551 10598 1 16 . 1 1 6 6 TYR N N 6 122.260 122.260 122.487 -0.227 17551 10599 1 16 . 1 1 6 6 TYR HA H 6 5.617 5.617 5.856 -0.239 17551 10600 1 16 . 1 1 6 6 TYR C C 6 174.519 174.519 175.406 -0.887 17551 10601 1 16 . 1 1 6 6 TYR CA C 6 55.158 55.158 56.144 -0.986 17551 10602 1 16 . 1 1 6 6 TYR CB C 6 41.637 41.637 42.508 -0.871 17551 10603 1 16 . 1 1 6 6 TYR H H 6 9.736 9.736 9.013 0.723 17551 10604 1 16 . 1 1 7 7 GLU N N 7 122.025 122.025 120.648 1.377 17551 10605 1 16 . 1 1 7 7 GLU HA H 7 5.096 5.096 5.337 -0.241 17551 10606 1 16 . 1 1 7 7 GLU C C 7 174.888 174.888 175.644 -0.756 17551 10607 1 16 . 1 1 7 7 GLU CA C 7 53.988 53.988 53.635 0.353 17551 10608 1 16 . 1 1 7 7 GLU CB C 7 33.716 33.716 34.711 -0.995 17551 10609 1 16 . 1 1 7 7 GLU H H 7 9.461 9.461 8.608 0.853 17551 10610 1 16 . 1 1 8 8 PHE N N 8 126.529 126.529 122.121 4.408 17551 10611 1 16 . 1 1 8 8 PHE HA H 8 4.599 4.599 4.320 0.279 17551 10612 1 16 . 1 1 8 8 PHE C C 8 172.999 172.999 174.799 -1.800 17551 10613 1 16 . 1 1 8 8 PHE CA C 8 59.847 59.847 60.111 -0.264 17551 10614 1 16 . 1 1 8 8 PHE CB C 8 40.687 40.687 39.687 1.000 17551 10615 1 16 . 1 1 8 8 PHE H H 8 7.986 7.986 8.831 -0.845 17551 10616 1 16 . 1 1 9 9 GLU N N 9 129.046 129.046 126.471 2.575 17551 10617 1 16 . 1 1 9 9 GLU HA H 9 4.306 4.306 4.160 0.146 17551 10618 1 16 . 1 1 9 9 GLU C C 9 174.528 174.528 175.117 -0.589 17551 10619 1 16 . 1 1 9 9 GLU CA C 9 56.545 56.545 56.386 0.158 17551 10620 1 16 . 1 1 9 9 GLU CB C 9 32.798 32.798 32.484 0.314 17551 10621 1 16 . 1 1 9 9 GLU H H 9 9.151 9.151 8.167 0.984 17551 10622 1 16 . 1 1 10 10 SER N N 10 111.041 111.041 114.812 -3.771 17551 10623 1 16 . 1 1 10 10 SER HA H 10 4.258 4.258 4.710 -0.452 17551 10624 1 16 . 1 1 10 10 SER C C 10 171.216 171.216 171.970 -0.754 17551 10625 1 16 . 1 1 10 10 SER CA C 10 57.930 57.930 58.162 -0.232 17551 10626 1 16 . 1 1 10 10 SER CB C 10 64.720 64.720 66.139 -1.419 17551 10627 1 16 . 1 1 10 10 SER H H 10 7.612 7.612 7.788 -0.176 17551 10628 1 16 . 1 1 11 11 ASP N N 11 118.058 118.058 122.474 -4.416 17551 10629 1 16 . 1 1 11 11 ASP HA H 11 5.500 5.500 5.576 -0.076 17551 10630 1 16 . 1 1 11 11 ASP C C 11 174.845 174.845 175.068 -0.223 17551 10631 1 16 . 1 1 11 11 ASP CA C 11 51.633 51.633 53.370 -1.737 17551 10632 1 16 . 1 1 11 11 ASP H H 11 8.632 8.632 8.615 0.017 17551 10633 1 16 . 1 1 12 12 GLU N N 12 117.523 117.523 121.733 -4.210 17551 10634 1 16 . 1 1 12 12 GLU HA H 12 4.782 4.782 4.685 0.097 17551 10635 1 16 . 1 1 12 12 GLU C C 12 175.293 175.293 176.065 -0.772 17551 10636 1 16 . 1 1 12 12 GLU CB C 12 33.450 33.450 32.918 0.532 17551 10637 1 16 . 1 1 12 12 GLU H H 12 8.562 8.562 8.902 -0.340 17551 10638 1 16 . 1 1 13 13 ASN N N 13 118.877 118.877 119.180 -0.303 17551 10639 1 16 . 1 1 13 13 ASN HA H 13 4.742 4.742 4.501 0.241 17551 10640 1 16 . 1 1 13 13 ASN C C 13 175.303 175.303 175.009 0.294 17551 10641 1 16 . 1 1 13 13 ASN CA C 13 53.373 53.373 54.252 -0.879 17551 10642 1 16 . 1 1 13 13 ASN CB C 13 37.207 37.207 37.225 -0.018 17551 10643 1 16 . 1 1 13 13 ASN H H 13 9.110 9.110 8.969 0.141 17551 10644 1 16 . 1 1 14 14 TYR N N 14 118.061 118.061 121.132 -3.071 17551 10645 1 16 . 1 1 14 14 TYR HA H 14 4.015 4.015 4.504 -0.489 17551 10646 1 16 . 1 1 14 14 TYR C C 14 176.581 176.581 176.838 -0.257 17551 10647 1 16 . 1 1 14 14 TYR CA C 14 62.797 62.797 62.298 0.499 17551 10648 1 16 . 1 1 14 14 TYR CB C 14 38.998 38.998 38.609 0.389 17551 10649 1 16 . 1 1 14 14 TYR H H 14 8.731 8.731 8.720 0.011 17551 10650 1 16 . 1 1 15 15 ASP N N 15 115.317 115.317 117.961 -2.644 17551 10651 1 16 . 1 1 15 15 ASP HA H 15 4.112 4.112 4.426 -0.314 17551 10652 1 16 . 1 1 15 15 ASP C C 15 178.333 178.333 178.297 0.036 17551 10653 1 16 . 1 1 15 15 ASP CA C 15 57.819 57.819 58.942 -1.123 17551 10654 1 16 . 1 1 15 15 ASP CB C 15 40.410 40.410 39.867 0.543 17551 10655 1 16 . 1 1 15 15 ASP H H 15 8.316 8.316 8.936 -0.620 17551 10656 1 16 . 1 1 16 16 ASP N N 16 117.774 117.774 119.855 -2.081 17551 10657 1 16 . 1 1 16 16 ASP HA H 16 4.392 4.392 4.444 -0.052 17551 10658 1 16 . 1 1 16 16 ASP C C 16 178.597 178.597 178.457 0.140 17551 10659 1 16 . 1 1 16 16 ASP CA C 16 56.348 56.348 57.279 -0.931 17551 10660 1 16 . 1 1 16 16 ASP CB C 16 39.883 39.883 40.542 -0.659 17551 10661 1 16 . 1 1 16 16 ASP H H 16 8.449 8.449 8.688 -0.239 17551 10662 1 16 . 1 1 17 17 PHE N N 17 120.363 120.363 120.964 -0.601 17551 10663 1 16 . 1 1 17 17 PHE HA H 17 4.068 4.068 4.161 -0.093 17551 10664 1 16 . 1 1 17 17 PHE C C 17 176.755 176.755 176.898 -0.143 17551 10665 1 16 . 1 1 17 17 PHE CA C 17 61.840 61.840 61.243 0.597 17551 10666 1 16 . 1 1 17 17 PHE CB C 17 39.794 39.794 39.083 0.711 17551 10667 1 16 . 1 1 17 17 PHE H H 17 7.931 7.931 8.035 -0.104 17551 10668 1 16 . 1 1 18 18 VAL N N 18 110.180 110.180 117.088 -6.908 17551 10669 1 16 . 1 1 18 18 VAL HA H 18 3.595 3.595 3.407 0.188 17551 10670 1 16 . 1 1 18 18 VAL C C 18 178.434 178.434 177.701 0.733 17551 10671 1 16 . 1 1 18 18 VAL CA C 18 64.697 64.697 66.395 -1.698 17551 10672 1 16 . 1 1 18 18 VAL CB C 18 29.602 29.602 31.265 -1.663 17551 10673 1 16 . 1 1 18 18 VAL H H 18 8.294 8.294 8.084 0.210 17551 10674 1 16 . 1 1 19 19 LYS N N 19 119.749 119.749 118.776 0.973 17551 10675 1 16 . 1 1 19 19 LYS HA H 19 4.108 4.108 4.091 0.017 17551 10676 1 16 . 1 1 19 19 LYS C C 19 179.796 179.796 179.049 0.747 17551 10677 1 16 . 1 1 19 19 LYS CA C 19 58.320 58.320 58.287 0.033 17551 10678 1 16 . 1 1 19 19 LYS CB C 19 31.918 31.918 31.880 0.038 17551 10679 1 16 . 1 1 19 19 LYS H H 19 7.382 7.382 8.392 -1.010 17551 10680 1 16 . 1 1 20 20 LYS N N 20 121.187 121.187 120.095 1.092 17551 10681 1 16 . 1 1 20 20 LYS HA H 20 4.071 4.071 4.129 -0.058 17551 10682 1 16 . 1 1 20 20 LYS C C 20 179.071 179.071 178.697 0.374 17551 10683 1 16 . 1 1 20 20 LYS CA C 20 57.347 57.347 58.392 -1.045 17551 10684 1 16 . 1 1 20 20 LYS CB C 20 30.633 30.633 32.426 -1.793 17551 10685 1 16 . 1 1 20 20 LYS H H 20 7.718 7.718 7.362 0.356 17551 10686 1 16 . 1 1 21 21 ILE N N 21 109.363 109.363 111.798 -2.435 17551 10687 1 16 . 1 1 21 21 ILE HA H 21 4.212 4.212 4.036 0.176 17551 10688 1 16 . 1 1 21 21 ILE C C 21 176.366 176.366 176.313 0.053 17551 10689 1 16 . 1 1 21 21 ILE CA C 21 61.610 61.610 61.643 -0.033 17551 10690 1 16 . 1 1 21 21 ILE CB C 21 36.968 36.968 38.051 -1.083 17551 10691 1 16 . 1 1 21 21 ILE H H 21 7.591 7.591 7.567 0.024 17551 10692 1 16 . 1 1 22 22 GLY N N 22 107.961 107.961 108.766 -0.805 17551 10693 1 16 . 1 1 22 22 GLY C C 22 174.877 174.877 174.715 0.162 17551 10694 1 16 . 1 1 22 22 GLY CA C 22 45.510 45.510 45.202 0.308 17551 10695 1 16 . 1 1 22 22 GLY H H 22 7.260 7.260 7.350 -0.090 17551 10696 1 16 . 1 1 23 23 LEU N N 23 120.597 120.597 122.171 -1.574 17551 10697 1 16 . 1 1 23 23 LEU HA H 23 4.207 4.207 4.440 -0.233 17551 10698 1 16 . 1 1 23 23 LEU CA C 23 52.923 52.923 53.173 -0.250 17551 10699 1 16 . 1 1 23 23 LEU CB C 23 42.241 42.241 42.844 -0.603 17551 10700 1 16 . 1 1 23 23 LEU H H 23 7.314 7.314 7.935 -0.621 17551 10701 1 16 . 1 1 24 24 PRO HA H 24 4.537 4.537 4.486 0.051 17551 10702 1 16 . 1 1 24 24 PRO C C 24 177.702 177.702 177.232 0.470 17551 10703 1 16 . 1 1 24 24 PRO CA C 24 61.891 61.891 62.438 -0.547 17551 10704 1 16 . 1 1 24 24 PRO CB C 24 32.260 32.260 32.631 -0.371 17551 10705 1 16 . 1 1 25 25 ALA N N 25 123.142 123.142 126.998 -3.856 17551 10706 1 16 . 1 1 25 25 ALA HA H 25 3.935 3.935 4.006 -0.071 17551 10707 1 16 . 1 1 25 25 ALA C C 25 179.461 179.461 179.622 -0.161 17551 10708 1 16 . 1 1 25 25 ALA CA C 25 55.314 55.314 55.471 -0.157 17551 10709 1 16 . 1 1 25 25 ALA CB C 25 18.220 18.220 18.617 -0.397 17551 10710 1 16 . 1 1 25 25 ALA H H 25 8.738 8.738 8.663 0.075 17551 10711 1 16 . 1 1 26 26 ASP N N 26 115.440 115.440 116.941 -1.501 17551 10712 1 16 . 1 1 26 26 ASP HA H 26 4.379 4.379 4.410 -0.031 17551 10713 1 16 . 1 1 26 26 ASP C C 26 179.291 179.291 178.600 0.691 17551 10714 1 16 . 1 1 26 26 ASP CA C 26 56.015 56.015 57.576 -1.561 17551 10715 1 16 . 1 1 26 26 ASP CB C 26 38.136 38.136 40.788 -2.652 17551 10716 1 16 . 1 1 26 26 ASP H H 26 8.971 8.971 8.757 0.214 17551 10717 1 16 . 1 1 27 27 LYS N N 27 122.292 122.292 118.320 3.972 17551 10718 1 16 . 1 1 27 27 LYS HA H 27 4.160 4.160 4.287 -0.127 17551 10719 1 16 . 1 1 27 27 LYS C C 27 177.758 177.758 178.993 -1.235 17551 10720 1 16 . 1 1 27 27 LYS CA C 27 58.022 58.022 57.162 0.860 17551 10721 1 16 . 1 1 27 27 LYS CB C 27 31.334 31.334 32.330 -0.996 17551 10722 1 16 . 1 1 27 27 LYS H H 27 7.434 7.434 7.529 -0.095 17551 10723 1 16 . 1 1 28 28 ILE N N 28 119.737 119.737 122.176 -2.439 17551 10724 1 16 . 1 1 28 28 ILE HA H 28 3.586 3.586 3.780 -0.194 17551 10725 1 16 . 1 1 28 28 ILE C C 28 180.386 180.386 177.860 2.526 17551 10726 1 16 . 1 1 28 28 ILE CA C 28 65.027 65.027 65.529 -0.502 17551 10727 1 16 . 1 1 28 28 ILE CB C 28 37.002 37.002 37.993 -0.991 17551 10728 1 16 . 1 1 28 28 ILE H H 28 8.016 8.016 8.513 -0.497 17551 10729 1 16 . 1 1 29 29 GLU N N 29 117.216 117.216 117.359 -0.143 17551 10730 1 16 . 1 1 29 29 GLU HA H 29 4.294 4.294 4.128 0.166 17551 10731 1 16 . 1 1 29 29 GLU C C 29 179.024 179.024 178.904 0.120 17551 10732 1 16 . 1 1 29 29 GLU CA C 29 58.139 58.139 58.763 -0.624 17551 10733 1 16 . 1 1 29 29 GLU CB C 29 28.028 28.028 29.378 -1.351 17551 10734 1 16 . 1 1 29 29 GLU H H 29 7.755 7.755 8.212 -0.457 17551 10735 1 16 . 1 1 30 30 MET N N 30 119.183 119.183 119.946 -0.763 17551 10736 1 16 . 1 1 30 30 MET HA H 30 4.194 4.194 4.368 -0.174 17551 10737 1 16 . 1 1 30 30 MET C C 30 177.683 177.683 176.612 1.071 17551 10738 1 16 . 1 1 30 30 MET CA C 30 58.150 58.150 56.552 1.598 17551 10739 1 16 . 1 1 30 30 MET CB C 30 33.162 33.162 33.092 0.070 17551 10740 1 16 . 1 1 30 30 MET H H 30 7.659 7.659 7.546 0.113 17551 10741 1 16 . 1 1 31 31 GLY N N 31 102.603 102.603 104.923 -2.320 17551 10742 1 16 . 1 1 31 31 GLY C C 31 172.264 172.264 172.477 -0.213 17551 10743 1 16 . 1 1 31 31 GLY CA C 31 45.433 45.433 44.502 0.931 17551 10744 1 16 . 1 1 31 31 GLY H H 31 7.839 7.839 8.124 -0.285 17551 10745 1 16 . 1 1 32 32 ARG N N 32 121.453 121.453 119.483 1.970 17551 10746 1 16 . 1 1 32 32 ARG HA H 32 3.072 3.072 5.236 -2.164 17551 10747 1 16 . 1 1 32 32 ARG C C 32 175.932 175.932 175.642 0.290 17551 10748 1 16 . 1 1 32 32 ARG CA C 32 56.894 56.894 54.675 2.219 17551 10749 1 16 . 1 1 32 32 ARG CB C 32 29.004 29.004 32.033 -3.029 17551 10750 1 16 . 1 1 32 32 ARG H H 32 6.954 6.954 7.375 -0.421 17551 10751 1 16 . 1 1 33 33 ASN N N 33 127.905 127.905 118.257 9.648 17551 10752 1 16 . 1 1 33 33 ASN HA H 33 4.066 4.066 4.056 0.010 17551 10753 1 16 . 1 1 33 33 ASN C C 33 173.939 173.939 174.642 -0.703 17551 10754 1 16 . 1 1 33 33 ASN CA C 33 53.539 53.539 54.241 -0.702 17551 10755 1 16 . 1 1 33 33 ASN CB C 33 37.017 37.017 36.583 0.434 17551 10756 1 16 . 1 1 33 33 ASN H H 33 8.990 8.990 8.534 0.456 17551 10757 1 16 . 1 1 34 34 CYS N N 34 116.649 116.649 118.592 -1.943 17551 10758 1 16 . 1 1 34 34 CYS HA H 34 4.018 4.018 4.603 -0.585 17551 10759 1 16 . 1 1 34 34 CYS C C 34 175.384 175.384 174.754 0.630 17551 10760 1 16 . 1 1 34 34 CYS CA C 34 57.216 57.216 58.604 -1.388 17551 10761 1 16 . 1 1 34 34 CYS CB C 34 27.200 27.200 29.726 -2.526 17551 10762 1 16 . 1 1 34 34 CYS H H 34 7.443 7.443 8.182 -0.739 17551 10763 1 16 . 1 1 35 35 LYS N N 35 130.727 130.727 124.683 6.044 17551 10764 1 16 . 1 1 35 35 LYS HA H 35 4.296 4.296 4.429 -0.133 17551 10765 1 16 . 1 1 35 35 LYS C C 35 175.272 175.272 175.436 -0.164 17551 10766 1 16 . 1 1 35 35 LYS CA C 35 55.577 55.577 56.091 -0.514 17551 10767 1 16 . 1 1 35 35 LYS CB C 35 29.487 29.487 31.220 -1.732 17551 10768 1 16 . 1 1 35 35 LYS H H 35 8.691 8.691 8.666 0.025 17551 10769 1 16 . 1 1 36 36 ILE N N 36 125.658 125.658 125.576 0.082 17551 10770 1 16 . 1 1 36 36 ILE HA H 36 4.010 4.010 4.703 -0.693 17551 10771 1 16 . 1 1 36 36 ILE C C 36 177.115 177.115 175.982 1.133 17551 10772 1 16 . 1 1 36 36 ILE CA C 36 62.608 62.608 58.603 4.005 17551 10773 1 16 . 1 1 36 36 ILE CB C 36 39.739 39.739 37.692 2.047 17551 10774 1 16 . 1 1 36 36 ILE H H 36 7.658 7.658 8.128 -0.470 17551 10775 1 16 . 1 1 37 37 VAL N N 37 130.730 130.730 128.888 1.842 17551 10776 1 16 . 1 1 37 37 VAL HA H 37 5.105 5.105 5.067 0.037 17551 10777 1 16 . 1 1 37 37 VAL C C 37 175.295 175.295 176.204 -0.909 17551 10778 1 16 . 1 1 37 37 VAL CA C 37 60.845 60.845 60.555 0.290 17551 10779 1 16 . 1 1 37 37 VAL CB C 37 33.716 33.716 32.508 1.208 17551 10780 1 16 . 1 1 37 37 VAL H H 37 7.909 7.909 8.325 -0.416 17551 10781 1 16 . 1 1 38 38 THR N N 38 127.066 127.066 124.767 2.299 17551 10782 1 16 . 1 1 38 38 THR HA H 38 5.405 5.405 5.335 0.070 17551 10783 1 16 . 1 1 38 38 THR C C 38 174.035 174.035 174.019 0.016 17551 10784 1 16 . 1 1 38 38 THR CA C 38 61.303 61.303 61.233 0.070 17551 10785 1 16 . 1 1 38 38 THR CB C 38 70.474 70.474 69.405 1.069 17551 10786 1 16 . 1 1 38 38 THR H H 38 9.393 9.393 9.450 -0.057 17551 10787 1 16 . 1 1 39 39 GLU N N 39 126.804 126.804 128.944 -2.140 17551 10788 1 16 . 1 1 39 39 GLU HA H 39 5.216 5.216 4.665 0.551 17551 10789 1 16 . 1 1 39 39 GLU C C 39 174.379 174.379 174.860 -0.481 17551 10790 1 16 . 1 1 39 39 GLU CA C 39 54.232 54.232 55.726 -1.494 17551 10791 1 16 . 1 1 39 39 GLU CB C 39 32.531 32.531 30.868 1.663 17551 10792 1 16 . 1 1 39 39 GLU H H 39 9.728 9.728 8.630 1.098 17551 10793 1 16 . 1 1 40 40 VAL N N 40 125.405 125.405 126.714 -1.309 17551 10794 1 16 . 1 1 40 40 VAL HA H 40 4.859 4.859 5.275 -0.416 17551 10795 1 16 . 1 1 40 40 VAL C C 40 176.139 176.139 175.383 0.756 17551 10796 1 16 . 1 1 40 40 VAL CA C 40 60.091 60.091 60.539 -0.449 17551 10797 1 16 . 1 1 40 40 VAL CB C 40 33.952 33.952 33.773 0.179 17551 10798 1 16 . 1 1 40 40 VAL H H 40 9.326 9.326 8.830 0.496 17551 10799 1 16 . 1 1 41 41 VAL N N 41 127.197 127.197 127.085 0.112 17551 10800 1 16 . 1 1 41 41 VAL HA H 41 4.144 4.144 4.389 -0.245 17551 10801 1 16 . 1 1 41 41 VAL C C 41 173.604 173.604 174.168 -0.564 17551 10802 1 16 . 1 1 41 41 VAL CA C 41 62.522 62.522 60.696 1.826 17551 10803 1 16 . 1 1 41 41 VAL CB C 41 33.757 33.757 34.852 -1.095 17551 10804 1 16 . 1 1 41 41 VAL H H 41 8.811 8.811 8.033 0.778 17551 10805 1 16 . 1 1 42 42 GLN N N 42 130.317 130.317 126.611 3.706 17551 10806 1 16 . 1 1 42 42 GLN HA H 42 4.430 4.430 3.918 0.512 17551 10807 1 16 . 1 1 42 42 GLN C C 42 174.239 174.239 174.790 -0.551 17551 10808 1 16 . 1 1 42 42 GLN CA C 42 52.960 52.960 55.832 -2.872 17551 10809 1 16 . 1 1 42 42 GLN CB C 42 29.877 29.877 29.287 0.590 17551 10810 1 16 . 1 1 42 42 GLN H H 42 8.345 8.345 8.707 -0.362 17551 10811 1 16 . 1 1 43 43 ASN N N 43 125.513 125.513 127.128 -1.615 17551 10812 1 16 . 1 1 43 43 ASN HA H 43 4.826 4.826 4.837 -0.011 17551 10813 1 16 . 1 1 43 43 ASN C C 43 175.350 175.350 175.031 0.319 17551 10814 1 16 . 1 1 43 43 ASN CA C 43 51.303 51.303 51.782 -0.479 17551 10815 1 16 . 1 1 43 43 ASN CB C 43 39.051 39.051 38.721 0.329 17551 10816 1 16 . 1 1 43 43 ASN H H 43 8.772 8.772 8.053 0.719 17551 10817 1 16 . 1 1 44 44 GLY N N 44 115.694 115.694 111.808 3.886 17551 10818 1 16 . 1 1 44 44 GLY C C 44 173.199 173.199 174.916 -1.717 17551 10819 1 16 . 1 1 44 44 GLY CA C 44 46.964 46.964 46.676 0.288 17551 10820 1 16 . 1 1 44 44 GLY H H 44 9.187 9.187 8.470 0.717 17551 10821 1 16 . 1 1 45 45 ASN N N 45 125.520 125.520 123.644 1.876 17551 10822 1 16 . 1 1 45 45 ASN HA H 45 4.991 4.991 4.914 0.077 17551 10823 1 16 . 1 1 45 45 ASN C C 45 173.822 173.822 173.081 0.741 17551 10824 1 16 . 1 1 45 45 ASN CA C 45 52.215 52.215 52.446 -0.231 17551 10825 1 16 . 1 1 45 45 ASN CB C 45 38.700 38.700 40.264 -1.564 17551 10826 1 16 . 1 1 45 45 ASN H H 45 8.854 8.854 8.339 0.515 17551 10827 1 16 . 1 1 46 46 ASP N N 46 120.842 120.842 121.029 -0.187 17551 10828 1 16 . 1 1 46 46 ASP HA H 46 5.185 5.185 5.217 -0.032 17551 10829 1 16 . 1 1 46 46 ASP C C 46 174.705 174.705 174.363 0.342 17551 10830 1 16 . 1 1 46 46 ASP CA C 46 53.658 53.658 53.006 0.652 17551 10831 1 16 . 1 1 46 46 ASP CB C 46 41.025 41.025 41.586 -0.561 17551 10832 1 16 . 1 1 46 46 ASP H H 46 7.921 7.921 7.597 0.324 17551 10833 1 16 . 1 1 47 47 PHE N N 47 121.470 121.470 126.510 -5.040 17551 10834 1 16 . 1 1 47 47 PHE HA H 47 5.161 5.161 5.270 -0.109 17551 10835 1 16 . 1 1 47 47 PHE C C 47 177.125 177.125 175.628 1.497 17551 10836 1 16 . 1 1 47 47 PHE CA C 47 56.591 56.591 55.802 0.789 17551 10837 1 16 . 1 1 47 47 PHE CB C 47 44.035 44.035 41.557 2.478 17551 10838 1 16 . 1 1 47 47 PHE H H 47 9.263 9.263 8.606 0.657 17551 10839 1 16 . 1 1 48 48 THR N N 48 116.950 116.950 116.591 0.359 17551 10840 1 16 . 1 1 48 48 THR HA H 48 4.861 4.861 4.761 0.100 17551 10841 1 16 . 1 1 48 48 THR C C 48 172.499 172.499 173.805 -1.306 17551 10842 1 16 . 1 1 48 48 THR CA C 48 62.943 62.943 61.535 1.408 17551 10843 1 16 . 1 1 48 48 THR CB C 48 70.360 70.360 69.697 0.663 17551 10844 1 16 . 1 1 48 48 THR H H 48 8.831 8.831 8.457 0.374 17551 10845 1 16 . 1 1 49 49 TRP N N 49 132.266 132.266 127.693 4.573 17551 10846 1 16 . 1 1 49 49 TRP HA H 49 4.955 4.955 4.981 -0.026 17551 10847 1 16 . 1 1 49 49 TRP C C 49 175.842 175.842 174.644 1.198 17551 10848 1 16 . 1 1 49 49 TRP CA C 49 57.286 57.286 56.129 1.157 17551 10849 1 16 . 1 1 49 49 TRP CB C 49 31.894 31.894 32.158 -0.264 17551 10850 1 16 . 1 1 49 49 TRP H H 49 9.914 9.914 9.566 0.348 17551 10851 1 16 . 1 1 50 50 THR N N 50 131.707 131.707 123.649 8.058 17551 10852 1 16 . 1 1 50 50 THR HA H 50 5.928 5.928 4.775 1.153 17551 10853 1 16 . 1 1 50 50 THR C C 50 173.408 173.408 173.460 -0.052 17551 10854 1 16 . 1 1 50 50 THR CA C 50 60.993 60.993 61.845 -0.852 17551 10855 1 16 . 1 1 50 50 THR CB C 50 70.957 70.957 69.883 1.074 17551 10856 1 16 . 1 1 50 50 THR H H 50 9.524 9.524 8.415 1.109 17551 10857 1 16 . 1 1 51 51 GLN N N 51 124.680 124.680 126.274 -1.594 17551 10858 1 16 . 1 1 51 51 GLN HA H 51 5.056 5.056 5.094 -0.038 17551 10859 1 16 . 1 1 51 51 GLN C C 51 175.328 175.328 174.851 0.477 17551 10860 1 16 . 1 1 51 51 GLN CA C 51 56.309 56.309 54.184 2.125 17551 10861 1 16 . 1 1 51 51 GLN CB C 51 29.046 29.046 30.616 -1.570 17551 10862 1 16 . 1 1 51 51 GLN H H 51 9.456 9.456 9.303 0.153 17551 10863 1 16 . 1 1 52 52 HIS N N 52 122.268 122.268 124.357 -2.089 17551 10864 1 16 . 1 1 52 52 HIS HA H 52 5.051 5.051 4.995 0.056 17551 10865 1 16 . 1 1 52 52 HIS C C 52 174.819 174.819 174.202 0.617 17551 10866 1 16 . 1 1 52 52 HIS CA C 52 54.039 54.039 54.773 -0.734 17551 10867 1 16 . 1 1 52 52 HIS CB C 52 29.432 29.432 31.734 -2.302 17551 10868 1 16 . 1 1 52 52 HIS H H 52 9.534 9.534 8.877 0.657 17551 10869 1 16 . 1 1 53 53 PHE N N 53 129.837 129.837 125.829 4.008 17551 10870 1 16 . 1 1 53 53 PHE HA H 53 4.584 4.584 4.957 -0.373 17551 10871 1 16 . 1 1 53 53 PHE CA C 53 56.312 56.312 53.270 3.042 17551 10872 1 16 . 1 1 53 53 PHE CB C 53 40.660 40.660 41.665 -1.005 17551 10873 1 16 . 1 1 53 53 PHE H H 53 8.641 8.641 9.050 -0.409 17551 10874 1 16 . 1 1 54 54 PRO HA H 54 4.291 4.291 4.372 -0.081 17551 10875 1 16 . 1 1 54 54 PRO C C 54 177.389 177.389 176.646 0.743 17551 10876 1 16 . 1 1 54 54 PRO CA C 54 63.569 63.569 63.524 0.045 17551 10877 1 16 . 1 1 54 54 PRO CB C 54 30.471 30.471 30.942 -0.471 17551 10878 1 16 . 1 1 55 55 GLY N N 55 113.867 113.867 113.319 0.548 17551 10879 1 16 . 1 1 55 55 GLY C C 55 175.164 175.164 174.054 1.110 17551 10880 1 16 . 1 1 55 55 GLY CA C 55 45.258 45.258 45.040 0.218 17551 10881 1 16 . 1 1 55 55 GLY H H 55 8.926 8.926 8.526 0.400 17551 10882 1 16 . 1 1 56 56 GLY N N 56 108.877 108.877 107.992 0.885 17551 10883 1 16 . 1 1 56 56 GLY C C 56 174.054 174.054 172.598 1.456 17551 10884 1 16 . 1 1 56 56 GLY CA C 56 44.534 44.534 44.680 -0.146 17551 10885 1 16 . 1 1 56 56 GLY H H 56 8.426 8.426 7.670 0.756 17551 10886 1 16 . 1 1 57 57 ARG N N 57 123.871 123.871 119.150 4.721 17551 10887 1 16 . 1 1 57 57 ARG HA H 57 4.483 4.483 4.547 -0.064 17551 10888 1 16 . 1 1 57 57 ARG C C 57 176.728 176.728 176.204 0.524 17551 10889 1 16 . 1 1 57 57 ARG CA C 57 56.217 56.217 56.059 0.158 17551 10890 1 16 . 1 1 57 57 ARG CB C 57 31.388 31.388 30.698 0.690 17551 10891 1 16 . 1 1 57 57 ARG H H 57 8.474 8.474 8.539 -0.065 17551 10892 1 16 . 1 1 58 58 THR N N 58 122.156 122.156 117.573 4.583 17551 10893 1 16 . 1 1 58 58 THR HA H 58 5.299 5.299 4.674 0.625 17551 10894 1 16 . 1 1 58 58 THR C C 58 174.092 174.092 174.612 -0.520 17551 10895 1 16 . 1 1 58 58 THR CA C 58 62.125 62.125 61.102 1.023 17551 10896 1 16 . 1 1 58 58 THR CB C 58 70.339 70.339 70.281 0.058 17551 10897 1 16 . 1 1 58 58 THR H H 58 8.818 8.818 8.444 0.374 17551 10898 1 16 . 1 1 59 59 THR N N 59 127.287 127.287 122.118 5.169 17551 10899 1 16 . 1 1 59 59 THR HA H 59 4.505 4.505 4.676 -0.171 17551 10900 1 16 . 1 1 59 59 THR C C 59 172.626 172.626 172.956 -0.330 17551 10901 1 16 . 1 1 59 59 THR CA C 59 62.163 62.163 61.738 0.425 17551 10902 1 16 . 1 1 59 59 THR CB C 59 70.565 70.565 71.620 -1.054 17551 10903 1 16 . 1 1 59 59 THR H H 59 9.281 9.281 8.772 0.509 17551 10904 1 16 . 1 1 60 60 THR N N 60 123.658 123.658 122.248 1.410 17551 10905 1 16 . 1 1 60 60 THR HA H 60 5.105 5.105 5.110 -0.005 17551 10906 1 16 . 1 1 60 60 THR C C 60 172.453 172.453 173.537 -1.084 17551 10907 1 16 . 1 1 60 60 THR CA C 60 61.277 61.277 61.690 -0.413 17551 10908 1 16 . 1 1 60 60 THR CB C 60 70.432 70.432 71.267 -0.835 17551 10909 1 16 . 1 1 60 60 THR H H 60 8.952 8.952 8.517 0.435 17551 10910 1 16 . 1 1 61 61 ASN N N 61 124.292 124.292 125.928 -1.636 17551 10911 1 16 . 1 1 61 61 ASN HA H 61 5.384 5.384 5.109 0.275 17551 10912 1 16 . 1 1 61 61 ASN C C 61 173.609 173.609 173.843 -0.234 17551 10913 1 16 . 1 1 61 61 ASN CA C 61 52.190 52.190 52.909 -0.719 17551 10914 1 16 . 1 1 61 61 ASN CB C 61 43.987 43.987 42.986 1.001 17551 10915 1 16 . 1 1 61 61 ASN H H 61 8.848 8.848 9.132 -0.284 17551 10916 1 16 . 1 1 62 62 SER N N 62 118.046 118.046 116.582 1.464 17551 10917 1 16 . 1 1 62 62 SER HA H 62 5.659 5.659 5.144 0.515 17551 10918 1 16 . 1 1 62 62 SER C C 62 172.545 172.545 173.316 -0.771 17551 10919 1 16 . 1 1 62 62 SER CA C 62 56.974 56.974 57.363 -0.389 17551 10920 1 16 . 1 1 62 62 SER CB C 62 64.719 64.719 64.650 0.069 17551 10921 1 16 . 1 1 62 62 SER H H 62 8.986 8.986 8.772 0.214 17551 10922 1 16 . 1 1 63 63 PHE N N 63 118.769 118.769 121.451 -2.682 17551 10923 1 16 . 1 1 63 63 PHE HA H 63 5.016 5.016 5.047 -0.031 17551 10924 1 16 . 1 1 63 63 PHE C C 63 172.500 172.500 173.895 -1.395 17551 10925 1 16 . 1 1 63 63 PHE CA C 63 55.793 55.793 56.349 -0.556 17551 10926 1 16 . 1 1 63 63 PHE CB C 63 39.459 39.459 41.117 -1.658 17551 10927 1 16 . 1 1 63 63 PHE H H 63 8.514 8.514 8.174 0.340 17551 10928 1 16 . 1 1 64 64 THR N N 64 120.318 120.318 118.847 1.471 17551 10929 1 16 . 1 1 64 64 THR HA H 64 5.617 5.617 5.007 0.610 17551 10930 1 16 . 1 1 64 64 THR C C 64 175.240 175.240 174.679 0.561 17551 10931 1 16 . 1 1 64 64 THR CA C 64 60.409 60.409 61.449 -1.040 17551 10932 1 16 . 1 1 64 64 THR CB C 64 71.213 71.213 70.035 1.178 17551 10933 1 16 . 1 1 64 64 THR H H 64 9.743 9.743 8.611 1.132 17551 10934 1 16 . 1 1 65 65 ILE N N 65 127.640 127.640 127.499 0.141 17551 10935 1 16 . 1 1 65 65 ILE HA H 65 4.089 4.089 3.851 0.238 17551 10936 1 16 . 1 1 65 65 ILE C C 65 176.477 176.477 177.396 -0.919 17551 10937 1 16 . 1 1 65 65 ILE CA C 65 59.299 59.299 61.752 -2.453 17551 10938 1 16 . 1 1 65 65 ILE CB C 65 35.445 35.445 36.350 -0.905 17551 10939 1 16 . 1 1 65 65 ILE H H 65 8.961 8.961 8.863 0.098 17551 10940 1 16 . 1 1 66 66 ASP N N 66 117.361 117.361 124.512 -7.151 17551 10941 1 16 . 1 1 66 66 ASP HA H 66 4.080 4.080 4.221 -0.141 17551 10942 1 16 . 1 1 66 66 ASP C C 66 174.730 174.730 174.283 0.447 17551 10943 1 16 . 1 1 66 66 ASP CA C 66 57.150 57.150 55.907 1.243 17551 10944 1 16 . 1 1 66 66 ASP CB C 66 38.442 38.442 40.503 -2.061 17551 10945 1 16 . 1 1 66 66 ASP H H 66 9.264 9.264 9.315 -0.051 17551 10946 1 16 . 1 1 67 67 LYS N N 67 121.171 121.171 118.388 2.783 17551 10947 1 16 . 1 1 67 67 LYS HA H 67 4.805 4.805 4.585 0.221 17551 10948 1 16 . 1 1 67 67 LYS C C 67 175.115 175.115 175.454 -0.339 17551 10949 1 16 . 1 1 67 67 LYS CA C 67 53.900 53.900 54.639 -0.739 17551 10950 1 16 . 1 1 67 67 LYS CB C 67 34.256 34.256 35.489 -1.233 17551 10951 1 16 . 1 1 67 67 LYS H H 67 8.185 8.185 7.752 0.433 17551 10952 1 16 . 1 1 68 68 GLU N N 68 130.373 130.373 123.189 7.184 17551 10953 1 16 . 1 1 68 68 GLU HA H 68 4.194 4.194 4.314 -0.120 17551 10954 1 16 . 1 1 68 68 GLU C C 68 175.449 175.449 175.684 -0.235 17551 10955 1 16 . 1 1 68 68 GLU CA C 68 58.343 58.343 56.886 1.457 17551 10956 1 16 . 1 1 68 68 GLU H H 68 8.879 8.879 8.705 0.174 17551 10957 1 16 . 1 1 69 69 ALA N N 69 130.113 130.113 127.837 2.276 17551 10958 1 16 . 1 1 69 69 ALA HA H 69 4.924 4.924 4.692 0.232 17551 10959 1 16 . 1 1 69 69 ALA C C 69 175.797 175.797 175.312 0.485 17551 10960 1 16 . 1 1 69 69 ALA CA C 69 50.151 50.151 50.673 -0.522 17551 10961 1 16 . 1 1 69 69 ALA CB C 69 22.239 22.239 22.578 -0.339 17551 10962 1 16 . 1 1 69 69 ALA H H 69 8.864 8.864 8.608 0.256 17551 10963 1 16 . 1 1 70 70 ASP N N 70 120.889 120.889 124.575 -3.686 17551 10964 1 16 . 1 1 70 70 ASP HA H 70 4.852 4.852 4.496 0.356 17551 10965 1 16 . 1 1 70 70 ASP C C 70 175.541 175.541 175.394 0.147 17551 10966 1 16 . 1 1 70 70 ASP CA C 70 54.211 54.211 54.720 -0.509 17551 10967 1 16 . 1 1 70 70 ASP CB C 70 41.052 41.052 41.108 -0.057 17551 10968 1 16 . 1 1 70 70 ASP H H 70 8.319 8.319 8.668 -0.349 17551 10969 1 16 . 1 1 71 71 MET N N 71 125.005 125.005 123.292 1.713 17551 10970 1 16 . 1 1 71 71 MET HA H 71 4.743 4.743 4.642 0.101 17551 10971 1 16 . 1 1 71 71 MET C C 71 174.047 174.047 173.652 0.395 17551 10972 1 16 . 1 1 71 71 MET CA C 71 54.265 54.265 53.844 0.421 17551 10973 1 16 . 1 1 71 71 MET CB C 71 39.844 39.844 37.020 2.825 17551 10974 1 16 . 1 1 71 71 MET H H 71 8.796 8.796 8.470 0.326 17551 10975 1 16 . 1 1 72 72 GLU N N 72 118.909 118.909 120.231 -1.322 17551 10976 1 16 . 1 1 72 72 GLU HA H 72 5.613 5.613 5.397 0.216 17551 10977 1 16 . 1 1 72 72 GLU C C 72 176.109 176.109 175.259 0.850 17551 10978 1 16 . 1 1 72 72 GLU CA C 72 53.790 53.790 54.424 -0.634 17551 10979 1 16 . 1 1 72 72 GLU CB C 72 33.986 33.986 33.483 0.503 17551 10980 1 16 . 1 1 72 72 GLU H H 72 9.225 9.225 8.166 1.059 17551 10981 1 16 . 1 1 73 73 THR N N 73 109.667 109.667 116.827 -7.160 17551 10982 1 16 . 1 1 73 73 THR HA H 73 4.538 4.538 4.715 -0.177 17551 10983 1 16 . 1 1 73 73 THR C C 73 176.660 176.660 175.805 0.855 17551 10984 1 16 . 1 1 73 73 THR CA C 73 59.666 59.666 60.349 -0.683 17551 10985 1 16 . 1 1 73 73 THR CB C 73 69.710 69.710 70.340 -0.630 17551 10986 1 16 . 1 1 73 73 THR H H 73 8.904 8.904 8.704 0.200 17551 10987 1 16 . 1 1 74 74 MET N N 74 117.519 117.519 119.243 -1.724 17551 10988 1 16 . 1 1 74 74 MET HA H 74 4.776 4.776 4.348 0.428 17551 10989 1 16 . 1 1 74 74 MET C C 74 176.641 176.641 176.898 -0.257 17551 10990 1 16 . 1 1 74 74 MET CA C 74 58.631 58.631 57.652 0.979 17551 10991 1 16 . 1 1 74 74 MET H H 74 8.206 8.206 8.471 -0.265 17551 10992 1 16 . 1 1 75 75 GLY N N 75 103.810 103.810 103.691 0.119 17551 10993 1 16 . 1 1 75 75 GLY C C 75 173.956 173.956 174.976 -1.020 17551 10994 1 16 . 1 1 75 75 GLY CA C 75 43.728 43.728 44.585 -0.857 17551 10995 1 16 . 1 1 75 75 GLY H H 75 8.067 8.067 7.514 0.553 17551 10996 1 16 . 1 1 76 76 GLY N N 76 108.498 108.498 108.907 -0.409 17551 10997 1 16 . 1 1 76 76 GLY C C 76 173.267 173.267 174.354 -1.087 17551 10998 1 16 . 1 1 76 76 GLY CA C 76 44.563 44.563 44.775 -0.212 17551 10999 1 16 . 1 1 76 76 GLY H H 76 7.702 7.702 7.519 0.183 17551 11000 1 16 . 1 1 77 77 ARG N N 77 121.161 121.161 120.583 0.578 17551 11001 1 16 . 1 1 77 77 ARG HA H 77 4.348 4.348 4.484 -0.136 17551 11002 1 16 . 1 1 77 77 ARG C C 77 176.083 176.083 175.339 0.744 17551 11003 1 16 . 1 1 77 77 ARG CA C 77 55.350 55.350 55.129 0.221 17551 11004 1 16 . 1 1 77 77 ARG CB C 77 30.904 30.904 31.657 -0.753 17551 11005 1 16 . 1 1 77 77 ARG H H 77 7.328 7.328 7.794 -0.466 17551 11006 1 16 . 1 1 78 78 LYS N N 78 126.790 126.790 125.096 1.694 17551 11007 1 16 . 1 1 78 78 LYS HA H 78 5.147 5.147 4.743 0.404 17551 11008 1 16 . 1 1 78 78 LYS C C 78 176.961 176.961 176.173 0.788 17551 11009 1 16 . 1 1 78 78 LYS CA C 78 55.487 55.487 56.061 -0.574 17551 11010 1 16 . 1 1 78 78 LYS CB C 78 32.769 32.769 33.231 -0.462 17551 11011 1 16 . 1 1 78 78 LYS H H 78 8.771 8.771 8.682 0.089 17551 11012 1 16 . 1 1 79 79 PHE N N 79 119.480 119.480 121.273 -1.793 17551 11013 1 16 . 1 1 79 79 PHE HA H 79 4.898 4.898 4.909 -0.011 17551 11014 1 16 . 1 1 79 79 PHE C C 79 171.587 171.587 172.610 -1.023 17551 11015 1 16 . 1 1 79 79 PHE CA C 79 55.817 55.817 56.718 -0.901 17551 11016 1 16 . 1 1 79 79 PHE CB C 79 40.702 40.702 41.760 -1.058 17551 11017 1 16 . 1 1 79 79 PHE H H 79 8.794 8.794 8.518 0.276 17551 11018 1 16 . 1 1 80 80 LYS N N 80 119.760 119.760 119.117 0.643 17551 11019 1 16 . 1 1 80 80 LYS HA H 80 5.460 5.460 5.121 0.339 17551 11020 1 16 . 1 1 80 80 LYS C C 80 176.538 176.538 174.456 2.082 17551 11021 1 16 . 1 1 80 80 LYS CA C 80 53.988 53.988 55.106 -1.118 17551 11022 1 16 . 1 1 80 80 LYS CB C 80 35.754 35.754 36.546 -0.792 17551 11023 1 16 . 1 1 80 80 LYS H H 80 8.414 8.414 8.458 -0.044 17551 11024 1 16 . 1 1 81 81 ALA N N 81 121.171 121.171 123.610 -2.439 17551 11025 1 16 . 1 1 81 81 ALA HA H 81 4.738 4.738 4.608 0.130 17551 11026 1 16 . 1 1 81 81 ALA C C 81 175.290 175.290 175.169 0.121 17551 11027 1 16 . 1 1 81 81 ALA CA C 81 51.262 51.262 51.536 -0.274 17551 11028 1 16 . 1 1 81 81 ALA CB C 81 22.568 22.568 21.752 0.816 17551 11029 1 16 . 1 1 81 81 ALA H H 81 8.525 8.525 8.835 -0.310 17551 11030 1 16 . 1 1 82 82 THR N N 82 117.970 117.970 116.380 1.590 17551 11031 1 16 . 1 1 82 82 THR HA H 82 4.292 4.292 4.904 -0.612 17551 11032 1 16 . 1 1 82 82 THR C C 82 172.556 172.556 174.261 -1.705 17551 11033 1 16 . 1 1 82 82 THR CA C 82 61.640 61.640 61.827 -0.187 17551 11034 1 16 . 1 1 82 82 THR CB C 82 68.485 68.485 69.410 -0.925 17551 11035 1 16 . 1 1 82 82 THR H H 82 8.448 8.448 8.408 0.040 17551 11036 1 16 . 1 1 83 83 VAL N N 83 131.564 131.564 124.708 6.856 17551 11037 1 16 . 1 1 83 83 VAL HA H 83 3.784 3.784 4.749 -0.965 17551 11038 1 16 . 1 1 83 83 VAL C C 83 174.167 174.167 174.226 -0.059 17551 11039 1 16 . 1 1 83 83 VAL CA C 83 62.059 62.059 60.710 1.349 17551 11040 1 16 . 1 1 83 83 VAL CB C 83 31.076 31.076 34.509 -3.433 17551 11041 1 16 . 1 1 83 83 VAL H H 83 9.722 9.722 7.957 1.765 17551 11042 1 16 . 1 1 84 84 LYS N N 84 125.930 125.930 122.837 3.093 17551 11043 1 16 . 1 1 84 84 LYS HA H 84 4.851 4.851 4.789 0.062 17551 11044 1 16 . 1 1 84 84 LYS C C 84 175.025 175.025 174.447 0.578 17551 11045 1 16 . 1 1 84 84 LYS CA C 84 54.213 54.213 54.215 -0.002 17551 11046 1 16 . 1 1 84 84 LYS CB C 84 35.076 35.076 36.226 -1.150 17551 11047 1 16 . 1 1 84 84 LYS H H 84 8.541 8.541 9.076 -0.535 17551 11048 1 16 . 1 1 85 85 MET N N 85 119.366 119.366 120.469 -1.103 17551 11049 1 16 . 1 1 85 85 MET HA H 85 5.517 5.517 5.280 0.237 17551 11050 1 16 . 1 1 85 85 MET C C 85 175.698 175.698 175.559 0.139 17551 11051 1 16 . 1 1 85 85 MET CA C 85 54.256 54.256 54.466 -0.210 17551 11052 1 16 . 1 1 85 85 MET CB C 85 35.406 35.406 35.967 -0.561 17551 11053 1 16 . 1 1 85 85 MET H H 85 8.992 8.992 8.639 0.353 17551 11054 1 16 . 1 1 86 86 GLU N N 86 125.741 125.741 125.302 0.439 17551 11055 1 16 . 1 1 86 86 GLU HA H 86 4.654 4.654 4.524 0.130 17551 11056 1 16 . 1 1 86 86 GLU C C 86 177.223 177.223 176.635 0.588 17551 11057 1 16 . 1 1 86 86 GLU CA C 86 54.213 54.213 55.608 -1.395 17551 11058 1 16 . 1 1 86 86 GLU CB C 86 31.578 31.578 29.385 2.193 17551 11059 1 16 . 1 1 86 86 GLU H H 86 9.063 9.063 8.966 0.097 17551 11060 1 16 . 1 1 87 87 GLY N N 87 117.720 117.720 112.890 4.830 17551 11061 1 16 . 1 1 87 87 GLY C C 87 175.275 175.275 175.269 0.006 17551 11062 1 16 . 1 1 87 87 GLY CA C 87 46.902 46.902 45.010 1.892 17551 11063 1 16 . 1 1 87 87 GLY H H 87 9.300 9.300 8.709 0.591 17551 11064 1 16 . 1 1 88 88 GLY N N 88 109.070 109.070 105.722 3.348 17551 11065 1 16 . 1 1 88 88 GLY C C 88 172.863 172.863 173.727 -0.864 17551 11066 1 16 . 1 1 88 88 GLY CA C 88 44.853 44.853 44.992 -0.139 17551 11067 1 16 . 1 1 88 88 GLY H H 88 8.739 8.739 8.356 0.383 17551 11068 1 16 . 1 1 89 89 LYS N N 89 120.150 120.150 118.539 1.611 17551 11069 1 16 . 1 1 89 89 LYS HA H 89 5.113 5.113 5.192 -0.079 17551 11070 1 16 . 1 1 89 89 LYS C C 89 175.487 175.487 175.438 0.049 17551 11071 1 16 . 1 1 89 89 LYS CA C 89 54.363 54.363 54.668 -0.305 17551 11072 1 16 . 1 1 89 89 LYS CB C 89 33.753 33.753 34.947 -1.194 17551 11073 1 16 . 1 1 89 89 LYS H H 89 7.853 7.853 7.715 0.138 17551 11074 1 16 . 1 1 90 90 ILE N N 90 124.537 124.537 126.306 -1.769 17551 11075 1 16 . 1 1 90 90 ILE HA H 90 4.489 4.489 4.391 0.098 17551 11076 1 16 . 1 1 90 90 ILE C C 90 175.679 175.679 174.935 0.744 17551 11077 1 16 . 1 1 90 90 ILE CA C 90 60.930 60.930 61.328 -0.398 17551 11078 1 16 . 1 1 90 90 ILE CB C 90 38.367 38.367 37.244 1.123 17551 11079 1 16 . 1 1 90 90 ILE H H 90 9.081 9.081 8.463 0.618 17551 11080 1 16 . 1 1 91 91 VAL N N 91 124.871 124.871 129.155 -4.284 17551 11081 1 16 . 1 1 91 91 VAL HA H 91 4.591 4.591 5.102 -0.511 17551 11082 1 16 . 1 1 91 91 VAL C C 91 173.890 173.890 173.236 0.654 17551 11083 1 16 . 1 1 91 91 VAL CA C 91 60.743 60.743 59.119 1.624 17551 11084 1 16 . 1 1 91 91 VAL CB C 91 35.279 35.279 36.027 -0.748 17551 11085 1 16 . 1 1 91 91 VAL H H 91 8.786 8.786 8.911 -0.125 17551 11086 1 16 . 1 1 92 92 ALA N N 92 129.590 129.590 130.901 -1.311 17551 11087 1 16 . 1 1 92 92 ALA HA H 92 4.563 4.563 4.777 -0.214 17551 11088 1 16 . 1 1 92 92 ALA C C 92 173.855 173.855 175.143 -1.288 17551 11089 1 16 . 1 1 92 92 ALA CA C 92 49.864 49.864 49.609 0.255 17551 11090 1 16 . 1 1 92 92 ALA CB C 92 21.948 21.948 21.891 0.057 17551 11091 1 16 . 1 1 92 92 ALA H H 92 9.228 9.228 8.985 0.243 17551 11092 1 16 . 1 1 93 93 ASP N N 93 121.654 121.654 122.967 -1.313 17551 11093 1 16 . 1 1 93 93 ASP HA H 93 5.342 5.342 4.759 0.583 17551 11094 1 16 . 1 1 93 93 ASP C C 93 173.521 173.521 174.584 -1.063 17551 11095 1 16 . 1 1 93 93 ASP CA C 93 53.658 53.658 53.984 -0.326 17551 11096 1 16 . 1 1 93 93 ASP CB C 93 44.462 44.462 42.332 2.130 17551 11097 1 16 . 1 1 93 93 ASP H H 93 8.326 8.326 7.751 0.575 17551 11098 1 16 . 1 1 94 94 PHE N N 94 122.296 122.296 123.266 -0.970 17551 11099 1 16 . 1 1 94 94 PHE HA H 94 5.024 5.024 4.843 0.181 17551 11100 1 16 . 1 1 94 94 PHE CA C 94 53.952 53.952 55.475 -1.523 17551 11101 1 16 . 1 1 94 94 PHE CB C 94 38.958 38.958 42.601 -3.643 17551 11102 1 16 . 1 1 94 94 PHE H H 94 8.776 8.776 7.873 0.903 17551 11103 1 16 . 1 1 95 95 PRO HA H 95 4.396 4.396 4.569 -0.173 17551 11104 1 16 . 1 1 95 95 PRO C C 95 177.375 177.375 176.942 0.433 17551 11105 1 16 . 1 1 95 95 PRO CA C 95 64.386 64.386 63.769 0.617 17551 11106 1 16 . 1 1 95 95 PRO CB C 95 30.432 30.432 31.403 -0.971 17551 11107 1 16 . 1 1 96 96 ASN N N 96 120.924 120.924 119.806 1.118 17551 11108 1 16 . 1 1 96 96 ASN HA H 96 4.619 4.619 4.381 0.238 17551 11109 1 16 . 1 1 96 96 ASN C C 96 174.189 174.189 173.295 0.894 17551 11110 1 16 . 1 1 96 96 ASN CA C 96 53.442 53.442 54.432 -0.990 17551 11111 1 16 . 1 1 96 96 ASN CB C 96 38.069 38.069 37.340 0.729 17551 11112 1 16 . 1 1 96 96 ASN H H 96 9.183 9.183 9.072 0.111 17551 11113 1 16 . 1 1 97 97 TYR N N 97 120.943 120.943 119.028 1.915 17551 11114 1 16 . 1 1 97 97 TYR HA H 97 4.804 4.804 5.654 -0.850 17551 11115 1 16 . 1 1 97 97 TYR C C 97 172.713 172.713 173.531 -0.818 17551 11116 1 16 . 1 1 97 97 TYR CA C 97 59.314 59.314 56.990 2.324 17551 11117 1 16 . 1 1 97 97 TYR CB C 97 40.512 40.512 41.394 -0.882 17551 11118 1 16 . 1 1 97 97 TYR H H 97 8.066 8.066 7.500 0.566 17551 11119 1 16 . 1 1 98 98 HIS N N 98 128.370 128.370 127.846 0.524 17551 11120 1 16 . 1 1 98 98 HIS HA H 98 5.466 5.466 5.186 0.280 17551 11121 1 16 . 1 1 98 98 HIS C C 98 172.821 172.821 173.324 -0.503 17551 11122 1 16 . 1 1 98 98 HIS CA C 98 54.311 54.311 54.907 -0.597 17551 11123 1 16 . 1 1 98 98 HIS CB C 98 31.053 31.053 32.675 -1.621 17551 11124 1 16 . 1 1 98 98 HIS H H 98 8.786 8.786 8.779 0.007 17551 11125 1 16 . 1 1 99 99 HIS N N 99 130.146 130.146 130.074 0.072 17551 11126 1 16 . 1 1 99 99 HIS HA H 99 5.689 5.689 5.704 -0.015 17551 11127 1 16 . 1 1 99 99 HIS C C 99 173.405 173.405 174.061 -0.656 17551 11128 1 16 . 1 1 99 99 HIS CA C 99 55.101 55.101 54.024 1.077 17551 11129 1 16 . 1 1 99 99 HIS CB C 99 34.888 34.888 32.221 2.667 17551 11130 1 16 . 1 1 99 99 HIS H H 99 8.963 8.963 8.316 0.647 17551 11131 1 16 . 1 1 100 100 THR N N 100 117.843 117.843 119.977 -2.134 17551 11132 1 16 . 1 1 100 100 THR HA H 100 5.597 5.597 5.274 0.323 17551 11133 1 16 . 1 1 100 100 THR C C 100 172.563 172.563 172.663 -0.100 17551 11134 1 16 . 1 1 100 100 THR CA C 100 57.863 57.863 59.928 -2.065 17551 11135 1 16 . 1 1 100 100 THR CB C 100 71.830 71.830 71.257 0.573 17551 11136 1 16 . 1 1 100 100 THR H H 100 8.871 8.871 8.830 0.041 17551 11137 1 16 . 1 1 101 101 ALA N N 101 121.591 121.591 127.511 -5.920 17551 11138 1 16 . 1 1 101 101 ALA HA H 101 5.318 5.318 4.997 0.321 17551 11139 1 16 . 1 1 101 101 ALA C C 101 175.540 175.540 175.534 0.006 17551 11140 1 16 . 1 1 101 101 ALA CA C 101 50.320 50.320 50.238 0.082 17551 11141 1 16 . 1 1 101 101 ALA CB C 101 22.819 22.819 21.439 1.380 17551 11142 1 16 . 1 1 101 101 ALA H H 101 8.825 8.825 9.015 -0.190 17551 11143 1 16 . 1 1 102 102 GLU N N 102 118.491 118.491 121.096 -2.605 17551 11144 1 16 . 1 1 102 102 GLU HA H 102 5.194 5.194 5.038 0.156 17551 11145 1 16 . 1 1 102 102 GLU C C 102 172.497 172.497 174.444 -1.947 17551 11146 1 16 . 1 1 102 102 GLU CA C 102 53.879 53.879 54.617 -0.738 17551 11147 1 16 . 1 1 102 102 GLU H H 102 8.785 8.785 8.094 0.691 17551 11148 1 16 . 1 1 103 103 ILE N N 103 121.813 121.813 120.564 1.249 17551 11149 1 16 . 1 1 103 103 ILE HA H 103 5.129 5.129 5.165 -0.036 17551 11150 1 16 . 1 1 103 103 ILE C C 103 177.119 177.119 175.668 1.451 17551 11151 1 16 . 1 1 103 103 ILE CA C 103 56.631 56.631 59.547 -2.917 17551 11152 1 16 . 1 1 103 103 ILE CB C 103 34.564 34.564 37.992 -3.428 17551 11153 1 16 . 1 1 103 103 ILE H H 103 8.442 8.442 8.601 -0.159 17551 11154 1 16 . 1 1 104 104 SER N N 104 122.295 122.295 123.381 -1.086 17551 11155 1 16 . 1 1 104 104 SER HA H 104 4.783 4.783 4.607 0.176 17551 11156 1 16 . 1 1 104 104 SER CA C 104 55.521 55.521 57.955 -2.434 17551 11157 1 16 . 1 1 104 104 SER CB C 104 63.426 63.426 64.208 -0.782 17551 11158 1 16 . 1 1 104 104 SER H H 104 9.119 9.119 8.567 0.552 17551 11159 1 16 . 1 1 105 105 GLY C C 105 175.730 175.730 174.758 0.972 17551 11160 1 16 . 1 1 105 105 GLY CA C 105 46.925 46.925 44.730 2.195 17551 11161 1 16 . 1 1 106 106 GLY N N 106 105.123 105.123 105.813 -0.690 17551 11162 1 16 . 1 1 106 106 GLY C C 106 173.229 173.229 172.992 0.237 17551 11163 1 16 . 1 1 106 106 GLY CA C 106 44.771 44.771 45.209 -0.438 17551 11164 1 16 . 1 1 106 106 GLY H H 106 8.476 8.476 8.448 0.028 17551 11165 1 16 . 1 1 107 107 LYS N N 107 119.187 119.187 117.740 1.447 17551 11166 1 16 . 1 1 107 107 LYS HA H 107 4.856 4.856 4.688 0.168 17551 11167 1 16 . 1 1 107 107 LYS C C 107 174.072 174.072 174.135 -0.063 17551 11168 1 16 . 1 1 107 107 LYS CA C 107 54.240 54.240 54.807 -0.567 17551 11169 1 16 . 1 1 107 107 LYS CB C 107 34.508 34.508 36.247 -1.739 17551 11170 1 16 . 1 1 107 107 LYS H H 107 7.639 7.639 7.458 0.181 17551 11171 1 16 . 1 1 108 108 LEU N N 108 122.725 122.725 125.216 -2.491 17551 11172 1 16 . 1 1 108 108 LEU HA H 108 4.793 4.793 5.091 -0.298 17551 11173 1 16 . 1 1 108 108 LEU C C 108 174.906 174.906 174.607 0.299 17551 11174 1 16 . 1 1 108 108 LEU CA C 108 54.275 54.275 53.507 0.768 17551 11175 1 16 . 1 1 108 108 LEU CB C 108 42.801 42.801 42.874 -0.073 17551 11176 1 16 . 1 1 108 108 LEU H H 108 8.481 8.481 8.777 -0.296 17551 11177 1 16 . 1 1 109 109 VAL N N 109 130.844 130.844 128.344 2.500 17551 11178 1 16 . 1 1 109 109 VAL HA H 109 4.953 4.953 5.044 -0.091 17551 11179 1 16 . 1 1 109 109 VAL C C 109 176.004 176.004 174.156 1.848 17551 11180 1 16 . 1 1 109 109 VAL CA C 109 61.541 61.541 59.769 1.772 17551 11181 1 16 . 1 1 109 109 VAL CB C 109 32.721 32.721 34.203 -1.482 17551 11182 1 16 . 1 1 109 109 VAL H H 109 9.391 9.391 8.327 1.064 17551 11183 1 16 . 1 1 110 110 GLU N N 110 130.618 130.618 130.016 0.602 17551 11184 1 16 . 1 1 110 110 GLU HA H 110 5.393 5.393 5.172 0.221 17551 11185 1 16 . 1 1 110 110 GLU C C 110 175.537 175.537 175.490 0.047 17551 11186 1 16 . 1 1 110 110 GLU CA C 110 53.476 53.476 55.148 -1.672 17551 11187 1 16 . 1 1 110 110 GLU H H 110 9.386 9.386 8.776 0.610 17551 11188 1 16 . 1 1 111 111 ILE N N 111 126.952 126.952 127.045 -0.093 17551 11189 1 16 . 1 1 111 111 ILE HA H 111 4.910 4.910 4.671 0.239 17551 11190 1 16 . 1 1 111 111 ILE C C 111 175.156 175.156 174.794 0.362 17551 11191 1 16 . 1 1 111 111 ILE CA C 111 59.562 59.562 60.140 -0.578 17551 11192 1 16 . 1 1 111 111 ILE CB C 111 39.029 39.029 40.114 -1.085 17551 11193 1 16 . 1 1 111 111 ILE H H 111 8.912 8.912 8.971 -0.059 17551 11194 1 16 . 1 1 112 112 SER N N 112 125.389 125.389 124.993 0.396 17551 11195 1 16 . 1 1 112 112 SER HA H 112 5.524 5.524 5.429 0.095 17551 11196 1 16 . 1 1 112 112 SER C C 112 172.120 172.120 173.788 -1.668 17551 11197 1 16 . 1 1 112 112 SER CA C 112 55.756 55.756 55.990 -0.234 17551 11198 1 16 . 1 1 112 112 SER CB C 112 64.025 64.025 63.997 0.028 17551 11199 1 16 . 1 1 112 112 SER H H 112 9.495 9.495 9.037 0.458 17551 11200 1 16 . 1 1 113 113 THR N N 113 119.329 119.329 123.732 -4.403 17551 11201 1 16 . 1 1 113 113 THR HA H 113 5.633 5.633 5.338 0.295 17551 11202 1 16 . 1 1 113 113 THR C C 113 174.911 174.911 174.265 0.646 17551 11203 1 16 . 1 1 113 113 THR CA C 113 60.362 60.362 61.224 -0.862 17551 11204 1 16 . 1 1 113 113 THR CB C 113 70.377 70.377 69.919 0.458 17551 11205 1 16 . 1 1 113 113 THR H H 113 9.274 9.274 8.991 0.283 17551 11206 1 16 . 1 1 114 114 SER N N 114 121.027 121.027 122.619 -1.592 17551 11207 1 16 . 1 1 114 114 SER HA H 114 4.479 4.479 5.378 -0.899 17551 11208 1 16 . 1 1 114 114 SER C C 114 174.507 174.507 174.196 0.311 17551 11209 1 16 . 1 1 114 114 SER CA C 114 57.423 57.423 57.532 -0.109 17551 11210 1 16 . 1 1 114 114 SER CB C 114 64.798 64.798 64.638 0.160 17551 11211 1 16 . 1 1 114 114 SER H H 114 8.657 8.657 8.859 -0.202 17551 11212 1 16 . 1 1 115 115 SER N N 115 122.405 122.405 120.180 2.225 17551 11213 1 16 . 1 1 115 115 SER HA H 115 4.092 4.092 4.153 -0.061 17551 11214 1 16 . 1 1 115 115 SER C C 115 174.387 174.387 174.509 -0.122 17551 11215 1 16 . 1 1 115 115 SER CA C 115 58.417 58.417 59.554 -1.137 17551 11216 1 16 . 1 1 115 115 SER CB C 115 61.860 61.860 61.813 0.047 17551 11217 1 16 . 1 1 115 115 SER H H 115 9.265 9.265 8.995 0.270 17551 11218 1 16 . 1 1 116 116 GLY N N 116 103.741 103.741 104.874 -1.133 17551 11219 1 16 . 1 1 116 116 GLY C C 116 173.618 173.618 174.126 -0.508 17551 11220 1 16 . 1 1 116 116 GLY CA C 116 44.584 44.584 44.705 -0.121 17551 11221 1 16 . 1 1 116 116 GLY H H 116 8.730 8.730 8.309 0.421 17551 11222 1 16 . 1 1 117 117 VAL N N 117 123.819 123.819 125.004 -1.185 17551 11223 1 16 . 1 1 117 117 VAL HA H 117 4.242 4.242 3.959 0.283 17551 11224 1 16 . 1 1 117 117 VAL C C 117 173.712 173.712 175.545 -1.833 17551 11225 1 16 . 1 1 117 117 VAL CA C 117 61.946 61.946 63.290 -1.344 17551 11226 1 16 . 1 1 117 117 VAL CB C 117 32.244 32.244 32.001 0.243 17551 11227 1 16 . 1 1 117 117 VAL H H 117 8.177 8.177 7.667 0.510 17551 11228 1 16 . 1 1 118 118 VAL N N 118 127.074 127.074 128.646 -1.572 17551 11229 1 16 . 1 1 118 118 VAL HA H 118 4.519 4.519 4.192 0.327 17551 11230 1 16 . 1 1 118 118 VAL C C 118 174.793 174.793 174.860 -0.067 17551 11231 1 16 . 1 1 118 118 VAL CA C 118 61.227 61.227 61.881 -0.654 17551 11232 1 16 . 1 1 118 118 VAL CB C 118 32.503 32.503 31.456 1.047 17551 11233 1 16 . 1 1 118 118 VAL H H 118 8.441 8.441 8.448 -0.007 17551 11234 1 16 . 1 1 119 119 TYR N N 119 131.178 131.178 131.065 0.113 17551 11235 1 16 . 1 1 119 119 TYR HA H 119 5.095 5.095 4.700 0.395 17551 11236 1 16 . 1 1 119 119 TYR C C 119 173.029 173.029 173.985 -0.956 17551 11237 1 16 . 1 1 119 119 TYR CA C 119 54.862 54.862 56.371 -1.509 17551 11238 1 16 . 1 1 119 119 TYR CB C 119 40.213 40.213 38.980 1.233 17551 11239 1 16 . 1 1 119 119 TYR H H 119 9.315 9.315 9.101 0.214 17551 11240 1 16 . 1 1 120 120 LYS N N 120 126.654 126.654 129.256 -2.602 17551 11241 1 16 . 1 1 120 120 LYS HA H 120 4.922 4.922 5.017 -0.095 17551 11242 1 16 . 1 1 120 120 LYS C C 120 173.813 173.813 174.743 -0.930 17551 11243 1 16 . 1 1 120 120 LYS CA C 120 53.685 53.685 54.516 -0.831 17551 11244 1 16 . 1 1 120 120 LYS CB C 120 36.014 36.014 34.705 1.309 17551 11245 1 16 . 1 1 120 120 LYS H H 120 7.342 7.342 7.820 -0.478 17551 11246 1 16 . 1 1 121 121 ARG N N 121 124.124 124.124 124.234 -0.110 17551 11247 1 16 . 1 1 121 121 ARG HA H 121 4.798 4.798 5.058 -0.260 17551 11248 1 16 . 1 1 121 121 ARG C C 121 174.874 174.874 174.872 0.002 17551 11249 1 16 . 1 1 121 121 ARG CB C 121 34.257 34.257 32.370 1.887 17551 11250 1 16 . 1 1 121 121 ARG H H 121 9.087 9.087 8.888 0.199 17551 11251 1 16 . 1 1 122 122 THR N N 122 122.859 122.859 123.310 -0.451 17551 11252 1 16 . 1 1 122 122 THR HA H 122 5.224 5.224 5.199 0.025 17551 11253 1 16 . 1 1 122 122 THR C C 122 174.321 174.321 173.987 0.334 17551 11254 1 16 . 1 1 122 122 THR CA C 122 62.177 62.177 61.976 0.201 17551 11255 1 16 . 1 1 122 122 THR CB C 122 69.459 69.459 69.835 -0.376 17551 11256 1 16 . 1 1 122 122 THR H H 122 9.358 9.358 9.356 0.002 17551 11257 1 16 . 1 1 123 123 SER N N 123 123.389 123.389 123.243 0.146 17551 11258 1 16 . 1 1 123 123 SER HA H 123 5.196 5.196 5.490 -0.294 17551 11259 1 16 . 1 1 123 123 SER C C 123 172.464 172.464 173.670 -1.206 17551 11260 1 16 . 1 1 123 123 SER CA C 123 57.571 57.571 56.800 0.771 17551 11261 1 16 . 1 1 123 123 SER CB C 123 65.697 65.697 66.108 -0.411 17551 11262 1 16 . 1 1 123 123 SER H H 123 9.749 9.749 9.359 0.390 17551 11263 1 16 . 1 1 124 124 LYS N N 124 125.058 125.058 123.010 2.048 17551 11264 1 16 . 1 1 124 124 LYS HA H 124 4.681 4.681 4.506 0.175 17551 11265 1 16 . 1 1 124 124 LYS C C 124 175.141 175.141 175.811 -0.670 17551 11266 1 16 . 1 1 124 124 LYS CA C 124 54.444 54.444 55.747 -1.303 17551 11267 1 16 . 1 1 124 124 LYS CB C 124 33.492 33.492 33.685 -0.193 17551 11268 1 16 . 1 1 124 124 LYS H H 124 8.808 8.808 8.481 0.327 17551 11269 1 16 . 1 1 125 125 LYS N N 125 126.114 126.114 123.344 2.770 17551 11270 1 16 . 1 1 125 125 LYS HA H 125 4.367 4.367 4.889 -0.522 17551 11271 1 16 . 1 1 125 125 LYS C C 125 176.828 176.828 175.507 1.321 17551 11272 1 16 . 1 1 125 125 LYS CA C 125 56.752 56.752 55.278 1.474 17551 11273 1 16 . 1 1 125 125 LYS CB C 125 32.912 32.912 32.833 0.079 17551 11274 1 16 . 1 1 125 125 LYS H H 125 9.215 9.215 8.564 0.651 17551 11275 1 16 . 1 1 126 126 ILE N N 126 125.207 125.207 124.556 0.651 17551 11276 1 16 . 1 1 126 126 ILE HA H 126 4.302 4.302 4.542 -0.240 17551 11277 1 16 . 1 1 126 126 ILE C C 126 175.240 175.240 173.630 1.610 17551 11278 1 16 . 1 1 126 126 ILE CA C 126 60.067 60.067 59.830 0.237 17551 11279 1 16 . 1 1 126 126 ILE CB C 126 38.611 38.611 41.928 -3.317 17551 11280 1 16 . 1 1 126 126 ILE H H 126 8.777 8.777 8.686 0.091 17551 11281 1 17 . 1 1 2 2 PHE N N 2 114.421 114.421 118.190 -3.769 17551 11282 1 17 . 1 1 2 2 PHE HA H 2 4.205 4.205 4.803 -0.598 17551 11283 1 17 . 1 1 2 2 PHE C C 2 177.675 177.675 176.610 1.065 17551 11284 1 17 . 1 1 2 2 PHE CA C 2 59.748 59.748 57.696 2.052 17551 11285 1 17 . 1 1 2 2 PHE CB C 2 41.014 41.014 40.434 0.580 17551 11286 1 17 . 1 1 2 2 PHE H H 2 9.501 9.501 8.300 1.201 17551 11287 1 17 . 1 1 3 3 THR N N 3 118.304 118.304 115.658 2.646 17551 11288 1 17 . 1 1 3 3 THR HA H 3 4.021 4.021 4.454 -0.433 17551 11289 1 17 . 1 1 3 3 THR C C 3 173.811 173.811 175.083 -1.272 17551 11290 1 17 . 1 1 3 3 THR CA C 3 63.646 63.646 64.286 -0.640 17551 11291 1 17 . 1 1 3 3 THR CB C 3 69.230 69.230 69.081 0.149 17551 11292 1 17 . 1 1 3 3 THR H H 3 7.721 7.721 8.107 -0.386 17551 11293 1 17 . 1 1 4 4 GLY N N 4 113.320 113.320 112.840 0.480 17551 11294 1 17 . 1 1 4 4 GLY C C 4 169.382 169.382 172.057 -2.675 17551 11295 1 17 . 1 1 4 4 GLY CA C 4 44.343 44.343 44.647 -0.304 17551 11296 1 17 . 1 1 4 4 GLY H H 4 8.881 8.881 8.528 0.353 17551 11297 1 17 . 1 1 5 5 LYS N N 5 120.330 120.330 120.286 0.044 17551 11298 1 17 . 1 1 5 5 LYS HA H 5 5.255 5.255 5.089 0.166 17551 11299 1 17 . 1 1 5 5 LYS C C 5 174.306 174.306 174.775 -0.469 17551 11300 1 17 . 1 1 5 5 LYS CA C 5 54.232 54.232 54.665 -0.433 17551 11301 1 17 . 1 1 5 5 LYS CB C 5 35.137 35.137 34.906 0.231 17551 11302 1 17 . 1 1 5 5 LYS H H 5 7.914 7.914 7.870 0.044 17551 11303 1 17 . 1 1 6 6 TYR N N 6 122.260 122.260 122.464 -0.204 17551 11304 1 17 . 1 1 6 6 TYR HA H 6 5.617 5.617 5.822 -0.205 17551 11305 1 17 . 1 1 6 6 TYR C C 6 174.519 174.519 175.450 -0.931 17551 11306 1 17 . 1 1 6 6 TYR CA C 6 55.158 55.158 56.168 -1.010 17551 11307 1 17 . 1 1 6 6 TYR CB C 6 41.637 41.637 42.647 -1.010 17551 11308 1 17 . 1 1 6 6 TYR H H 6 9.736 9.736 8.915 0.821 17551 11309 1 17 . 1 1 7 7 GLU N N 7 122.025 122.025 120.812 1.213 17551 11310 1 17 . 1 1 7 7 GLU HA H 7 5.096 5.096 5.253 -0.157 17551 11311 1 17 . 1 1 7 7 GLU C C 7 174.888 174.888 175.529 -0.641 17551 11312 1 17 . 1 1 7 7 GLU CA C 7 53.988 53.988 53.810 0.178 17551 11313 1 17 . 1 1 7 7 GLU CB C 7 33.716 33.716 34.683 -0.967 17551 11314 1 17 . 1 1 7 7 GLU H H 7 9.461 9.461 8.632 0.829 17551 11315 1 17 . 1 1 8 8 PHE N N 8 126.529 126.529 124.932 1.597 17551 11316 1 17 . 1 1 8 8 PHE HA H 8 4.599 4.599 4.250 0.349 17551 11317 1 17 . 1 1 8 8 PHE C C 8 172.999 172.999 174.537 -1.538 17551 11318 1 17 . 1 1 8 8 PHE CA C 8 59.847 59.847 59.483 0.364 17551 11319 1 17 . 1 1 8 8 PHE CB C 8 40.687 40.687 38.779 1.908 17551 11320 1 17 . 1 1 8 8 PHE H H 8 7.986 7.986 8.717 -0.731 17551 11321 1 17 . 1 1 9 9 GLU N N 9 129.046 129.046 126.868 2.178 17551 11322 1 17 . 1 1 9 9 GLU HA H 9 4.306 4.306 4.310 -0.004 17551 11323 1 17 . 1 1 9 9 GLU C C 9 174.528 174.528 175.715 -1.187 17551 11324 1 17 . 1 1 9 9 GLU CA C 9 56.545 56.545 56.918 -0.373 17551 11325 1 17 . 1 1 9 9 GLU CB C 9 32.798 32.798 32.182 0.616 17551 11326 1 17 . 1 1 9 9 GLU H H 9 9.151 9.151 8.807 0.344 17551 11327 1 17 . 1 1 10 10 SER N N 10 111.041 111.041 113.416 -2.375 17551 11328 1 17 . 1 1 10 10 SER HA H 10 4.258 4.258 4.582 -0.324 17551 11329 1 17 . 1 1 10 10 SER C C 10 171.216 171.216 172.014 -0.798 17551 11330 1 17 . 1 1 10 10 SER CA C 10 57.930 57.930 57.422 0.508 17551 11331 1 17 . 1 1 10 10 SER CB C 10 64.720 64.720 66.385 -1.665 17551 11332 1 17 . 1 1 10 10 SER H H 10 7.612 7.612 7.865 -0.253 17551 11333 1 17 . 1 1 11 11 ASP N N 11 118.058 118.058 120.537 -2.479 17551 11334 1 17 . 1 1 11 11 ASP HA H 11 5.500 5.500 5.221 0.279 17551 11335 1 17 . 1 1 11 11 ASP C C 11 174.845 174.845 174.842 0.003 17551 11336 1 17 . 1 1 11 11 ASP CA C 11 51.633 51.633 53.569 -1.936 17551 11337 1 17 . 1 1 11 11 ASP H H 11 8.632 8.632 8.420 0.212 17551 11338 1 17 . 1 1 12 12 GLU N N 12 117.523 117.523 121.669 -4.146 17551 11339 1 17 . 1 1 12 12 GLU HA H 12 4.782 4.782 4.606 0.176 17551 11340 1 17 . 1 1 12 12 GLU C C 12 175.293 175.293 175.504 -0.211 17551 11341 1 17 . 1 1 12 12 GLU CB C 12 33.450 33.450 33.096 0.353 17551 11342 1 17 . 1 1 12 12 GLU H H 12 8.562 8.562 8.892 -0.330 17551 11343 1 17 . 1 1 13 13 ASN N N 13 118.877 118.877 122.143 -3.266 17551 11344 1 17 . 1 1 13 13 ASN HA H 13 4.742 4.742 4.476 0.266 17551 11345 1 17 . 1 1 13 13 ASN C C 13 175.303 175.303 175.048 0.255 17551 11346 1 17 . 1 1 13 13 ASN CA C 13 53.373 53.373 54.280 -0.907 17551 11347 1 17 . 1 1 13 13 ASN CB C 13 37.207 37.207 37.467 -0.260 17551 11348 1 17 . 1 1 13 13 ASN H H 13 9.110 9.110 9.096 0.014 17551 11349 1 17 . 1 1 14 14 TYR N N 14 118.061 118.061 120.554 -2.493 17551 11350 1 17 . 1 1 14 14 TYR HA H 14 4.015 4.015 4.482 -0.467 17551 11351 1 17 . 1 1 14 14 TYR C C 14 176.581 176.581 176.630 -0.049 17551 11352 1 17 . 1 1 14 14 TYR CA C 14 62.797 62.797 63.326 -0.529 17551 11353 1 17 . 1 1 14 14 TYR CB C 14 38.998 38.998 38.679 0.319 17551 11354 1 17 . 1 1 14 14 TYR H H 14 8.731 8.731 7.836 0.895 17551 11355 1 17 . 1 1 15 15 ASP N N 15 115.317 115.317 118.656 -3.339 17551 11356 1 17 . 1 1 15 15 ASP HA H 15 4.112 4.112 4.424 -0.312 17551 11357 1 17 . 1 1 15 15 ASP C C 15 178.333 178.333 178.175 0.158 17551 11358 1 17 . 1 1 15 15 ASP CA C 15 57.819 57.819 59.162 -1.343 17551 11359 1 17 . 1 1 15 15 ASP CB C 15 40.410 40.410 40.140 0.270 17551 11360 1 17 . 1 1 15 15 ASP H H 15 8.316 8.316 9.089 -0.773 17551 11361 1 17 . 1 1 16 16 ASP N N 16 117.774 117.774 119.809 -2.035 17551 11362 1 17 . 1 1 16 16 ASP HA H 16 4.392 4.392 4.378 0.014 17551 11363 1 17 . 1 1 16 16 ASP C C 16 178.597 178.597 178.103 0.494 17551 11364 1 17 . 1 1 16 16 ASP CA C 16 56.348 56.348 57.538 -1.190 17551 11365 1 17 . 1 1 16 16 ASP CB C 16 39.883 39.883 40.899 -1.016 17551 11366 1 17 . 1 1 16 16 ASP H H 16 8.449 8.449 8.258 0.191 17551 11367 1 17 . 1 1 17 17 PHE N N 17 120.363 120.363 120.949 -0.586 17551 11368 1 17 . 1 1 17 17 PHE HA H 17 4.068 4.068 4.152 -0.084 17551 11369 1 17 . 1 1 17 17 PHE C C 17 176.755 176.755 177.412 -0.657 17551 11370 1 17 . 1 1 17 17 PHE CA C 17 61.840 61.840 60.746 1.094 17551 11371 1 17 . 1 1 17 17 PHE CB C 17 39.794 39.794 39.262 0.532 17551 11372 1 17 . 1 1 17 17 PHE H H 17 7.931 7.931 7.748 0.183 17551 11373 1 17 . 1 1 18 18 VAL N N 18 110.180 110.180 116.156 -5.976 17551 11374 1 17 . 1 1 18 18 VAL HA H 18 3.595 3.595 3.225 0.370 17551 11375 1 17 . 1 1 18 18 VAL C C 18 178.434 178.434 177.753 0.681 17551 11376 1 17 . 1 1 18 18 VAL CA C 18 64.697 64.697 66.451 -1.754 17551 11377 1 17 . 1 1 18 18 VAL CB C 18 29.602 29.602 31.280 -1.678 17551 11378 1 17 . 1 1 18 18 VAL H H 18 8.294 8.294 8.472 -0.178 17551 11379 1 17 . 1 1 19 19 LYS N N 19 119.749 119.749 117.527 2.222 17551 11380 1 17 . 1 1 19 19 LYS HA H 19 4.108 4.108 4.118 -0.010 17551 11381 1 17 . 1 1 19 19 LYS C C 19 179.796 179.796 178.704 1.092 17551 11382 1 17 . 1 1 19 19 LYS CA C 19 58.320 58.320 57.927 0.393 17551 11383 1 17 . 1 1 19 19 LYS CB C 19 31.918 31.918 31.903 0.015 17551 11384 1 17 . 1 1 19 19 LYS H H 19 7.382 7.382 8.421 -1.039 17551 11385 1 17 . 1 1 20 20 LYS N N 20 121.187 121.187 120.019 1.168 17551 11386 1 17 . 1 1 20 20 LYS HA H 20 4.071 4.071 4.151 -0.080 17551 11387 1 17 . 1 1 20 20 LYS C C 20 179.071 179.071 178.497 0.574 17551 11388 1 17 . 1 1 20 20 LYS CA C 20 57.347 57.347 58.052 -0.705 17551 11389 1 17 . 1 1 20 20 LYS CB C 20 30.633 30.633 32.416 -1.783 17551 11390 1 17 . 1 1 20 20 LYS H H 20 7.718 7.718 7.303 0.415 17551 11391 1 17 . 1 1 21 21 ILE N N 21 109.363 109.363 112.054 -2.691 17551 11392 1 17 . 1 1 21 21 ILE HA H 21 4.212 4.212 3.940 0.272 17551 11393 1 17 . 1 1 21 21 ILE C C 21 176.366 176.366 176.161 0.205 17551 11394 1 17 . 1 1 21 21 ILE CA C 21 61.610 61.610 62.044 -0.434 17551 11395 1 17 . 1 1 21 21 ILE CB C 21 36.968 36.968 38.070 -1.102 17551 11396 1 17 . 1 1 21 21 ILE H H 21 7.591 7.591 7.571 0.020 17551 11397 1 17 . 1 1 22 22 GLY N N 22 107.961 107.961 108.178 -0.217 17551 11398 1 17 . 1 1 22 22 GLY C C 22 174.877 174.877 174.600 0.277 17551 11399 1 17 . 1 1 22 22 GLY CA C 22 45.510 45.510 44.660 0.850 17551 11400 1 17 . 1 1 22 22 GLY H H 22 7.260 7.260 7.387 -0.127 17551 11401 1 17 . 1 1 23 23 LEU N N 23 120.597 120.597 122.548 -1.951 17551 11402 1 17 . 1 1 23 23 LEU HA H 23 4.207 4.207 4.594 -0.387 17551 11403 1 17 . 1 1 23 23 LEU CA C 23 52.923 52.923 52.256 0.667 17551 11404 1 17 . 1 1 23 23 LEU CB C 23 42.241 42.241 42.514 -0.273 17551 11405 1 17 . 1 1 23 23 LEU H H 23 7.314 7.314 7.773 -0.459 17551 11406 1 17 . 1 1 24 24 PRO HA H 24 4.537 4.537 4.481 0.056 17551 11407 1 17 . 1 1 24 24 PRO C C 24 177.702 177.702 177.171 0.531 17551 11408 1 17 . 1 1 24 24 PRO CA C 24 61.891 61.891 62.307 -0.416 17551 11409 1 17 . 1 1 24 24 PRO CB C 24 32.260 32.260 32.711 -0.451 17551 11410 1 17 . 1 1 25 25 ALA N N 25 123.142 123.142 127.148 -4.006 17551 11411 1 17 . 1 1 25 25 ALA HA H 25 3.935 3.935 3.993 -0.058 17551 11412 1 17 . 1 1 25 25 ALA C C 25 179.461 179.461 179.407 0.054 17551 11413 1 17 . 1 1 25 25 ALA CA C 25 55.314 55.314 55.432 -0.118 17551 11414 1 17 . 1 1 25 25 ALA CB C 25 18.220 18.220 18.324 -0.104 17551 11415 1 17 . 1 1 25 25 ALA H H 25 8.738 8.738 8.701 0.037 17551 11416 1 17 . 1 1 26 26 ASP N N 26 115.440 115.440 117.258 -1.818 17551 11417 1 17 . 1 1 26 26 ASP HA H 26 4.379 4.379 4.417 -0.038 17551 11418 1 17 . 1 1 26 26 ASP C C 26 179.291 179.291 178.856 0.435 17551 11419 1 17 . 1 1 26 26 ASP CA C 26 56.015 56.015 57.450 -1.435 17551 11420 1 17 . 1 1 26 26 ASP CB C 26 38.136 38.136 40.277 -2.141 17551 11421 1 17 . 1 1 26 26 ASP H H 26 8.971 8.971 8.815 0.156 17551 11422 1 17 . 1 1 27 27 LYS N N 27 122.292 122.292 119.329 2.963 17551 11423 1 17 . 1 1 27 27 LYS HA H 27 4.160 4.160 4.329 -0.169 17551 11424 1 17 . 1 1 27 27 LYS C C 27 177.758 177.758 178.953 -1.195 17551 11425 1 17 . 1 1 27 27 LYS CA C 27 58.022 58.022 57.085 0.937 17551 11426 1 17 . 1 1 27 27 LYS CB C 27 31.334 31.334 32.593 -1.259 17551 11427 1 17 . 1 1 27 27 LYS H H 27 7.434 7.434 7.569 -0.135 17551 11428 1 17 . 1 1 28 28 ILE N N 28 119.737 119.737 121.742 -2.005 17551 11429 1 17 . 1 1 28 28 ILE HA H 28 3.586 3.586 3.850 -0.264 17551 11430 1 17 . 1 1 28 28 ILE C C 28 180.386 180.386 176.861 3.525 17551 11431 1 17 . 1 1 28 28 ILE CA C 28 65.027 65.027 65.528 -0.501 17551 11432 1 17 . 1 1 28 28 ILE CB C 28 37.002 37.002 38.249 -1.247 17551 11433 1 17 . 1 1 28 28 ILE H H 28 8.016 8.016 8.439 -0.423 17551 11434 1 17 . 1 1 29 29 GLU N N 29 117.216 117.216 115.582 1.634 17551 11435 1 17 . 1 1 29 29 GLU HA H 29 4.294 4.294 4.196 0.098 17551 11436 1 17 . 1 1 29 29 GLU C C 29 179.024 179.024 178.989 0.035 17551 11437 1 17 . 1 1 29 29 GLU CA C 29 58.139 58.139 57.998 0.141 17551 11438 1 17 . 1 1 29 29 GLU CB C 29 28.028 28.028 29.863 -1.835 17551 11439 1 17 . 1 1 29 29 GLU H H 29 7.755 7.755 8.006 -0.251 17551 11440 1 17 . 1 1 30 30 MET N N 30 119.183 119.183 120.173 -0.990 17551 11441 1 17 . 1 1 30 30 MET HA H 30 4.194 4.194 4.364 -0.170 17551 11442 1 17 . 1 1 30 30 MET C C 30 177.683 177.683 177.378 0.305 17551 11443 1 17 . 1 1 30 30 MET CA C 30 58.150 58.150 56.769 1.381 17551 11444 1 17 . 1 1 30 30 MET CB C 30 33.162 33.162 33.033 0.129 17551 11445 1 17 . 1 1 30 30 MET H H 30 7.659 7.659 7.597 0.062 17551 11446 1 17 . 1 1 31 31 GLY N N 31 102.603 102.603 105.307 -2.704 17551 11447 1 17 . 1 1 31 31 GLY C C 31 172.264 172.264 172.861 -0.597 17551 11448 1 17 . 1 1 31 31 GLY CA C 31 45.433 45.433 44.559 0.874 17551 11449 1 17 . 1 1 31 31 GLY H H 31 7.839 7.839 8.438 -0.599 17551 11450 1 17 . 1 1 32 32 ARG N N 32 121.453 121.453 119.730 1.723 17551 11451 1 17 . 1 1 32 32 ARG HA H 32 3.072 3.072 4.327 -1.255 17551 11452 1 17 . 1 1 32 32 ARG C C 32 175.932 175.932 175.366 0.566 17551 11453 1 17 . 1 1 32 32 ARG CA C 32 56.894 56.894 55.309 1.585 17551 11454 1 17 . 1 1 32 32 ARG CB C 32 29.004 29.004 31.344 -2.340 17551 11455 1 17 . 1 1 32 32 ARG H H 32 6.954 6.954 7.279 -0.325 17551 11456 1 17 . 1 1 33 33 ASN N N 33 127.905 127.905 116.847 11.058 17551 11457 1 17 . 1 1 33 33 ASN HA H 33 4.066 4.066 4.288 -0.222 17551 11458 1 17 . 1 1 33 33 ASN C C 33 173.939 173.939 174.430 -0.491 17551 11459 1 17 . 1 1 33 33 ASN CA C 33 53.539 53.539 54.200 -0.661 17551 11460 1 17 . 1 1 33 33 ASN CB C 33 37.017 37.017 37.151 -0.134 17551 11461 1 17 . 1 1 33 33 ASN H H 33 8.990 8.990 8.539 0.451 17551 11462 1 17 . 1 1 34 34 CYS N N 34 116.649 116.649 115.355 1.294 17551 11463 1 17 . 1 1 34 34 CYS HA H 34 4.018 4.018 4.686 -0.668 17551 11464 1 17 . 1 1 34 34 CYS C C 34 175.384 175.384 175.093 0.291 17551 11465 1 17 . 1 1 34 34 CYS CA C 34 57.216 57.216 57.229 -0.013 17551 11466 1 17 . 1 1 34 34 CYS CB C 34 27.200 27.200 30.335 -3.135 17551 11467 1 17 . 1 1 34 34 CYS H H 34 7.443 7.443 7.507 -0.064 17551 11468 1 17 . 1 1 35 35 LYS N N 35 130.727 130.727 121.800 8.927 17551 11469 1 17 . 1 1 35 35 LYS HA H 35 4.296 4.296 4.539 -0.243 17551 11470 1 17 . 1 1 35 35 LYS C C 35 175.272 175.272 175.457 -0.185 17551 11471 1 17 . 1 1 35 35 LYS CA C 35 55.577 55.577 55.959 -0.382 17551 11472 1 17 . 1 1 35 35 LYS CB C 35 29.487 29.487 31.500 -2.013 17551 11473 1 17 . 1 1 35 35 LYS H H 35 8.691 8.691 8.466 0.225 17551 11474 1 17 . 1 1 36 36 ILE N N 36 125.658 125.658 125.480 0.178 17551 11475 1 17 . 1 1 36 36 ILE HA H 36 4.010 4.010 4.622 -0.612 17551 11476 1 17 . 1 1 36 36 ILE C C 36 177.115 177.115 176.094 1.021 17551 11477 1 17 . 1 1 36 36 ILE CA C 36 62.608 62.608 58.508 4.100 17551 11478 1 17 . 1 1 36 36 ILE CB C 36 39.739 39.739 37.668 2.071 17551 11479 1 17 . 1 1 36 36 ILE H H 36 7.658 7.658 7.952 -0.294 17551 11480 1 17 . 1 1 37 37 VAL N N 37 130.730 130.730 128.966 1.764 17551 11481 1 17 . 1 1 37 37 VAL HA H 37 5.105 5.105 4.953 0.152 17551 11482 1 17 . 1 1 37 37 VAL C C 37 175.295 175.295 176.114 -0.819 17551 11483 1 17 . 1 1 37 37 VAL CA C 37 60.845 60.845 61.265 -0.420 17551 11484 1 17 . 1 1 37 37 VAL CB C 37 33.716 33.716 32.876 0.840 17551 11485 1 17 . 1 1 37 37 VAL H H 37 7.909 7.909 8.308 -0.399 17551 11486 1 17 . 1 1 38 38 THR N N 38 127.066 127.066 125.344 1.722 17551 11487 1 17 . 1 1 38 38 THR HA H 38 5.405 5.405 5.428 -0.023 17551 11488 1 17 . 1 1 38 38 THR C C 38 174.035 174.035 174.135 -0.100 17551 11489 1 17 . 1 1 38 38 THR CA C 38 61.303 61.303 61.193 0.110 17551 11490 1 17 . 1 1 38 38 THR CB C 38 70.474 70.474 69.416 1.058 17551 11491 1 17 . 1 1 38 38 THR H H 38 9.393 9.393 9.329 0.064 17551 11492 1 17 . 1 1 39 39 GLU N N 39 126.804 126.804 129.382 -2.578 17551 11493 1 17 . 1 1 39 39 GLU HA H 39 5.216 5.216 4.523 0.693 17551 11494 1 17 . 1 1 39 39 GLU C C 39 174.379 174.379 175.144 -0.765 17551 11495 1 17 . 1 1 39 39 GLU CA C 39 54.232 54.232 56.103 -1.871 17551 11496 1 17 . 1 1 39 39 GLU CB C 39 32.531 32.531 31.061 1.470 17551 11497 1 17 . 1 1 39 39 GLU H H 39 9.728 9.728 8.632 1.096 17551 11498 1 17 . 1 1 40 40 VAL N N 40 125.405 125.405 127.318 -1.913 17551 11499 1 17 . 1 1 40 40 VAL HA H 40 4.859 4.859 5.327 -0.468 17551 11500 1 17 . 1 1 40 40 VAL C C 40 176.139 176.139 175.249 0.890 17551 11501 1 17 . 1 1 40 40 VAL CA C 40 60.091 60.091 61.171 -1.080 17551 11502 1 17 . 1 1 40 40 VAL CB C 40 33.952 33.952 33.685 0.267 17551 11503 1 17 . 1 1 40 40 VAL H H 40 9.326 9.326 8.860 0.466 17551 11504 1 17 . 1 1 41 41 VAL N N 41 127.197 127.197 128.388 -1.191 17551 11505 1 17 . 1 1 41 41 VAL HA H 41 4.144 4.144 4.460 -0.316 17551 11506 1 17 . 1 1 41 41 VAL C C 41 173.604 173.604 174.186 -0.582 17551 11507 1 17 . 1 1 41 41 VAL CA C 41 62.522 62.522 60.461 2.061 17551 11508 1 17 . 1 1 41 41 VAL CB C 41 33.757 33.757 34.047 -0.290 17551 11509 1 17 . 1 1 41 41 VAL H H 41 8.811 8.811 8.735 0.076 17551 11510 1 17 . 1 1 42 42 GLN N N 42 130.317 130.317 127.824 2.493 17551 11511 1 17 . 1 1 42 42 GLN HA H 42 4.430 4.430 3.992 0.438 17551 11512 1 17 . 1 1 42 42 GLN C C 42 174.239 174.239 174.819 -0.580 17551 11513 1 17 . 1 1 42 42 GLN CA C 42 52.960 52.960 55.796 -2.836 17551 11514 1 17 . 1 1 42 42 GLN CB C 42 29.877 29.877 29.493 0.384 17551 11515 1 17 . 1 1 42 42 GLN H H 42 8.345 8.345 8.763 -0.418 17551 11516 1 17 . 1 1 43 43 ASN N N 43 125.513 125.513 127.188 -1.675 17551 11517 1 17 . 1 1 43 43 ASN HA H 43 4.826 4.826 4.850 -0.024 17551 11518 1 17 . 1 1 43 43 ASN C C 43 175.350 175.350 175.134 0.216 17551 11519 1 17 . 1 1 43 43 ASN CA C 43 51.303 51.303 51.889 -0.586 17551 11520 1 17 . 1 1 43 43 ASN CB C 43 39.051 39.051 38.754 0.297 17551 11521 1 17 . 1 1 43 43 ASN H H 43 8.772 8.772 8.330 0.442 17551 11522 1 17 . 1 1 44 44 GLY N N 44 115.694 115.694 111.882 3.812 17551 11523 1 17 . 1 1 44 44 GLY C C 44 173.199 173.199 174.895 -1.696 17551 11524 1 17 . 1 1 44 44 GLY CA C 44 46.964 46.964 46.720 0.244 17551 11525 1 17 . 1 1 44 44 GLY H H 44 9.187 9.187 8.479 0.708 17551 11526 1 17 . 1 1 45 45 ASN N N 45 125.520 125.520 123.318 2.202 17551 11527 1 17 . 1 1 45 45 ASN HA H 45 4.991 4.991 4.813 0.178 17551 11528 1 17 . 1 1 45 45 ASN C C 45 173.822 173.822 172.802 1.020 17551 11529 1 17 . 1 1 45 45 ASN CA C 45 52.215 52.215 52.362 -0.147 17551 11530 1 17 . 1 1 45 45 ASN CB C 45 38.700 38.700 40.343 -1.643 17551 11531 1 17 . 1 1 45 45 ASN H H 45 8.854 8.854 8.214 0.640 17551 11532 1 17 . 1 1 46 46 ASP N N 46 120.842 120.842 120.698 0.144 17551 11533 1 17 . 1 1 46 46 ASP HA H 46 5.185 5.185 5.133 0.052 17551 11534 1 17 . 1 1 46 46 ASP C C 46 174.705 174.705 174.315 0.390 17551 11535 1 17 . 1 1 46 46 ASP CA C 46 53.658 53.658 52.703 0.955 17551 11536 1 17 . 1 1 46 46 ASP CB C 46 41.025 41.025 41.580 -0.555 17551 11537 1 17 . 1 1 46 46 ASP H H 46 7.921 7.921 7.533 0.388 17551 11538 1 17 . 1 1 47 47 PHE N N 47 121.470 121.470 125.153 -3.683 17551 11539 1 17 . 1 1 47 47 PHE HA H 47 5.161 5.161 5.333 -0.172 17551 11540 1 17 . 1 1 47 47 PHE C C 47 177.125 177.125 175.712 1.413 17551 11541 1 17 . 1 1 47 47 PHE CA C 47 56.591 56.591 55.852 0.739 17551 11542 1 17 . 1 1 47 47 PHE CB C 47 44.035 44.035 41.852 2.183 17551 11543 1 17 . 1 1 47 47 PHE H H 47 9.263 9.263 8.385 0.878 17551 11544 1 17 . 1 1 48 48 THR N N 48 116.950 116.950 113.583 3.367 17551 11545 1 17 . 1 1 48 48 THR HA H 48 4.861 4.861 4.712 0.149 17551 11546 1 17 . 1 1 48 48 THR C C 48 172.499 172.499 173.923 -1.424 17551 11547 1 17 . 1 1 48 48 THR CA C 48 62.943 62.943 61.026 1.917 17551 11548 1 17 . 1 1 48 48 THR CB C 48 70.360 70.360 70.691 -0.331 17551 11549 1 17 . 1 1 48 48 THR H H 48 8.831 8.831 8.665 0.166 17551 11550 1 17 . 1 1 49 49 TRP N N 49 132.266 132.266 127.233 5.033 17551 11551 1 17 . 1 1 49 49 TRP HA H 49 4.955 4.955 5.185 -0.230 17551 11552 1 17 . 1 1 49 49 TRP C C 49 175.842 175.842 175.003 0.839 17551 11553 1 17 . 1 1 49 49 TRP CA C 49 57.286 57.286 56.070 1.216 17551 11554 1 17 . 1 1 49 49 TRP CB C 49 31.894 31.894 32.657 -0.763 17551 11555 1 17 . 1 1 49 49 TRP H H 49 9.914 9.914 9.526 0.388 17551 11556 1 17 . 1 1 50 50 THR N N 50 131.707 131.707 123.810 7.897 17551 11557 1 17 . 1 1 50 50 THR HA H 50 5.928 5.928 4.763 1.165 17551 11558 1 17 . 1 1 50 50 THR C C 50 173.408 173.408 173.468 -0.060 17551 11559 1 17 . 1 1 50 50 THR CA C 50 60.993 60.993 61.776 -0.783 17551 11560 1 17 . 1 1 50 50 THR CB C 50 70.957 70.957 70.048 0.909 17551 11561 1 17 . 1 1 50 50 THR H H 50 9.524 9.524 8.645 0.879 17551 11562 1 17 . 1 1 51 51 GLN N N 51 124.680 124.680 125.979 -1.299 17551 11563 1 17 . 1 1 51 51 GLN HA H 51 5.056 5.056 5.129 -0.073 17551 11564 1 17 . 1 1 51 51 GLN C C 51 175.328 175.328 174.812 0.516 17551 11565 1 17 . 1 1 51 51 GLN CA C 51 56.309 56.309 54.277 2.032 17551 11566 1 17 . 1 1 51 51 GLN CB C 51 29.046 29.046 30.778 -1.732 17551 11567 1 17 . 1 1 51 51 GLN H H 51 9.456 9.456 9.308 0.148 17551 11568 1 17 . 1 1 52 52 HIS N N 52 122.268 122.268 124.289 -2.021 17551 11569 1 17 . 1 1 52 52 HIS HA H 52 5.051 5.051 4.908 0.143 17551 11570 1 17 . 1 1 52 52 HIS C C 52 174.819 174.819 174.109 0.710 17551 11571 1 17 . 1 1 52 52 HIS CA C 52 54.039 54.039 55.164 -1.125 17551 11572 1 17 . 1 1 52 52 HIS CB C 52 29.432 29.432 31.948 -2.516 17551 11573 1 17 . 1 1 52 52 HIS H H 52 9.534 9.534 8.914 0.620 17551 11574 1 17 . 1 1 53 53 PHE N N 53 129.837 129.837 125.620 4.217 17551 11575 1 17 . 1 1 53 53 PHE HA H 53 4.584 4.584 4.944 -0.360 17551 11576 1 17 . 1 1 53 53 PHE CA C 53 56.312 56.312 53.459 2.853 17551 11577 1 17 . 1 1 53 53 PHE CB C 53 40.660 40.660 41.391 -0.731 17551 11578 1 17 . 1 1 53 53 PHE H H 53 8.641 8.641 8.698 -0.057 17551 11579 1 17 . 1 1 54 54 PRO HA H 54 4.291 4.291 4.376 -0.085 17551 11580 1 17 . 1 1 54 54 PRO C C 54 177.389 177.389 176.659 0.730 17551 11581 1 17 . 1 1 54 54 PRO CA C 54 63.569 63.569 63.530 0.039 17551 11582 1 17 . 1 1 54 54 PRO CB C 54 30.471 30.471 30.958 -0.487 17551 11583 1 17 . 1 1 55 55 GLY N N 55 113.867 113.867 113.343 0.524 17551 11584 1 17 . 1 1 55 55 GLY C C 55 175.164 175.164 174.027 1.137 17551 11585 1 17 . 1 1 55 55 GLY CA C 55 45.258 45.258 45.013 0.245 17551 11586 1 17 . 1 1 55 55 GLY H H 55 8.926 8.926 8.527 0.399 17551 11587 1 17 . 1 1 56 56 GLY N N 56 108.877 108.877 108.055 0.822 17551 11588 1 17 . 1 1 56 56 GLY C C 56 174.054 174.054 172.651 1.403 17551 11589 1 17 . 1 1 56 56 GLY CA C 56 44.534 44.534 44.811 -0.277 17551 11590 1 17 . 1 1 56 56 GLY H H 56 8.426 8.426 7.722 0.704 17551 11591 1 17 . 1 1 57 57 ARG N N 57 123.871 123.871 119.196 4.675 17551 11592 1 17 . 1 1 57 57 ARG HA H 57 4.483 4.483 4.537 -0.054 17551 11593 1 17 . 1 1 57 57 ARG C C 57 176.728 176.728 176.106 0.622 17551 11594 1 17 . 1 1 57 57 ARG CA C 57 56.217 56.217 55.926 0.291 17551 11595 1 17 . 1 1 57 57 ARG CB C 57 31.388 31.388 30.793 0.595 17551 11596 1 17 . 1 1 57 57 ARG H H 57 8.474 8.474 8.488 -0.014 17551 11597 1 17 . 1 1 58 58 THR N N 58 122.156 122.156 116.343 5.813 17551 11598 1 17 . 1 1 58 58 THR HA H 58 5.299 5.299 4.717 0.582 17551 11599 1 17 . 1 1 58 58 THR C C 58 174.092 174.092 174.598 -0.506 17551 11600 1 17 . 1 1 58 58 THR CA C 58 62.125 62.125 61.059 1.066 17551 11601 1 17 . 1 1 58 58 THR CB C 58 70.339 70.339 70.215 0.124 17551 11602 1 17 . 1 1 58 58 THR H H 58 8.818 8.818 8.367 0.451 17551 11603 1 17 . 1 1 59 59 THR N N 59 127.287 127.287 122.716 4.571 17551 11604 1 17 . 1 1 59 59 THR HA H 59 4.505 4.505 4.660 -0.155 17551 11605 1 17 . 1 1 59 59 THR C C 59 172.626 172.626 173.142 -0.516 17551 11606 1 17 . 1 1 59 59 THR CA C 59 62.163 62.163 61.814 0.349 17551 11607 1 17 . 1 1 59 59 THR CB C 59 70.565 70.565 71.221 -0.656 17551 11608 1 17 . 1 1 59 59 THR H H 59 9.281 9.281 8.827 0.454 17551 11609 1 17 . 1 1 60 60 THR N N 60 123.658 123.658 123.426 0.232 17551 11610 1 17 . 1 1 60 60 THR HA H 60 5.105 5.105 5.079 0.026 17551 11611 1 17 . 1 1 60 60 THR C C 60 172.453 172.453 173.393 -0.940 17551 11612 1 17 . 1 1 60 60 THR CA C 60 61.277 61.277 61.245 0.033 17551 11613 1 17 . 1 1 60 60 THR CB C 60 70.432 70.432 70.772 -0.341 17551 11614 1 17 . 1 1 60 60 THR H H 60 8.952 8.952 8.569 0.383 17551 11615 1 17 . 1 1 61 61 ASN N N 61 124.292 124.292 125.878 -1.586 17551 11616 1 17 . 1 1 61 61 ASN HA H 61 5.384 5.384 5.133 0.251 17551 11617 1 17 . 1 1 61 61 ASN C C 61 173.609 173.609 174.032 -0.423 17551 11618 1 17 . 1 1 61 61 ASN CA C 61 52.190 52.190 53.100 -0.910 17551 11619 1 17 . 1 1 61 61 ASN CB C 61 43.987 43.987 42.578 1.409 17551 11620 1 17 . 1 1 61 61 ASN H H 61 8.848 8.848 9.269 -0.421 17551 11621 1 17 . 1 1 62 62 SER N N 62 118.046 118.046 117.648 0.398 17551 11622 1 17 . 1 1 62 62 SER HA H 62 5.659 5.659 5.190 0.469 17551 11623 1 17 . 1 1 62 62 SER C C 62 172.545 172.545 173.858 -1.313 17551 11624 1 17 . 1 1 62 62 SER CA C 62 56.974 56.974 57.404 -0.430 17551 11625 1 17 . 1 1 62 62 SER CB C 62 64.719 64.719 64.580 0.139 17551 11626 1 17 . 1 1 62 62 SER H H 62 8.986 8.986 8.592 0.394 17551 11627 1 17 . 1 1 63 63 PHE N N 63 118.769 118.769 120.351 -1.582 17551 11628 1 17 . 1 1 63 63 PHE HA H 63 5.016 5.016 4.981 0.035 17551 11629 1 17 . 1 1 63 63 PHE C C 63 172.500 172.500 173.616 -1.116 17551 11630 1 17 . 1 1 63 63 PHE CA C 63 55.793 55.793 56.681 -0.888 17551 11631 1 17 . 1 1 63 63 PHE CB C 63 39.459 39.459 41.559 -2.100 17551 11632 1 17 . 1 1 63 63 PHE H H 63 8.514 8.514 8.750 -0.236 17551 11633 1 17 . 1 1 64 64 THR N N 64 120.318 120.318 118.805 1.513 17551 11634 1 17 . 1 1 64 64 THR HA H 64 5.617 5.617 4.818 0.799 17551 11635 1 17 . 1 1 64 64 THR C C 64 175.240 175.240 174.364 0.876 17551 11636 1 17 . 1 1 64 64 THR CA C 64 60.409 60.409 61.223 -0.814 17551 11637 1 17 . 1 1 64 64 THR CB C 64 71.213 71.213 70.138 1.075 17551 11638 1 17 . 1 1 64 64 THR H H 64 9.743 9.743 8.624 1.119 17551 11639 1 17 . 1 1 65 65 ILE N N 65 127.640 127.640 127.258 0.382 17551 11640 1 17 . 1 1 65 65 ILE HA H 65 4.089 4.089 3.928 0.161 17551 11641 1 17 . 1 1 65 65 ILE C C 65 176.477 176.477 177.442 -0.965 17551 11642 1 17 . 1 1 65 65 ILE CA C 65 59.299 59.299 61.422 -2.123 17551 11643 1 17 . 1 1 65 65 ILE CB C 65 35.445 35.445 36.328 -0.882 17551 11644 1 17 . 1 1 65 65 ILE H H 65 8.961 8.961 8.990 -0.029 17551 11645 1 17 . 1 1 66 66 ASP N N 66 117.361 117.361 125.214 -7.853 17551 11646 1 17 . 1 1 66 66 ASP HA H 66 4.080 4.080 4.206 -0.126 17551 11647 1 17 . 1 1 66 66 ASP C C 66 174.730 174.730 174.330 0.400 17551 11648 1 17 . 1 1 66 66 ASP CA C 66 57.150 57.150 55.755 1.395 17551 11649 1 17 . 1 1 66 66 ASP CB C 66 38.442 38.442 40.578 -2.136 17551 11650 1 17 . 1 1 66 66 ASP H H 66 9.264 9.264 9.363 -0.099 17551 11651 1 17 . 1 1 67 67 LYS N N 67 121.171 121.171 118.757 2.414 17551 11652 1 17 . 1 1 67 67 LYS HA H 67 4.805 4.805 4.594 0.211 17551 11653 1 17 . 1 1 67 67 LYS C C 67 175.115 175.115 174.208 0.907 17551 11654 1 17 . 1 1 67 67 LYS CA C 67 53.900 53.900 54.540 -0.640 17551 11655 1 17 . 1 1 67 67 LYS CB C 67 34.256 34.256 35.886 -1.630 17551 11656 1 17 . 1 1 67 67 LYS H H 67 8.185 8.185 7.726 0.459 17551 11657 1 17 . 1 1 68 68 GLU N N 68 130.373 130.373 125.742 4.631 17551 11658 1 17 . 1 1 68 68 GLU HA H 68 4.194 4.194 4.576 -0.382 17551 11659 1 17 . 1 1 68 68 GLU C C 68 175.449 175.449 175.442 0.007 17551 11660 1 17 . 1 1 68 68 GLU CA C 68 58.343 58.343 56.061 2.282 17551 11661 1 17 . 1 1 68 68 GLU H H 68 8.879 8.879 8.761 0.118 17551 11662 1 17 . 1 1 69 69 ALA N N 69 130.113 130.113 130.156 -0.043 17551 11663 1 17 . 1 1 69 69 ALA HA H 69 4.924 4.924 4.699 0.225 17551 11664 1 17 . 1 1 69 69 ALA C C 69 175.797 175.797 175.671 0.126 17551 11665 1 17 . 1 1 69 69 ALA CA C 69 50.151 50.151 50.682 -0.531 17551 11666 1 17 . 1 1 69 69 ALA CB C 69 22.239 22.239 22.937 -0.698 17551 11667 1 17 . 1 1 69 69 ALA H H 69 8.864 8.864 8.950 -0.086 17551 11668 1 17 . 1 1 70 70 ASP N N 70 120.889 120.889 124.854 -3.965 17551 11669 1 17 . 1 1 70 70 ASP HA H 70 4.852 4.852 4.648 0.204 17551 11670 1 17 . 1 1 70 70 ASP C C 70 175.541 175.541 175.295 0.246 17551 11671 1 17 . 1 1 70 70 ASP CA C 70 54.211 54.211 55.822 -1.611 17551 11672 1 17 . 1 1 70 70 ASP CB C 70 41.052 41.052 40.617 0.435 17551 11673 1 17 . 1 1 70 70 ASP H H 70 8.319 8.319 8.610 -0.291 17551 11674 1 17 . 1 1 71 71 MET N N 71 125.005 125.005 121.732 3.273 17551 11675 1 17 . 1 1 71 71 MET HA H 71 4.743 4.743 4.498 0.245 17551 11676 1 17 . 1 1 71 71 MET C C 71 174.047 174.047 173.687 0.360 17551 11677 1 17 . 1 1 71 71 MET CA C 71 54.265 54.265 54.220 0.045 17551 11678 1 17 . 1 1 71 71 MET CB C 71 39.844 39.844 36.546 3.298 17551 11679 1 17 . 1 1 71 71 MET H H 71 8.796 8.796 8.381 0.415 17551 11680 1 17 . 1 1 72 72 GLU N N 72 118.909 118.909 120.453 -1.544 17551 11681 1 17 . 1 1 72 72 GLU HA H 72 5.613 5.613 5.424 0.189 17551 11682 1 17 . 1 1 72 72 GLU C C 72 176.109 176.109 175.385 0.724 17551 11683 1 17 . 1 1 72 72 GLU CA C 72 53.790 53.790 54.183 -0.393 17551 11684 1 17 . 1 1 72 72 GLU CB C 72 33.986 33.986 33.668 0.318 17551 11685 1 17 . 1 1 72 72 GLU H H 72 9.225 9.225 8.196 1.029 17551 11686 1 17 . 1 1 73 73 THR N N 73 109.667 109.667 116.255 -6.588 17551 11687 1 17 . 1 1 73 73 THR HA H 73 4.538 4.538 4.743 -0.205 17551 11688 1 17 . 1 1 73 73 THR C C 73 176.660 176.660 175.624 1.036 17551 11689 1 17 . 1 1 73 73 THR CA C 73 59.666 59.666 60.351 -0.685 17551 11690 1 17 . 1 1 73 73 THR CB C 73 69.710 69.710 70.881 -1.171 17551 11691 1 17 . 1 1 73 73 THR H H 73 8.904 8.904 8.725 0.179 17551 11692 1 17 . 1 1 74 74 MET N N 74 117.519 117.519 119.600 -2.081 17551 11693 1 17 . 1 1 74 74 MET HA H 74 4.776 4.776 4.323 0.453 17551 11694 1 17 . 1 1 74 74 MET C C 74 176.641 176.641 176.531 0.110 17551 11695 1 17 . 1 1 74 74 MET CA C 74 58.631 58.631 57.178 1.453 17551 11696 1 17 . 1 1 74 74 MET H H 74 8.206 8.206 8.597 -0.391 17551 11697 1 17 . 1 1 75 75 GLY N N 75 103.810 103.810 103.964 -0.154 17551 11698 1 17 . 1 1 75 75 GLY C C 75 173.956 173.956 175.147 -1.191 17551 11699 1 17 . 1 1 75 75 GLY CA C 75 43.728 43.728 44.393 -0.665 17551 11700 1 17 . 1 1 75 75 GLY H H 75 8.067 8.067 7.521 0.546 17551 11701 1 17 . 1 1 76 76 GLY N N 76 108.498 108.498 109.303 -0.805 17551 11702 1 17 . 1 1 76 76 GLY C C 76 173.267 173.267 174.535 -1.268 17551 11703 1 17 . 1 1 76 76 GLY CA C 76 44.563 44.563 44.853 -0.290 17551 11704 1 17 . 1 1 76 76 GLY H H 76 7.702 7.702 7.634 0.068 17551 11705 1 17 . 1 1 77 77 ARG N N 77 121.161 121.161 120.858 0.303 17551 11706 1 17 . 1 1 77 77 ARG HA H 77 4.348 4.348 4.444 -0.096 17551 11707 1 17 . 1 1 77 77 ARG C C 77 176.083 176.083 175.328 0.755 17551 11708 1 17 . 1 1 77 77 ARG CA C 77 55.350 55.350 55.284 0.066 17551 11709 1 17 . 1 1 77 77 ARG CB C 77 30.904 30.904 31.357 -0.453 17551 11710 1 17 . 1 1 77 77 ARG H H 77 7.328 7.328 7.669 -0.341 17551 11711 1 17 . 1 1 78 78 LYS N N 78 126.790 126.790 125.484 1.306 17551 11712 1 17 . 1 1 78 78 LYS HA H 78 5.147 5.147 4.907 0.240 17551 11713 1 17 . 1 1 78 78 LYS C C 78 176.961 176.961 176.233 0.728 17551 11714 1 17 . 1 1 78 78 LYS CA C 78 55.487 55.487 56.057 -0.570 17551 11715 1 17 . 1 1 78 78 LYS CB C 78 32.769 32.769 33.212 -0.443 17551 11716 1 17 . 1 1 78 78 LYS H H 78 8.771 8.771 8.668 0.103 17551 11717 1 17 . 1 1 79 79 PHE N N 79 119.480 119.480 121.112 -1.632 17551 11718 1 17 . 1 1 79 79 PHE HA H 79 4.898 4.898 4.871 0.027 17551 11719 1 17 . 1 1 79 79 PHE C C 79 171.587 171.587 173.088 -1.501 17551 11720 1 17 . 1 1 79 79 PHE CA C 79 55.817 55.817 56.341 -0.524 17551 11721 1 17 . 1 1 79 79 PHE CB C 79 40.702 40.702 41.313 -0.611 17551 11722 1 17 . 1 1 79 79 PHE H H 79 8.794 8.794 8.831 -0.037 17551 11723 1 17 . 1 1 80 80 LYS N N 80 119.760 119.760 120.171 -0.411 17551 11724 1 17 . 1 1 80 80 LYS HA H 80 5.460 5.460 4.995 0.465 17551 11725 1 17 . 1 1 80 80 LYS C C 80 176.538 176.538 173.980 2.558 17551 11726 1 17 . 1 1 80 80 LYS CA C 80 53.988 53.988 54.998 -1.010 17551 11727 1 17 . 1 1 80 80 LYS CB C 80 35.754 35.754 36.389 -0.635 17551 11728 1 17 . 1 1 80 80 LYS H H 80 8.414 8.414 8.295 0.119 17551 11729 1 17 . 1 1 81 81 ALA N N 81 121.171 121.171 123.823 -2.652 17551 11730 1 17 . 1 1 81 81 ALA HA H 81 4.738 4.738 4.569 0.169 17551 11731 1 17 . 1 1 81 81 ALA C C 81 175.290 175.290 174.924 0.366 17551 11732 1 17 . 1 1 81 81 ALA CA C 81 51.262 51.262 51.445 -0.183 17551 11733 1 17 . 1 1 81 81 ALA CB C 81 22.568 22.568 21.870 0.698 17551 11734 1 17 . 1 1 81 81 ALA H H 81 8.525 8.525 8.795 -0.270 17551 11735 1 17 . 1 1 82 82 THR N N 82 117.970 117.970 116.622 1.348 17551 11736 1 17 . 1 1 82 82 THR HA H 82 4.292 4.292 4.874 -0.582 17551 11737 1 17 . 1 1 82 82 THR C C 82 172.556 172.556 174.098 -1.542 17551 11738 1 17 . 1 1 82 82 THR CA C 82 61.640 61.640 61.787 -0.147 17551 11739 1 17 . 1 1 82 82 THR CB C 82 68.485 68.485 69.363 -0.878 17551 11740 1 17 . 1 1 82 82 THR H H 82 8.448 8.448 8.469 -0.021 17551 11741 1 17 . 1 1 83 83 VAL N N 83 131.564 131.564 125.413 6.151 17551 11742 1 17 . 1 1 83 83 VAL HA H 83 3.784 3.784 4.757 -0.973 17551 11743 1 17 . 1 1 83 83 VAL C C 83 174.167 174.167 174.570 -0.403 17551 11744 1 17 . 1 1 83 83 VAL CA C 83 62.059 62.059 60.817 1.242 17551 11745 1 17 . 1 1 83 83 VAL CB C 83 31.076 31.076 33.995 -2.919 17551 11746 1 17 . 1 1 83 83 VAL H H 83 9.722 9.722 8.098 1.624 17551 11747 1 17 . 1 1 84 84 LYS N N 84 125.930 125.930 123.766 2.164 17551 11748 1 17 . 1 1 84 84 LYS HA H 84 4.851 4.851 4.849 0.002 17551 11749 1 17 . 1 1 84 84 LYS C C 84 175.025 175.025 174.318 0.707 17551 11750 1 17 . 1 1 84 84 LYS CA C 84 54.213 54.213 54.572 -0.359 17551 11751 1 17 . 1 1 84 84 LYS CB C 84 35.076 35.076 35.870 -0.794 17551 11752 1 17 . 1 1 84 84 LYS H H 84 8.541 8.541 9.028 -0.487 17551 11753 1 17 . 1 1 85 85 MET N N 85 119.366 119.366 121.023 -1.657 17551 11754 1 17 . 1 1 85 85 MET HA H 85 5.517 5.517 5.405 0.112 17551 11755 1 17 . 1 1 85 85 MET C C 85 175.698 175.698 175.213 0.485 17551 11756 1 17 . 1 1 85 85 MET CA C 85 54.256 54.256 54.311 -0.055 17551 11757 1 17 . 1 1 85 85 MET CB C 85 35.406 35.406 36.115 -0.709 17551 11758 1 17 . 1 1 85 85 MET H H 85 8.992 8.992 8.572 0.420 17551 11759 1 17 . 1 1 86 86 GLU N N 86 125.741 125.741 123.419 2.322 17551 11760 1 17 . 1 1 86 86 GLU HA H 86 4.654 4.654 4.593 0.061 17551 11761 1 17 . 1 1 86 86 GLU C C 86 177.223 177.223 176.323 0.900 17551 11762 1 17 . 1 1 86 86 GLU CA C 86 54.213 54.213 55.992 -1.779 17551 11763 1 17 . 1 1 86 86 GLU CB C 86 31.578 31.578 30.844 0.734 17551 11764 1 17 . 1 1 86 86 GLU H H 86 9.063 9.063 9.036 0.027 17551 11765 1 17 . 1 1 87 87 GLY N N 87 117.720 117.720 113.924 3.796 17551 11766 1 17 . 1 1 87 87 GLY C C 87 175.275 175.275 175.018 0.257 17551 11767 1 17 . 1 1 87 87 GLY CA C 87 46.902 46.902 44.782 2.120 17551 11768 1 17 . 1 1 87 87 GLY H H 87 9.300 9.300 9.069 0.231 17551 11769 1 17 . 1 1 88 88 GLY N N 88 109.070 109.070 105.694 3.376 17551 11770 1 17 . 1 1 88 88 GLY C C 88 172.863 172.863 172.951 -0.088 17551 11771 1 17 . 1 1 88 88 GLY CA C 88 44.853 44.853 45.179 -0.326 17551 11772 1 17 . 1 1 88 88 GLY H H 88 8.739 8.739 8.584 0.155 17551 11773 1 17 . 1 1 89 89 LYS N N 89 120.150 120.150 118.046 2.104 17551 11774 1 17 . 1 1 89 89 LYS HA H 89 5.113 5.113 5.065 0.048 17551 11775 1 17 . 1 1 89 89 LYS C C 89 175.487 175.487 175.405 0.082 17551 11776 1 17 . 1 1 89 89 LYS CA C 89 54.363 54.363 54.465 -0.102 17551 11777 1 17 . 1 1 89 89 LYS CB C 89 33.753 33.753 35.138 -1.385 17551 11778 1 17 . 1 1 89 89 LYS H H 89 7.853 7.853 7.489 0.364 17551 11779 1 17 . 1 1 90 90 ILE N N 90 124.537 124.537 125.713 -1.176 17551 11780 1 17 . 1 1 90 90 ILE HA H 90 4.489 4.489 4.407 0.082 17551 11781 1 17 . 1 1 90 90 ILE C C 90 175.679 175.679 175.109 0.570 17551 11782 1 17 . 1 1 90 90 ILE CA C 90 60.930 60.930 61.309 -0.379 17551 11783 1 17 . 1 1 90 90 ILE CB C 90 38.367 38.367 37.509 0.858 17551 11784 1 17 . 1 1 90 90 ILE H H 90 9.081 9.081 8.613 0.468 17551 11785 1 17 . 1 1 91 91 VAL N N 91 124.871 124.871 128.440 -3.569 17551 11786 1 17 . 1 1 91 91 VAL HA H 91 4.591 4.591 5.188 -0.597 17551 11787 1 17 . 1 1 91 91 VAL C C 91 173.890 173.890 173.433 0.457 17551 11788 1 17 . 1 1 91 91 VAL CA C 91 60.743 60.743 58.652 2.091 17551 11789 1 17 . 1 1 91 91 VAL CB C 91 35.279 35.279 35.493 -0.214 17551 11790 1 17 . 1 1 91 91 VAL H H 91 8.786 8.786 8.963 -0.177 17551 11791 1 17 . 1 1 92 92 ALA N N 92 129.590 129.590 130.516 -0.926 17551 11792 1 17 . 1 1 92 92 ALA HA H 92 4.563 4.563 4.684 -0.121 17551 11793 1 17 . 1 1 92 92 ALA C C 92 173.855 173.855 175.269 -1.414 17551 11794 1 17 . 1 1 92 92 ALA CA C 92 49.864 49.864 49.866 -0.002 17551 11795 1 17 . 1 1 92 92 ALA CB C 92 21.948 21.948 21.983 -0.035 17551 11796 1 17 . 1 1 92 92 ALA H H 92 9.228 9.228 8.958 0.270 17551 11797 1 17 . 1 1 93 93 ASP N N 93 121.654 121.654 123.074 -1.420 17551 11798 1 17 . 1 1 93 93 ASP HA H 93 5.342 5.342 4.656 0.686 17551 11799 1 17 . 1 1 93 93 ASP C C 93 173.521 173.521 174.607 -1.086 17551 11800 1 17 . 1 1 93 93 ASP CA C 93 53.658 53.658 54.163 -0.506 17551 11801 1 17 . 1 1 93 93 ASP CB C 93 44.462 44.462 41.773 2.688 17551 11802 1 17 . 1 1 93 93 ASP H H 93 8.326 8.326 7.978 0.348 17551 11803 1 17 . 1 1 94 94 PHE N N 94 122.296 122.296 123.577 -1.281 17551 11804 1 17 . 1 1 94 94 PHE HA H 94 5.024 5.024 4.834 0.190 17551 11805 1 17 . 1 1 94 94 PHE CA C 94 53.952 53.952 55.567 -1.615 17551 11806 1 17 . 1 1 94 94 PHE CB C 94 38.958 38.958 42.764 -3.806 17551 11807 1 17 . 1 1 94 94 PHE H H 94 8.776 8.776 7.901 0.875 17551 11808 1 17 . 1 1 95 95 PRO HA H 95 4.396 4.396 4.569 -0.173 17551 11809 1 17 . 1 1 95 95 PRO C C 95 177.375 177.375 176.943 0.432 17551 11810 1 17 . 1 1 95 95 PRO CA C 95 64.386 64.386 63.784 0.602 17551 11811 1 17 . 1 1 95 95 PRO CB C 95 30.432 30.432 31.323 -0.891 17551 11812 1 17 . 1 1 96 96 ASN N N 96 120.924 120.924 118.895 2.029 17551 11813 1 17 . 1 1 96 96 ASN HA H 96 4.619 4.619 4.325 0.294 17551 11814 1 17 . 1 1 96 96 ASN C C 96 174.189 174.189 173.312 0.877 17551 11815 1 17 . 1 1 96 96 ASN CA C 96 53.442 53.442 54.384 -0.942 17551 11816 1 17 . 1 1 96 96 ASN CB C 96 38.069 38.069 37.585 0.484 17551 11817 1 17 . 1 1 96 96 ASN H H 96 9.183 9.183 9.057 0.126 17551 11818 1 17 . 1 1 97 97 TYR N N 97 120.943 120.943 119.098 1.845 17551 11819 1 17 . 1 1 97 97 TYR HA H 97 4.804 4.804 5.625 -0.821 17551 11820 1 17 . 1 1 97 97 TYR C C 97 172.713 172.713 173.824 -1.111 17551 11821 1 17 . 1 1 97 97 TYR CA C 97 59.314 59.314 57.203 2.111 17551 11822 1 17 . 1 1 97 97 TYR CB C 97 40.512 40.512 41.705 -1.193 17551 11823 1 17 . 1 1 97 97 TYR H H 97 8.066 8.066 7.544 0.522 17551 11824 1 17 . 1 1 98 98 HIS N N 98 128.370 128.370 126.110 2.260 17551 11825 1 17 . 1 1 98 98 HIS HA H 98 5.466 5.466 5.208 0.258 17551 11826 1 17 . 1 1 98 98 HIS C C 98 172.821 172.821 173.630 -0.809 17551 11827 1 17 . 1 1 98 98 HIS CA C 98 54.311 54.311 54.804 -0.493 17551 11828 1 17 . 1 1 98 98 HIS CB C 98 31.053 31.053 32.162 -1.109 17551 11829 1 17 . 1 1 98 98 HIS H H 98 8.786 8.786 8.644 0.142 17551 11830 1 17 . 1 1 99 99 HIS N N 99 130.146 130.146 127.936 2.210 17551 11831 1 17 . 1 1 99 99 HIS HA H 99 5.689 5.689 5.879 -0.190 17551 11832 1 17 . 1 1 99 99 HIS C C 99 173.405 173.405 174.357 -0.952 17551 11833 1 17 . 1 1 99 99 HIS CA C 99 55.101 55.101 54.133 0.968 17551 11834 1 17 . 1 1 99 99 HIS CB C 99 34.888 34.888 31.746 3.142 17551 11835 1 17 . 1 1 99 99 HIS H H 99 8.963 8.963 8.474 0.489 17551 11836 1 17 . 1 1 100 100 THR N N 100 117.843 117.843 119.709 -1.866 17551 11837 1 17 . 1 1 100 100 THR HA H 100 5.597 5.597 5.455 0.142 17551 11838 1 17 . 1 1 100 100 THR C C 100 172.563 172.563 172.864 -0.301 17551 11839 1 17 . 1 1 100 100 THR CA C 100 57.863 57.863 59.651 -1.788 17551 11840 1 17 . 1 1 100 100 THR CB C 100 71.830 71.830 71.335 0.495 17551 11841 1 17 . 1 1 100 100 THR H H 100 8.871 8.871 8.682 0.189 17551 11842 1 17 . 1 1 101 101 ALA N N 101 121.591 121.591 127.405 -5.814 17551 11843 1 17 . 1 1 101 101 ALA HA H 101 5.318 5.318 5.211 0.107 17551 11844 1 17 . 1 1 101 101 ALA C C 101 175.540 175.540 175.660 -0.120 17551 11845 1 17 . 1 1 101 101 ALA CA C 101 50.320 50.320 50.153 0.167 17551 11846 1 17 . 1 1 101 101 ALA CB C 101 22.819 22.819 21.895 0.924 17551 11847 1 17 . 1 1 101 101 ALA H H 101 8.825 8.825 8.940 -0.115 17551 11848 1 17 . 1 1 102 102 GLU N N 102 118.491 118.491 120.570 -2.079 17551 11849 1 17 . 1 1 102 102 GLU HA H 102 5.194 5.194 4.965 0.229 17551 11850 1 17 . 1 1 102 102 GLU C C 102 172.497 172.497 174.194 -1.697 17551 11851 1 17 . 1 1 102 102 GLU CA C 102 53.879 53.879 54.668 -0.789 17551 11852 1 17 . 1 1 102 102 GLU H H 102 8.785 8.785 8.117 0.668 17551 11853 1 17 . 1 1 103 103 ILE N N 103 121.813 121.813 120.683 1.130 17551 11854 1 17 . 1 1 103 103 ILE HA H 103 5.129 5.129 5.047 0.082 17551 11855 1 17 . 1 1 103 103 ILE C C 103 177.119 177.119 175.724 1.395 17551 11856 1 17 . 1 1 103 103 ILE CA C 103 56.631 56.631 59.454 -2.823 17551 11857 1 17 . 1 1 103 103 ILE CB C 103 34.564 34.564 37.516 -2.952 17551 11858 1 17 . 1 1 103 103 ILE H H 103 8.442 8.442 8.552 -0.110 17551 11859 1 17 . 1 1 104 104 SER N N 104 122.295 122.295 124.058 -1.763 17551 11860 1 17 . 1 1 104 104 SER HA H 104 4.783 4.783 4.652 0.131 17551 11861 1 17 . 1 1 104 104 SER CA C 104 55.521 55.521 57.110 -1.589 17551 11862 1 17 . 1 1 104 104 SER CB C 104 63.426 63.426 63.432 -0.006 17551 11863 1 17 . 1 1 104 104 SER H H 104 9.119 9.119 8.920 0.199 17551 11864 1 17 . 1 1 105 105 GLY C C 105 175.730 175.730 175.016 0.714 17551 11865 1 17 . 1 1 105 105 GLY CA C 105 46.925 46.925 44.869 2.056 17551 11866 1 17 . 1 1 106 106 GLY N N 106 105.123 105.123 105.566 -0.443 17551 11867 1 17 . 1 1 106 106 GLY C C 106 173.229 173.229 173.807 -0.578 17551 11868 1 17 . 1 1 106 106 GLY CA C 106 44.771 44.771 45.133 -0.362 17551 11869 1 17 . 1 1 106 106 GLY H H 106 8.476 8.476 8.326 0.150 17551 11870 1 17 . 1 1 107 107 LYS N N 107 119.187 119.187 117.707 1.480 17551 11871 1 17 . 1 1 107 107 LYS HA H 107 4.856 4.856 4.691 0.165 17551 11872 1 17 . 1 1 107 107 LYS C C 107 174.072 174.072 174.247 -0.175 17551 11873 1 17 . 1 1 107 107 LYS CA C 107 54.240 54.240 54.766 -0.526 17551 11874 1 17 . 1 1 107 107 LYS CB C 107 34.508 34.508 36.104 -1.596 17551 11875 1 17 . 1 1 107 107 LYS H H 107 7.639 7.639 7.354 0.285 17551 11876 1 17 . 1 1 108 108 LEU N N 108 122.725 122.725 125.273 -2.548 17551 11877 1 17 . 1 1 108 108 LEU HA H 108 4.793 4.793 5.076 -0.283 17551 11878 1 17 . 1 1 108 108 LEU C C 108 174.906 174.906 174.811 0.095 17551 11879 1 17 . 1 1 108 108 LEU CA C 108 54.275 54.275 53.563 0.712 17551 11880 1 17 . 1 1 108 108 LEU CB C 108 42.801 42.801 42.447 0.354 17551 11881 1 17 . 1 1 108 108 LEU H H 108 8.481 8.481 8.756 -0.275 17551 11882 1 17 . 1 1 109 109 VAL N N 109 130.844 130.844 128.104 2.740 17551 11883 1 17 . 1 1 109 109 VAL HA H 109 4.953 4.953 4.994 -0.041 17551 11884 1 17 . 1 1 109 109 VAL C C 109 176.004 176.004 174.293 1.711 17551 11885 1 17 . 1 1 109 109 VAL CA C 109 61.541 61.541 59.310 2.231 17551 11886 1 17 . 1 1 109 109 VAL CB C 109 32.721 32.721 33.767 -1.046 17551 11887 1 17 . 1 1 109 109 VAL H H 109 9.391 9.391 8.525 0.866 17551 11888 1 17 . 1 1 110 110 GLU N N 110 130.618 130.618 129.876 0.742 17551 11889 1 17 . 1 1 110 110 GLU HA H 110 5.393 5.393 5.139 0.254 17551 11890 1 17 . 1 1 110 110 GLU C C 110 175.537 175.537 175.371 0.166 17551 11891 1 17 . 1 1 110 110 GLU CA C 110 53.476 53.476 55.020 -1.544 17551 11892 1 17 . 1 1 110 110 GLU H H 110 9.386 9.386 8.515 0.871 17551 11893 1 17 . 1 1 111 111 ILE N N 111 126.952 126.952 125.798 1.154 17551 11894 1 17 . 1 1 111 111 ILE HA H 111 4.910 4.910 4.932 -0.022 17551 11895 1 17 . 1 1 111 111 ILE C C 111 175.156 175.156 174.876 0.280 17551 11896 1 17 . 1 1 111 111 ILE CA C 111 59.562 59.562 59.757 -0.195 17551 11897 1 17 . 1 1 111 111 ILE CB C 111 39.029 39.029 40.753 -1.724 17551 11898 1 17 . 1 1 111 111 ILE H H 111 8.912 8.912 8.834 0.078 17551 11899 1 17 . 1 1 112 112 SER N N 112 125.389 125.389 124.171 1.218 17551 11900 1 17 . 1 1 112 112 SER HA H 112 5.524 5.524 5.376 0.148 17551 11901 1 17 . 1 1 112 112 SER C C 112 172.120 172.120 173.777 -1.657 17551 11902 1 17 . 1 1 112 112 SER CA C 112 55.756 55.756 56.661 -0.905 17551 11903 1 17 . 1 1 112 112 SER CB C 112 64.025 64.025 64.326 -0.301 17551 11904 1 17 . 1 1 112 112 SER H H 112 9.495 9.495 9.107 0.388 17551 11905 1 17 . 1 1 113 113 THR N N 113 119.329 119.329 123.031 -3.702 17551 11906 1 17 . 1 1 113 113 THR HA H 113 5.633 5.633 5.339 0.294 17551 11907 1 17 . 1 1 113 113 THR C C 113 174.911 174.911 174.069 0.842 17551 11908 1 17 . 1 1 113 113 THR CA C 113 60.362 60.362 61.251 -0.889 17551 11909 1 17 . 1 1 113 113 THR CB C 113 70.377 70.377 69.682 0.695 17551 11910 1 17 . 1 1 113 113 THR H H 113 9.274 9.274 8.932 0.342 17551 11911 1 17 . 1 1 114 114 SER N N 114 121.027 121.027 121.926 -0.899 17551 11912 1 17 . 1 1 114 114 SER HA H 114 4.479 4.479 5.523 -1.044 17551 11913 1 17 . 1 1 114 114 SER C C 114 174.507 174.507 174.706 -0.199 17551 11914 1 17 . 1 1 114 114 SER CA C 114 57.423 57.423 56.770 0.653 17551 11915 1 17 . 1 1 114 114 SER CB C 114 64.798 64.798 65.010 -0.212 17551 11916 1 17 . 1 1 114 114 SER H H 114 8.657 8.657 8.808 -0.151 17551 11917 1 17 . 1 1 115 115 SER N N 115 122.405 122.405 122.450 -0.045 17551 11918 1 17 . 1 1 115 115 SER HA H 115 4.092 4.092 4.117 -0.025 17551 11919 1 17 . 1 1 115 115 SER C C 115 174.387 174.387 174.894 -0.507 17551 11920 1 17 . 1 1 115 115 SER CA C 115 58.417 58.417 59.542 -1.125 17551 11921 1 17 . 1 1 115 115 SER CB C 115 61.860 61.860 61.250 0.610 17551 11922 1 17 . 1 1 115 115 SER H H 115 9.265 9.265 9.176 0.089 17551 11923 1 17 . 1 1 116 116 GLY N N 116 103.741 103.741 105.228 -1.487 17551 11924 1 17 . 1 1 116 116 GLY C C 116 173.618 173.618 174.264 -0.646 17551 11925 1 17 . 1 1 116 116 GLY CA C 116 44.584 44.584 44.971 -0.387 17551 11926 1 17 . 1 1 116 116 GLY H H 116 8.730 8.730 8.499 0.231 17551 11927 1 17 . 1 1 117 117 VAL N N 117 123.819 123.819 125.706 -1.887 17551 11928 1 17 . 1 1 117 117 VAL HA H 117 4.242 4.242 3.893 0.349 17551 11929 1 17 . 1 1 117 117 VAL C C 117 173.712 173.712 175.285 -1.573 17551 11930 1 17 . 1 1 117 117 VAL CA C 117 61.946 61.946 63.557 -1.611 17551 11931 1 17 . 1 1 117 117 VAL CB C 117 32.244 32.244 31.512 0.732 17551 11932 1 17 . 1 1 117 117 VAL H H 117 8.177 8.177 7.696 0.481 17551 11933 1 17 . 1 1 118 118 VAL N N 118 127.074 127.074 129.225 -2.151 17551 11934 1 17 . 1 1 118 118 VAL HA H 118 4.519 4.519 4.057 0.462 17551 11935 1 17 . 1 1 118 118 VAL C C 118 174.793 174.793 174.814 -0.021 17551 11936 1 17 . 1 1 118 118 VAL CA C 118 61.227 61.227 61.605 -0.378 17551 11937 1 17 . 1 1 118 118 VAL CB C 118 32.503 32.503 31.207 1.296 17551 11938 1 17 . 1 1 118 118 VAL H H 118 8.441 8.441 8.441 -0.000 17551 11939 1 17 . 1 1 119 119 TYR N N 119 131.178 131.178 130.742 0.436 17551 11940 1 17 . 1 1 119 119 TYR HA H 119 5.095 5.095 4.721 0.374 17551 11941 1 17 . 1 1 119 119 TYR C C 119 173.029 173.029 174.018 -0.989 17551 11942 1 17 . 1 1 119 119 TYR CA C 119 54.862 54.862 56.705 -1.843 17551 11943 1 17 . 1 1 119 119 TYR CB C 119 40.213 40.213 40.953 -0.740 17551 11944 1 17 . 1 1 119 119 TYR H H 119 9.315 9.315 9.054 0.261 17551 11945 1 17 . 1 1 120 120 LYS N N 120 126.654 126.654 127.312 -0.658 17551 11946 1 17 . 1 1 120 120 LYS HA H 120 4.922 4.922 5.148 -0.226 17551 11947 1 17 . 1 1 120 120 LYS C C 120 173.813 173.813 174.336 -0.523 17551 11948 1 17 . 1 1 120 120 LYS CA C 120 53.685 53.685 54.349 -0.664 17551 11949 1 17 . 1 1 120 120 LYS CB C 120 36.014 36.014 36.272 -0.258 17551 11950 1 17 . 1 1 120 120 LYS H H 120 7.342 7.342 8.395 -1.053 17551 11951 1 17 . 1 1 121 121 ARG N N 121 124.124 124.124 122.788 1.336 17551 11952 1 17 . 1 1 121 121 ARG HA H 121 4.798 4.798 5.007 -0.209 17551 11953 1 17 . 1 1 121 121 ARG C C 121 174.874 174.874 174.618 0.256 17551 11954 1 17 . 1 1 121 121 ARG CB C 121 34.257 34.257 32.870 1.387 17551 11955 1 17 . 1 1 121 121 ARG H H 121 9.087 9.087 8.693 0.394 17551 11956 1 17 . 1 1 122 122 THR N N 122 122.859 122.859 122.708 0.151 17551 11957 1 17 . 1 1 122 122 THR HA H 122 5.224 5.224 5.220 0.004 17551 11958 1 17 . 1 1 122 122 THR C C 122 174.321 174.321 174.419 -0.098 17551 11959 1 17 . 1 1 122 122 THR CA C 122 62.177 62.177 62.086 0.091 17551 11960 1 17 . 1 1 122 122 THR CB C 122 69.459 69.459 70.145 -0.686 17551 11961 1 17 . 1 1 122 122 THR H H 122 9.358 9.358 9.022 0.336 17551 11962 1 17 . 1 1 123 123 SER N N 123 123.389 123.389 122.957 0.432 17551 11963 1 17 . 1 1 123 123 SER HA H 123 5.196 5.196 5.432 -0.236 17551 11964 1 17 . 1 1 123 123 SER C C 123 172.464 172.464 173.502 -1.038 17551 11965 1 17 . 1 1 123 123 SER CA C 123 57.571 57.571 57.436 0.135 17551 11966 1 17 . 1 1 123 123 SER CB C 123 65.697 65.697 66.456 -0.759 17551 11967 1 17 . 1 1 123 123 SER H H 123 9.749 9.749 9.369 0.380 17551 11968 1 17 . 1 1 124 124 LYS N N 124 125.058 125.058 123.506 1.552 17551 11969 1 17 . 1 1 124 124 LYS HA H 124 4.681 4.681 4.494 0.187 17551 11970 1 17 . 1 1 124 124 LYS C C 124 175.141 175.141 175.659 -0.518 17551 11971 1 17 . 1 1 124 124 LYS CA C 124 54.444 54.444 55.784 -1.340 17551 11972 1 17 . 1 1 124 124 LYS CB C 124 33.492 33.492 33.768 -0.276 17551 11973 1 17 . 1 1 124 124 LYS H H 124 8.808 8.808 8.398 0.410 17551 11974 1 17 . 1 1 125 125 LYS N N 125 126.114 126.114 123.564 2.550 17551 11975 1 17 . 1 1 125 125 LYS HA H 125 4.367 4.367 4.730 -0.363 17551 11976 1 17 . 1 1 125 125 LYS C C 125 176.828 176.828 175.465 1.363 17551 11977 1 17 . 1 1 125 125 LYS CA C 125 56.752 56.752 54.921 1.831 17551 11978 1 17 . 1 1 125 125 LYS CB C 125 32.912 32.912 32.681 0.231 17551 11979 1 17 . 1 1 125 125 LYS H H 125 9.215 9.215 8.566 0.649 17551 11980 1 17 . 1 1 126 126 ILE N N 126 125.207 125.207 125.195 0.012 17551 11981 1 17 . 1 1 126 126 ILE HA H 126 4.302 4.302 4.582 -0.280 17551 11982 1 17 . 1 1 126 126 ILE C C 126 175.240 175.240 173.717 1.523 17551 11983 1 17 . 1 1 126 126 ILE CA C 126 60.067 60.067 59.690 0.377 17551 11984 1 17 . 1 1 126 126 ILE CB C 126 38.611 38.611 41.592 -2.981 17551 11985 1 17 . 1 1 126 126 ILE H H 126 8.777 8.777 8.598 0.179 17551 11986 1 18 . 1 1 2 2 PHE N N 2 114.421 114.421 119.186 -4.765 17551 11987 1 18 . 1 1 2 2 PHE HA H 2 4.205 4.205 4.706 -0.501 17551 11988 1 18 . 1 1 2 2 PHE C C 2 177.675 177.675 176.909 0.766 17551 11989 1 18 . 1 1 2 2 PHE CA C 2 59.748 59.748 58.495 1.253 17551 11990 1 18 . 1 1 2 2 PHE CB C 2 41.014 41.014 39.868 1.146 17551 11991 1 18 . 1 1 2 2 PHE H H 2 9.501 9.501 8.368 1.133 17551 11992 1 18 . 1 1 3 3 THR N N 3 118.304 118.304 115.698 2.606 17551 11993 1 18 . 1 1 3 3 THR HA H 3 4.021 4.021 4.450 -0.429 17551 11994 1 18 . 1 1 3 3 THR C C 3 173.811 173.811 174.847 -1.036 17551 11995 1 18 . 1 1 3 3 THR CA C 3 63.646 63.646 64.098 -0.452 17551 11996 1 18 . 1 1 3 3 THR CB C 3 69.230 69.230 69.185 0.045 17551 11997 1 18 . 1 1 3 3 THR H H 3 7.721 7.721 8.019 -0.298 17551 11998 1 18 . 1 1 4 4 GLY N N 4 113.320 113.320 111.895 1.425 17551 11999 1 18 . 1 1 4 4 GLY C C 4 169.382 169.382 171.718 -2.336 17551 12000 1 18 . 1 1 4 4 GLY CA C 4 44.343 44.343 44.567 -0.224 17551 12001 1 18 . 1 1 4 4 GLY H H 4 8.881 8.881 8.640 0.241 17551 12002 1 18 . 1 1 5 5 LYS N N 5 120.330 120.330 120.416 -0.086 17551 12003 1 18 . 1 1 5 5 LYS HA H 5 5.255 5.255 5.426 -0.171 17551 12004 1 18 . 1 1 5 5 LYS C C 5 174.306 174.306 174.824 -0.518 17551 12005 1 18 . 1 1 5 5 LYS CA C 5 54.232 54.232 54.162 0.070 17551 12006 1 18 . 1 1 5 5 LYS CB C 5 35.137 35.137 35.343 -0.206 17551 12007 1 18 . 1 1 5 5 LYS H H 5 7.914 7.914 8.050 -0.136 17551 12008 1 18 . 1 1 6 6 TYR N N 6 122.260 122.260 122.723 -0.463 17551 12009 1 18 . 1 1 6 6 TYR HA H 6 5.617 5.617 5.751 -0.134 17551 12010 1 18 . 1 1 6 6 TYR C C 6 174.519 174.519 175.533 -1.014 17551 12011 1 18 . 1 1 6 6 TYR CA C 6 55.158 55.158 56.171 -1.013 17551 12012 1 18 . 1 1 6 6 TYR CB C 6 41.637 41.637 42.429 -0.792 17551 12013 1 18 . 1 1 6 6 TYR H H 6 9.736 9.736 8.841 0.895 17551 12014 1 18 . 1 1 7 7 GLU N N 7 122.025 122.025 121.428 0.597 17551 12015 1 18 . 1 1 7 7 GLU HA H 7 5.096 5.096 5.470 -0.374 17551 12016 1 18 . 1 1 7 7 GLU C C 7 174.888 174.888 175.837 -0.949 17551 12017 1 18 . 1 1 7 7 GLU CA C 7 53.988 53.988 53.833 0.155 17551 12018 1 18 . 1 1 7 7 GLU CB C 7 33.716 33.716 34.292 -0.576 17551 12019 1 18 . 1 1 7 7 GLU H H 7 9.461 9.461 8.591 0.870 17551 12020 1 18 . 1 1 8 8 PHE N N 8 126.529 126.529 124.099 2.430 17551 12021 1 18 . 1 1 8 8 PHE HA H 8 4.599 4.599 4.304 0.295 17551 12022 1 18 . 1 1 8 8 PHE C C 8 172.999 172.999 175.572 -2.573 17551 12023 1 18 . 1 1 8 8 PHE CA C 8 59.847 59.847 61.134 -1.287 17551 12024 1 18 . 1 1 8 8 PHE CB C 8 40.687 40.687 39.572 1.115 17551 12025 1 18 . 1 1 8 8 PHE H H 8 7.986 7.986 8.652 -0.666 17551 12026 1 18 . 1 1 9 9 GLU N N 9 129.046 129.046 127.021 2.025 17551 12027 1 18 . 1 1 9 9 GLU HA H 9 4.306 4.306 4.713 -0.407 17551 12028 1 18 . 1 1 9 9 GLU C C 9 174.528 174.528 176.036 -1.508 17551 12029 1 18 . 1 1 9 9 GLU CA C 9 56.545 56.545 57.032 -0.487 17551 12030 1 18 . 1 1 9 9 GLU CB C 9 32.798 32.798 32.581 0.217 17551 12031 1 18 . 1 1 9 9 GLU H H 9 9.151 9.151 8.763 0.388 17551 12032 1 18 . 1 1 10 10 SER N N 10 111.041 111.041 114.023 -2.982 17551 12033 1 18 . 1 1 10 10 SER HA H 10 4.258 4.258 5.004 -0.746 17551 12034 1 18 . 1 1 10 10 SER C C 10 171.216 171.216 172.061 -0.845 17551 12035 1 18 . 1 1 10 10 SER CA C 10 57.930 57.930 57.721 0.209 17551 12036 1 18 . 1 1 10 10 SER CB C 10 64.720 64.720 66.215 -1.495 17551 12037 1 18 . 1 1 10 10 SER H H 10 7.612 7.612 8.074 -0.462 17551 12038 1 18 . 1 1 11 11 ASP N N 11 118.058 118.058 118.886 -0.828 17551 12039 1 18 . 1 1 11 11 ASP HA H 11 5.500 5.500 5.058 0.442 17551 12040 1 18 . 1 1 11 11 ASP C C 11 174.845 174.845 174.730 0.115 17551 12041 1 18 . 1 1 11 11 ASP CA C 11 51.633 51.633 53.430 -1.797 17551 12042 1 18 . 1 1 11 11 ASP H H 11 8.632 8.632 8.398 0.234 17551 12043 1 18 . 1 1 12 12 GLU N N 12 117.523 117.523 119.662 -2.139 17551 12044 1 18 . 1 1 12 12 GLU HA H 12 4.782 4.782 4.623 0.159 17551 12045 1 18 . 1 1 12 12 GLU C C 12 175.293 175.293 175.870 -0.577 17551 12046 1 18 . 1 1 12 12 GLU CB C 12 33.450 33.450 33.365 0.085 17551 12047 1 18 . 1 1 12 12 GLU H H 12 8.562 8.562 8.913 -0.351 17551 12048 1 18 . 1 1 13 13 ASN N N 13 118.877 118.877 121.285 -2.408 17551 12049 1 18 . 1 1 13 13 ASN HA H 13 4.742 4.742 4.536 0.206 17551 12050 1 18 . 1 1 13 13 ASN C C 13 175.303 175.303 175.100 0.203 17551 12051 1 18 . 1 1 13 13 ASN CA C 13 53.373 53.373 54.522 -1.149 17551 12052 1 18 . 1 1 13 13 ASN CB C 13 37.207 37.207 37.533 -0.326 17551 12053 1 18 . 1 1 13 13 ASN H H 13 9.110 9.110 9.147 -0.037 17551 12054 1 18 . 1 1 14 14 TYR N N 14 118.061 118.061 120.427 -2.366 17551 12055 1 18 . 1 1 14 14 TYR HA H 14 4.015 4.015 4.426 -0.411 17551 12056 1 18 . 1 1 14 14 TYR C C 14 176.581 176.581 176.801 -0.220 17551 12057 1 18 . 1 1 14 14 TYR CA C 14 62.797 62.797 62.335 0.462 17551 12058 1 18 . 1 1 14 14 TYR CB C 14 38.998 38.998 38.741 0.257 17551 12059 1 18 . 1 1 14 14 TYR H H 14 8.731 8.731 8.186 0.545 17551 12060 1 18 . 1 1 15 15 ASP N N 15 115.317 115.317 117.914 -2.597 17551 12061 1 18 . 1 1 15 15 ASP HA H 15 4.112 4.112 4.407 -0.295 17551 12062 1 18 . 1 1 15 15 ASP C C 15 178.333 178.333 178.254 0.079 17551 12063 1 18 . 1 1 15 15 ASP CA C 15 57.819 57.819 59.198 -1.379 17551 12064 1 18 . 1 1 15 15 ASP CB C 15 40.410 40.410 40.183 0.227 17551 12065 1 18 . 1 1 15 15 ASP H H 15 8.316 8.316 9.033 -0.717 17551 12066 1 18 . 1 1 16 16 ASP N N 16 117.774 117.774 119.617 -1.843 17551 12067 1 18 . 1 1 16 16 ASP HA H 16 4.392 4.392 4.454 -0.061 17551 12068 1 18 . 1 1 16 16 ASP C C 16 178.597 178.597 178.178 0.419 17551 12069 1 18 . 1 1 16 16 ASP CA C 16 56.348 56.348 57.083 -0.735 17551 12070 1 18 . 1 1 16 16 ASP CB C 16 39.883 39.883 40.938 -1.054 17551 12071 1 18 . 1 1 16 16 ASP H H 16 8.449 8.449 8.364 0.085 17551 12072 1 18 . 1 1 17 17 PHE N N 17 120.363 120.363 121.266 -0.903 17551 12073 1 18 . 1 1 17 17 PHE HA H 17 4.068 4.068 4.166 -0.098 17551 12074 1 18 . 1 1 17 17 PHE C C 17 176.755 176.755 177.453 -0.698 17551 12075 1 18 . 1 1 17 17 PHE CA C 17 61.840 61.840 61.057 0.783 17551 12076 1 18 . 1 1 17 17 PHE CB C 17 39.794 39.794 39.055 0.739 17551 12077 1 18 . 1 1 17 17 PHE H H 17 7.931 7.931 7.798 0.133 17551 12078 1 18 . 1 1 18 18 VAL N N 18 110.180 110.180 117.279 -7.099 17551 12079 1 18 . 1 1 18 18 VAL HA H 18 3.595 3.595 3.508 0.087 17551 12080 1 18 . 1 1 18 18 VAL C C 18 178.434 178.434 177.795 0.639 17551 12081 1 18 . 1 1 18 18 VAL CA C 18 64.697 64.697 66.526 -1.829 17551 12082 1 18 . 1 1 18 18 VAL CB C 18 29.602 29.602 31.323 -1.722 17551 12083 1 18 . 1 1 18 18 VAL H H 18 8.294 8.294 8.525 -0.231 17551 12084 1 18 . 1 1 19 19 LYS N N 19 119.749 119.749 119.278 0.471 17551 12085 1 18 . 1 1 19 19 LYS HA H 19 4.108 4.108 4.051 0.057 17551 12086 1 18 . 1 1 19 19 LYS C C 19 179.796 179.796 179.131 0.665 17551 12087 1 18 . 1 1 19 19 LYS CA C 19 58.320 58.320 58.890 -0.570 17551 12088 1 18 . 1 1 19 19 LYS CB C 19 31.918 31.918 31.844 0.074 17551 12089 1 18 . 1 1 19 19 LYS H H 19 7.382 7.382 8.187 -0.805 17551 12090 1 18 . 1 1 20 20 LYS N N 20 121.187 121.187 119.265 1.922 17551 12091 1 18 . 1 1 20 20 LYS HA H 20 4.071 4.071 4.114 -0.043 17551 12092 1 18 . 1 1 20 20 LYS C C 20 179.071 179.071 179.176 -0.105 17551 12093 1 18 . 1 1 20 20 LYS CA C 20 57.347 57.347 58.105 -0.757 17551 12094 1 18 . 1 1 20 20 LYS CB C 20 30.633 30.633 32.707 -2.074 17551 12095 1 18 . 1 1 20 20 LYS H H 20 7.718 7.718 7.486 0.232 17551 12096 1 18 . 1 1 21 21 ILE N N 21 109.363 109.363 111.995 -2.632 17551 12097 1 18 . 1 1 21 21 ILE HA H 21 4.212 4.212 3.877 0.335 17551 12098 1 18 . 1 1 21 21 ILE C C 21 176.366 176.366 176.273 0.093 17551 12099 1 18 . 1 1 21 21 ILE CA C 21 61.610 61.610 61.758 -0.148 17551 12100 1 18 . 1 1 21 21 ILE CB C 21 36.968 36.968 37.538 -0.570 17551 12101 1 18 . 1 1 21 21 ILE H H 21 7.591 7.591 7.822 -0.231 17551 12102 1 18 . 1 1 22 22 GLY N N 22 107.961 107.961 109.009 -1.048 17551 12103 1 18 . 1 1 22 22 GLY C C 22 174.877 174.877 174.942 -0.065 17551 12104 1 18 . 1 1 22 22 GLY CA C 22 45.510 45.510 45.406 0.104 17551 12105 1 18 . 1 1 22 22 GLY H H 22 7.260 7.260 7.348 -0.088 17551 12106 1 18 . 1 1 23 23 LEU N N 23 120.597 120.597 122.392 -1.795 17551 12107 1 18 . 1 1 23 23 LEU HA H 23 4.207 4.207 4.517 -0.310 17551 12108 1 18 . 1 1 23 23 LEU CA C 23 52.923 52.923 52.577 0.346 17551 12109 1 18 . 1 1 23 23 LEU CB C 23 42.241 42.241 42.829 -0.588 17551 12110 1 18 . 1 1 23 23 LEU H H 23 7.314 7.314 8.013 -0.699 17551 12111 1 18 . 1 1 24 24 PRO HA H 24 4.537 4.537 4.478 0.059 17551 12112 1 18 . 1 1 24 24 PRO C C 24 177.702 177.702 177.163 0.539 17551 12113 1 18 . 1 1 24 24 PRO CA C 24 61.891 61.891 62.376 -0.485 17551 12114 1 18 . 1 1 24 24 PRO CB C 24 32.260 32.260 32.684 -0.424 17551 12115 1 18 . 1 1 25 25 ALA N N 25 123.142 123.142 126.367 -3.225 17551 12116 1 18 . 1 1 25 25 ALA HA H 25 3.935 3.935 3.990 -0.055 17551 12117 1 18 . 1 1 25 25 ALA C C 25 179.461 179.461 179.530 -0.069 17551 12118 1 18 . 1 1 25 25 ALA CA C 25 55.314 55.314 55.517 -0.204 17551 12119 1 18 . 1 1 25 25 ALA CB C 25 18.220 18.220 18.505 -0.285 17551 12120 1 18 . 1 1 25 25 ALA H H 25 8.738 8.738 8.673 0.065 17551 12121 1 18 . 1 1 26 26 ASP N N 26 115.440 115.440 116.951 -1.511 17551 12122 1 18 . 1 1 26 26 ASP HA H 26 4.379 4.379 4.405 -0.026 17551 12123 1 18 . 1 1 26 26 ASP C C 26 179.291 179.291 178.520 0.771 17551 12124 1 18 . 1 1 26 26 ASP CA C 26 56.015 56.015 57.318 -1.302 17551 12125 1 18 . 1 1 26 26 ASP CB C 26 38.136 38.136 40.738 -2.602 17551 12126 1 18 . 1 1 26 26 ASP H H 26 8.971 8.971 8.705 0.266 17551 12127 1 18 . 1 1 27 27 LYS N N 27 122.292 122.292 118.327 3.965 17551 12128 1 18 . 1 1 27 27 LYS HA H 27 4.160 4.160 4.321 -0.161 17551 12129 1 18 . 1 1 27 27 LYS C C 27 177.758 177.758 178.973 -1.215 17551 12130 1 18 . 1 1 27 27 LYS CA C 27 58.022 58.022 57.200 0.822 17551 12131 1 18 . 1 1 27 27 LYS CB C 27 31.334 31.334 32.474 -1.140 17551 12132 1 18 . 1 1 27 27 LYS H H 27 7.434 7.434 7.634 -0.200 17551 12133 1 18 . 1 1 28 28 ILE N N 28 119.737 119.737 122.201 -2.464 17551 12134 1 18 . 1 1 28 28 ILE HA H 28 3.586 3.586 3.778 -0.192 17551 12135 1 18 . 1 1 28 28 ILE C C 28 180.386 180.386 177.857 2.529 17551 12136 1 18 . 1 1 28 28 ILE CA C 28 65.027 65.027 65.569 -0.542 17551 12137 1 18 . 1 1 28 28 ILE CB C 28 37.002 37.002 37.890 -0.888 17551 12138 1 18 . 1 1 28 28 ILE H H 28 8.016 8.016 8.531 -0.515 17551 12139 1 18 . 1 1 29 29 GLU N N 29 117.216 117.216 116.513 0.703 17551 12140 1 18 . 1 1 29 29 GLU HA H 29 4.294 4.294 4.090 0.204 17551 12141 1 18 . 1 1 29 29 GLU C C 29 179.024 179.024 178.808 0.216 17551 12142 1 18 . 1 1 29 29 GLU CA C 29 58.139 58.139 58.487 -0.348 17551 12143 1 18 . 1 1 29 29 GLU CB C 29 28.028 28.028 29.518 -1.490 17551 12144 1 18 . 1 1 29 29 GLU H H 29 7.755 7.755 8.069 -0.314 17551 12145 1 18 . 1 1 30 30 MET N N 30 119.183 119.183 120.631 -1.448 17551 12146 1 18 . 1 1 30 30 MET HA H 30 4.194 4.194 4.369 -0.175 17551 12147 1 18 . 1 1 30 30 MET C C 30 177.683 177.683 177.576 0.107 17551 12148 1 18 . 1 1 30 30 MET CA C 30 58.150 58.150 57.220 0.930 17551 12149 1 18 . 1 1 30 30 MET CB C 30 33.162 33.162 32.938 0.224 17551 12150 1 18 . 1 1 30 30 MET H H 30 7.659 7.659 7.594 0.065 17551 12151 1 18 . 1 1 31 31 GLY N N 31 102.603 102.603 105.144 -2.541 17551 12152 1 18 . 1 1 31 31 GLY C C 31 172.264 172.264 172.869 -0.605 17551 12153 1 18 . 1 1 31 31 GLY CA C 31 45.433 45.433 44.554 0.879 17551 12154 1 18 . 1 1 31 31 GLY H H 31 7.839 7.839 8.366 -0.527 17551 12155 1 18 . 1 1 32 32 ARG N N 32 121.453 121.453 119.107 2.346 17551 12156 1 18 . 1 1 32 32 ARG HA H 32 3.072 3.072 4.478 -1.406 17551 12157 1 18 . 1 1 32 32 ARG C C 32 175.932 175.932 175.014 0.918 17551 12158 1 18 . 1 1 32 32 ARG CA C 32 56.894 56.894 55.284 1.610 17551 12159 1 18 . 1 1 32 32 ARG CB C 32 29.004 29.004 31.923 -2.919 17551 12160 1 18 . 1 1 32 32 ARG H H 32 6.954 6.954 7.211 -0.257 17551 12161 1 18 . 1 1 33 33 ASN N N 33 127.905 127.905 115.666 12.239 17551 12162 1 18 . 1 1 33 33 ASN HA H 33 4.066 4.066 4.089 -0.023 17551 12163 1 18 . 1 1 33 33 ASN C C 33 173.939 173.939 174.190 -0.251 17551 12164 1 18 . 1 1 33 33 ASN CA C 33 53.539 53.539 54.087 -0.548 17551 12165 1 18 . 1 1 33 33 ASN CB C 33 37.017 37.017 36.831 0.186 17551 12166 1 18 . 1 1 33 33 ASN H H 33 8.990 8.990 8.357 0.633 17551 12167 1 18 . 1 1 34 34 CYS N N 34 116.649 116.649 114.826 1.823 17551 12168 1 18 . 1 1 34 34 CYS HA H 34 4.018 4.018 4.617 -0.599 17551 12169 1 18 . 1 1 34 34 CYS C C 34 175.384 175.384 175.086 0.298 17551 12170 1 18 . 1 1 34 34 CYS CA C 34 57.216 57.216 56.567 0.649 17551 12171 1 18 . 1 1 34 34 CYS CB C 34 27.200 27.200 31.397 -4.197 17551 12172 1 18 . 1 1 34 34 CYS H H 34 7.443 7.443 7.494 -0.051 17551 12173 1 18 . 1 1 35 35 LYS N N 35 130.727 130.727 121.738 8.989 17551 12174 1 18 . 1 1 35 35 LYS HA H 35 4.296 4.296 4.434 -0.138 17551 12175 1 18 . 1 1 35 35 LYS C C 35 175.272 175.272 175.124 0.148 17551 12176 1 18 . 1 1 35 35 LYS CA C 35 55.577 55.577 55.459 0.118 17551 12177 1 18 . 1 1 35 35 LYS CB C 35 29.487 29.487 30.858 -1.371 17551 12178 1 18 . 1 1 35 35 LYS H H 35 8.691 8.691 8.447 0.244 17551 12179 1 18 . 1 1 36 36 ILE N N 36 125.658 125.658 125.335 0.323 17551 12180 1 18 . 1 1 36 36 ILE HA H 36 4.010 4.010 4.679 -0.669 17551 12181 1 18 . 1 1 36 36 ILE C C 36 177.115 177.115 175.779 1.336 17551 12182 1 18 . 1 1 36 36 ILE CA C 36 62.608 62.608 59.159 3.449 17551 12183 1 18 . 1 1 36 36 ILE CB C 36 39.739 39.739 37.546 2.193 17551 12184 1 18 . 1 1 36 36 ILE H H 36 7.658 7.658 8.073 -0.415 17551 12185 1 18 . 1 1 37 37 VAL N N 37 130.730 130.730 129.284 1.446 17551 12186 1 18 . 1 1 37 37 VAL HA H 37 5.105 5.105 5.231 -0.126 17551 12187 1 18 . 1 1 37 37 VAL C C 37 175.295 175.295 175.897 -0.602 17551 12188 1 18 . 1 1 37 37 VAL CA C 37 60.845 60.845 61.288 -0.444 17551 12189 1 18 . 1 1 37 37 VAL CB C 37 33.716 33.716 33.082 0.634 17551 12190 1 18 . 1 1 37 37 VAL H H 37 7.909 7.909 8.559 -0.650 17551 12191 1 18 . 1 1 38 38 THR N N 38 127.066 127.066 125.186 1.880 17551 12192 1 18 . 1 1 38 38 THR HA H 38 5.405 5.405 5.429 -0.024 17551 12193 1 18 . 1 1 38 38 THR C C 38 174.035 174.035 174.122 -0.087 17551 12194 1 18 . 1 1 38 38 THR CA C 38 61.303 61.303 60.787 0.516 17551 12195 1 18 . 1 1 38 38 THR CB C 38 70.474 70.474 69.847 0.627 17551 12196 1 18 . 1 1 38 38 THR H H 38 9.393 9.393 9.251 0.142 17551 12197 1 18 . 1 1 39 39 GLU N N 39 126.804 126.804 129.168 -2.364 17551 12198 1 18 . 1 1 39 39 GLU HA H 39 5.216 5.216 4.769 0.447 17551 12199 1 18 . 1 1 39 39 GLU C C 39 174.379 174.379 175.084 -0.705 17551 12200 1 18 . 1 1 39 39 GLU CA C 39 54.232 54.232 55.765 -1.533 17551 12201 1 18 . 1 1 39 39 GLU CB C 39 32.531 32.531 30.887 1.644 17551 12202 1 18 . 1 1 39 39 GLU H H 39 9.728 9.728 8.587 1.141 17551 12203 1 18 . 1 1 40 40 VAL N N 40 125.405 125.405 126.492 -1.087 17551 12204 1 18 . 1 1 40 40 VAL HA H 40 4.859 4.859 5.254 -0.395 17551 12205 1 18 . 1 1 40 40 VAL C C 40 176.139 176.139 174.961 1.178 17551 12206 1 18 . 1 1 40 40 VAL CA C 40 60.091 60.091 60.693 -0.602 17551 12207 1 18 . 1 1 40 40 VAL CB C 40 33.952 33.952 34.111 -0.160 17551 12208 1 18 . 1 1 40 40 VAL H H 40 9.326 9.326 8.990 0.336 17551 12209 1 18 . 1 1 41 41 VAL N N 41 127.197 127.197 126.631 0.566 17551 12210 1 18 . 1 1 41 41 VAL HA H 41 4.144 4.144 4.540 -0.396 17551 12211 1 18 . 1 1 41 41 VAL C C 41 173.604 173.604 173.759 -0.155 17551 12212 1 18 . 1 1 41 41 VAL CA C 41 62.522 62.522 59.470 3.052 17551 12213 1 18 . 1 1 41 41 VAL CB C 41 33.757 33.757 34.954 -1.197 17551 12214 1 18 . 1 1 41 41 VAL H H 41 8.811 8.811 8.265 0.546 17551 12215 1 18 . 1 1 42 42 GLN N N 42 130.317 130.317 126.818 3.499 17551 12216 1 18 . 1 1 42 42 GLN HA H 42 4.430 4.430 4.157 0.273 17551 12217 1 18 . 1 1 42 42 GLN C C 42 174.239 174.239 174.639 -0.400 17551 12218 1 18 . 1 1 42 42 GLN CA C 42 52.960 52.960 55.728 -2.768 17551 12219 1 18 . 1 1 42 42 GLN CB C 42 29.877 29.877 28.633 1.244 17551 12220 1 18 . 1 1 42 42 GLN H H 42 8.345 8.345 8.669 -0.324 17551 12221 1 18 . 1 1 43 43 ASN N N 43 125.513 125.513 125.312 0.201 17551 12222 1 18 . 1 1 43 43 ASN HA H 43 4.826 4.826 4.823 0.003 17551 12223 1 18 . 1 1 43 43 ASN C C 43 175.350 175.350 175.186 0.164 17551 12224 1 18 . 1 1 43 43 ASN CA C 43 51.303 51.303 51.772 -0.469 17551 12225 1 18 . 1 1 43 43 ASN CB C 43 39.051 39.051 38.689 0.362 17551 12226 1 18 . 1 1 43 43 ASN H H 43 8.772 8.772 7.757 1.015 17551 12227 1 18 . 1 1 44 44 GLY N N 44 115.694 115.694 111.543 4.151 17551 12228 1 18 . 1 1 44 44 GLY C C 44 173.199 173.199 174.933 -1.734 17551 12229 1 18 . 1 1 44 44 GLY CA C 44 46.964 46.964 46.743 0.221 17551 12230 1 18 . 1 1 44 44 GLY H H 44 9.187 9.187 8.483 0.704 17551 12231 1 18 . 1 1 45 45 ASN N N 45 125.520 125.520 123.707 1.813 17551 12232 1 18 . 1 1 45 45 ASN HA H 45 4.991 4.991 4.786 0.205 17551 12233 1 18 . 1 1 45 45 ASN C C 45 173.822 173.822 172.905 0.917 17551 12234 1 18 . 1 1 45 45 ASN CA C 45 52.215 52.215 52.299 -0.084 17551 12235 1 18 . 1 1 45 45 ASN CB C 45 38.700 38.700 40.193 -1.493 17551 12236 1 18 . 1 1 45 45 ASN H H 45 8.854 8.854 8.286 0.568 17551 12237 1 18 . 1 1 46 46 ASP N N 46 120.842 120.842 121.032 -0.190 17551 12238 1 18 . 1 1 46 46 ASP HA H 46 5.185 5.185 5.155 0.030 17551 12239 1 18 . 1 1 46 46 ASP C C 46 174.705 174.705 174.323 0.382 17551 12240 1 18 . 1 1 46 46 ASP CA C 46 53.658 53.658 52.791 0.867 17551 12241 1 18 . 1 1 46 46 ASP CB C 46 41.025 41.025 41.491 -0.466 17551 12242 1 18 . 1 1 46 46 ASP H H 46 7.921 7.921 7.687 0.234 17551 12243 1 18 . 1 1 47 47 PHE N N 47 121.470 121.470 125.111 -3.641 17551 12244 1 18 . 1 1 47 47 PHE HA H 47 5.161 5.161 5.063 0.098 17551 12245 1 18 . 1 1 47 47 PHE C C 47 177.125 177.125 175.805 1.320 17551 12246 1 18 . 1 1 47 47 PHE CA C 47 56.591 56.591 55.903 0.688 17551 12247 1 18 . 1 1 47 47 PHE CB C 47 44.035 44.035 41.472 2.563 17551 12248 1 18 . 1 1 47 47 PHE H H 47 9.263 9.263 8.474 0.789 17551 12249 1 18 . 1 1 48 48 THR N N 48 116.950 116.950 115.011 1.939 17551 12250 1 18 . 1 1 48 48 THR HA H 48 4.861 4.861 4.544 0.317 17551 12251 1 18 . 1 1 48 48 THR C C 48 172.499 172.499 173.767 -1.268 17551 12252 1 18 . 1 1 48 48 THR CA C 48 62.943 62.943 61.581 1.362 17551 12253 1 18 . 1 1 48 48 THR CB C 48 70.360 70.360 69.103 1.257 17551 12254 1 18 . 1 1 48 48 THR H H 48 8.831 8.831 8.333 0.498 17551 12255 1 18 . 1 1 49 49 TRP N N 49 132.266 132.266 128.426 3.840 17551 12256 1 18 . 1 1 49 49 TRP HA H 49 4.955 4.955 4.933 0.022 17551 12257 1 18 . 1 1 49 49 TRP C C 49 175.842 175.842 174.990 0.852 17551 12258 1 18 . 1 1 49 49 TRP CA C 49 57.286 57.286 56.571 0.715 17551 12259 1 18 . 1 1 49 49 TRP CB C 49 31.894 31.894 32.089 -0.195 17551 12260 1 18 . 1 1 49 49 TRP H H 49 9.914 9.914 8.782 1.132 17551 12261 1 18 . 1 1 50 50 THR N N 50 131.707 131.707 123.039 8.668 17551 12262 1 18 . 1 1 50 50 THR HA H 50 5.928 5.928 4.661 1.267 17551 12263 1 18 . 1 1 50 50 THR C C 50 173.408 173.408 172.961 0.447 17551 12264 1 18 . 1 1 50 50 THR CA C 50 60.993 60.993 61.688 -0.695 17551 12265 1 18 . 1 1 50 50 THR CB C 50 70.957 70.957 69.891 1.067 17551 12266 1 18 . 1 1 50 50 THR H H 50 9.524 9.524 8.363 1.161 17551 12267 1 18 . 1 1 51 51 GLN N N 51 124.680 124.680 126.616 -1.936 17551 12268 1 18 . 1 1 51 51 GLN HA H 51 5.056 5.056 4.960 0.096 17551 12269 1 18 . 1 1 51 51 GLN C C 51 175.328 175.328 174.498 0.830 17551 12270 1 18 . 1 1 51 51 GLN CA C 51 56.309 56.309 54.495 1.814 17551 12271 1 18 . 1 1 51 51 GLN CB C 51 29.046 29.046 31.331 -2.285 17551 12272 1 18 . 1 1 51 51 GLN H H 51 9.456 9.456 9.275 0.181 17551 12273 1 18 . 1 1 52 52 HIS N N 52 122.268 122.268 124.879 -2.611 17551 12274 1 18 . 1 1 52 52 HIS HA H 52 5.051 5.051 4.871 0.180 17551 12275 1 18 . 1 1 52 52 HIS C C 52 174.819 174.819 174.203 0.616 17551 12276 1 18 . 1 1 52 52 HIS CA C 52 54.039 54.039 54.773 -0.734 17551 12277 1 18 . 1 1 52 52 HIS CB C 52 29.432 29.432 31.759 -2.327 17551 12278 1 18 . 1 1 52 52 HIS H H 52 9.534 9.534 9.141 0.393 17551 12279 1 18 . 1 1 53 53 PHE N N 53 129.837 129.837 124.967 4.870 17551 12280 1 18 . 1 1 53 53 PHE HA H 53 4.584 4.584 4.952 -0.368 17551 12281 1 18 . 1 1 53 53 PHE CA C 53 56.312 56.312 53.726 2.586 17551 12282 1 18 . 1 1 53 53 PHE CB C 53 40.660 40.660 41.370 -0.710 17551 12283 1 18 . 1 1 53 53 PHE H H 53 8.641 8.641 8.748 -0.107 17551 12284 1 18 . 1 1 54 54 PRO HA H 54 4.291 4.291 4.370 -0.079 17551 12285 1 18 . 1 1 54 54 PRO C C 54 177.389 177.389 176.711 0.678 17551 12286 1 18 . 1 1 54 54 PRO CA C 54 63.569 63.569 63.654 -0.085 17551 12287 1 18 . 1 1 54 54 PRO CB C 54 30.471 30.471 31.035 -0.564 17551 12288 1 18 . 1 1 55 55 GLY N N 55 113.867 113.867 112.999 0.868 17551 12289 1 18 . 1 1 55 55 GLY C C 55 175.164 175.164 174.177 0.987 17551 12290 1 18 . 1 1 55 55 GLY CA C 55 45.258 45.258 45.133 0.126 17551 12291 1 18 . 1 1 55 55 GLY H H 55 8.926 8.926 8.597 0.329 17551 12292 1 18 . 1 1 56 56 GLY N N 56 108.877 108.877 108.144 0.733 17551 12293 1 18 . 1 1 56 56 GLY C C 56 174.054 174.054 172.668 1.386 17551 12294 1 18 . 1 1 56 56 GLY CA C 56 44.534 44.534 44.327 0.207 17551 12295 1 18 . 1 1 56 56 GLY H H 56 8.426 8.426 7.695 0.731 17551 12296 1 18 . 1 1 57 57 ARG N N 57 123.871 123.871 118.704 5.167 17551 12297 1 18 . 1 1 57 57 ARG HA H 57 4.483 4.483 4.484 -0.001 17551 12298 1 18 . 1 1 57 57 ARG C C 57 176.728 176.728 176.403 0.325 17551 12299 1 18 . 1 1 57 57 ARG CA C 57 56.217 56.217 56.324 -0.107 17551 12300 1 18 . 1 1 57 57 ARG CB C 57 31.388 31.388 30.575 0.814 17551 12301 1 18 . 1 1 57 57 ARG H H 57 8.474 8.474 8.495 -0.021 17551 12302 1 18 . 1 1 58 58 THR N N 58 122.156 122.156 117.037 5.119 17551 12303 1 18 . 1 1 58 58 THR HA H 58 5.299 5.299 4.758 0.541 17551 12304 1 18 . 1 1 58 58 THR C C 58 174.092 174.092 174.965 -0.873 17551 12305 1 18 . 1 1 58 58 THR CA C 58 62.125 62.125 61.717 0.408 17551 12306 1 18 . 1 1 58 58 THR CB C 58 70.339 70.339 70.318 0.021 17551 12307 1 18 . 1 1 58 58 THR H H 58 8.818 8.818 8.431 0.387 17551 12308 1 18 . 1 1 59 59 THR N N 59 127.287 127.287 124.608 2.679 17551 12309 1 18 . 1 1 59 59 THR HA H 59 4.505 4.505 4.623 -0.118 17551 12310 1 18 . 1 1 59 59 THR C C 59 172.626 172.626 172.741 -0.115 17551 12311 1 18 . 1 1 59 59 THR CA C 59 62.163 62.163 61.860 0.303 17551 12312 1 18 . 1 1 59 59 THR CB C 59 70.565 70.565 71.278 -0.713 17551 12313 1 18 . 1 1 59 59 THR H H 59 9.281 9.281 9.076 0.205 17551 12314 1 18 . 1 1 60 60 THR N N 60 123.658 123.658 122.640 1.018 17551 12315 1 18 . 1 1 60 60 THR HA H 60 5.105 5.105 5.344 -0.239 17551 12316 1 18 . 1 1 60 60 THR C C 60 172.453 172.453 173.721 -1.268 17551 12317 1 18 . 1 1 60 60 THR CA C 60 61.277 61.277 60.985 0.292 17551 12318 1 18 . 1 1 60 60 THR CB C 60 70.432 70.432 70.447 -0.015 17551 12319 1 18 . 1 1 60 60 THR H H 60 8.952 8.952 8.765 0.187 17551 12320 1 18 . 1 1 61 61 ASN N N 61 124.292 124.292 123.930 0.362 17551 12321 1 18 . 1 1 61 61 ASN HA H 61 5.384 5.384 5.047 0.337 17551 12322 1 18 . 1 1 61 61 ASN C C 61 173.609 173.609 174.032 -0.423 17551 12323 1 18 . 1 1 61 61 ASN CA C 61 52.190 52.190 52.538 -0.348 17551 12324 1 18 . 1 1 61 61 ASN CB C 61 43.987 43.987 41.306 2.681 17551 12325 1 18 . 1 1 61 61 ASN H H 61 8.848 8.848 9.267 -0.419 17551 12326 1 18 . 1 1 62 62 SER N N 62 118.046 118.046 119.274 -1.228 17551 12327 1 18 . 1 1 62 62 SER HA H 62 5.659 5.659 5.197 0.462 17551 12328 1 18 . 1 1 62 62 SER C C 62 172.545 172.545 173.095 -0.550 17551 12329 1 18 . 1 1 62 62 SER CA C 62 56.974 56.974 58.091 -1.117 17551 12330 1 18 . 1 1 62 62 SER CB C 62 64.719 64.719 64.823 -0.104 17551 12331 1 18 . 1 1 62 62 SER H H 62 8.986 8.986 8.802 0.184 17551 12332 1 18 . 1 1 63 63 PHE N N 63 118.769 118.769 119.021 -0.252 17551 12333 1 18 . 1 1 63 63 PHE HA H 63 5.016 5.016 4.967 0.049 17551 12334 1 18 . 1 1 63 63 PHE C C 63 172.500 172.500 173.257 -0.757 17551 12335 1 18 . 1 1 63 63 PHE CA C 63 55.793 55.793 56.273 -0.480 17551 12336 1 18 . 1 1 63 63 PHE CB C 63 39.459 39.459 41.100 -1.641 17551 12337 1 18 . 1 1 63 63 PHE H H 63 8.514 8.514 8.471 0.043 17551 12338 1 18 . 1 1 64 64 THR N N 64 120.318 120.318 117.975 2.343 17551 12339 1 18 . 1 1 64 64 THR HA H 64 5.617 5.617 4.965 0.652 17551 12340 1 18 . 1 1 64 64 THR C C 64 175.240 175.240 174.527 0.713 17551 12341 1 18 . 1 1 64 64 THR CA C 64 60.409 60.409 61.593 -1.184 17551 12342 1 18 . 1 1 64 64 THR CB C 64 71.213 71.213 70.549 0.664 17551 12343 1 18 . 1 1 64 64 THR H H 64 9.743 9.743 8.731 1.012 17551 12344 1 18 . 1 1 65 65 ILE N N 65 127.640 127.640 127.469 0.171 17551 12345 1 18 . 1 1 65 65 ILE HA H 65 4.089 4.089 3.906 0.183 17551 12346 1 18 . 1 1 65 65 ILE C C 65 176.477 176.477 177.464 -0.987 17551 12347 1 18 . 1 1 65 65 ILE CA C 65 59.299 59.299 61.852 -2.553 17551 12348 1 18 . 1 1 65 65 ILE CB C 65 35.445 35.445 36.180 -0.735 17551 12349 1 18 . 1 1 65 65 ILE H H 65 8.961 8.961 9.021 -0.060 17551 12350 1 18 . 1 1 66 66 ASP N N 66 117.361 117.361 124.967 -7.606 17551 12351 1 18 . 1 1 66 66 ASP HA H 66 4.080 4.080 4.218 -0.138 17551 12352 1 18 . 1 1 66 66 ASP C C 66 174.730 174.730 174.504 0.226 17551 12353 1 18 . 1 1 66 66 ASP CA C 66 57.150 57.150 55.734 1.416 17551 12354 1 18 . 1 1 66 66 ASP CB C 66 38.442 38.442 40.517 -2.075 17551 12355 1 18 . 1 1 66 66 ASP H H 66 9.264 9.264 9.368 -0.104 17551 12356 1 18 . 1 1 67 67 LYS N N 67 121.171 121.171 119.260 1.911 17551 12357 1 18 . 1 1 67 67 LYS HA H 67 4.805 4.805 4.575 0.230 17551 12358 1 18 . 1 1 67 67 LYS C C 67 175.115 175.115 174.699 0.416 17551 12359 1 18 . 1 1 67 67 LYS CA C 67 53.900 53.900 54.401 -0.501 17551 12360 1 18 . 1 1 67 67 LYS CB C 67 34.256 34.256 35.398 -1.142 17551 12361 1 18 . 1 1 67 67 LYS H H 67 8.185 8.185 7.794 0.391 17551 12362 1 18 . 1 1 68 68 GLU N N 68 130.373 130.373 126.517 3.856 17551 12363 1 18 . 1 1 68 68 GLU HA H 68 4.194 4.194 4.375 -0.181 17551 12364 1 18 . 1 1 68 68 GLU C C 68 175.449 175.449 175.245 0.204 17551 12365 1 18 . 1 1 68 68 GLU CA C 68 58.343 58.343 56.890 1.453 17551 12366 1 18 . 1 1 68 68 GLU H H 68 8.879 8.879 8.722 0.157 17551 12367 1 18 . 1 1 69 69 ALA N N 69 130.113 130.113 129.516 0.597 17551 12368 1 18 . 1 1 69 69 ALA HA H 69 4.924 4.924 4.721 0.203 17551 12369 1 18 . 1 1 69 69 ALA C C 69 175.797 175.797 175.395 0.402 17551 12370 1 18 . 1 1 69 69 ALA CA C 69 50.151 50.151 50.774 -0.623 17551 12371 1 18 . 1 1 69 69 ALA CB C 69 22.239 22.239 22.670 -0.431 17551 12372 1 18 . 1 1 69 69 ALA H H 69 8.864 8.864 9.030 -0.166 17551 12373 1 18 . 1 1 70 70 ASP N N 70 120.889 120.889 122.073 -1.184 17551 12374 1 18 . 1 1 70 70 ASP HA H 70 4.852 4.852 4.919 -0.067 17551 12375 1 18 . 1 1 70 70 ASP C C 70 175.541 175.541 175.342 0.199 17551 12376 1 18 . 1 1 70 70 ASP CA C 70 54.211 54.211 55.301 -1.090 17551 12377 1 18 . 1 1 70 70 ASP CB C 70 41.052 41.052 41.523 -0.471 17551 12378 1 18 . 1 1 70 70 ASP H H 70 8.319 8.319 8.669 -0.350 17551 12379 1 18 . 1 1 71 71 MET N N 71 125.005 125.005 122.072 2.933 17551 12380 1 18 . 1 1 71 71 MET HA H 71 4.743 4.743 4.601 0.142 17551 12381 1 18 . 1 1 71 71 MET C C 71 174.047 174.047 173.594 0.453 17551 12382 1 18 . 1 1 71 71 MET CA C 71 54.265 54.265 54.123 0.142 17551 12383 1 18 . 1 1 71 71 MET CB C 71 39.844 39.844 37.120 2.724 17551 12384 1 18 . 1 1 71 71 MET H H 71 8.796 8.796 8.528 0.268 17551 12385 1 18 . 1 1 72 72 GLU N N 72 118.909 118.909 119.707 -0.798 17551 12386 1 18 . 1 1 72 72 GLU HA H 72 5.613 5.613 5.426 0.187 17551 12387 1 18 . 1 1 72 72 GLU C C 72 176.109 176.109 175.159 0.950 17551 12388 1 18 . 1 1 72 72 GLU CA C 72 53.790 53.790 54.687 -0.897 17551 12389 1 18 . 1 1 72 72 GLU CB C 72 33.986 33.986 33.517 0.469 17551 12390 1 18 . 1 1 72 72 GLU H H 72 9.225 9.225 8.244 0.981 17551 12391 1 18 . 1 1 73 73 THR N N 73 109.667 109.667 116.487 -6.820 17551 12392 1 18 . 1 1 73 73 THR HA H 73 4.538 4.538 4.722 -0.184 17551 12393 1 18 . 1 1 73 73 THR C C 73 176.660 176.660 175.977 0.683 17551 12394 1 18 . 1 1 73 73 THR CA C 73 59.666 59.666 60.219 -0.553 17551 12395 1 18 . 1 1 73 73 THR CB C 73 69.710 69.710 70.701 -0.991 17551 12396 1 18 . 1 1 73 73 THR H H 73 8.904 8.904 8.553 0.351 17551 12397 1 18 . 1 1 74 74 MET N N 74 117.519 117.519 118.831 -1.312 17551 12398 1 18 . 1 1 74 74 MET HA H 74 4.776 4.776 4.328 0.448 17551 12399 1 18 . 1 1 74 74 MET C C 74 176.641 176.641 176.935 -0.294 17551 12400 1 18 . 1 1 74 74 MET CA C 74 58.631 58.631 57.462 1.169 17551 12401 1 18 . 1 1 74 74 MET H H 74 8.206 8.206 8.595 -0.389 17551 12402 1 18 . 1 1 75 75 GLY N N 75 103.810 103.810 103.859 -0.049 17551 12403 1 18 . 1 1 75 75 GLY C C 75 173.956 173.956 174.996 -1.040 17551 12404 1 18 . 1 1 75 75 GLY CA C 75 43.728 43.728 44.884 -1.156 17551 12405 1 18 . 1 1 75 75 GLY H H 75 8.067 8.067 7.579 0.488 17551 12406 1 18 . 1 1 76 76 GLY N N 76 108.498 108.498 108.612 -0.114 17551 12407 1 18 . 1 1 76 76 GLY C C 76 173.267 173.267 173.782 -0.515 17551 12408 1 18 . 1 1 76 76 GLY CA C 76 44.563 44.563 44.482 0.081 17551 12409 1 18 . 1 1 76 76 GLY H H 76 7.702 7.702 7.550 0.152 17551 12410 1 18 . 1 1 77 77 ARG N N 77 121.161 121.161 120.368 0.793 17551 12411 1 18 . 1 1 77 77 ARG HA H 77 4.348 4.348 4.594 -0.246 17551 12412 1 18 . 1 1 77 77 ARG C C 77 176.083 176.083 175.456 0.627 17551 12413 1 18 . 1 1 77 77 ARG CA C 77 55.350 55.350 54.754 0.596 17551 12414 1 18 . 1 1 77 77 ARG CB C 77 30.904 30.904 31.863 -0.959 17551 12415 1 18 . 1 1 77 77 ARG H H 77 7.328 7.328 7.685 -0.357 17551 12416 1 18 . 1 1 78 78 LYS N N 78 126.790 126.790 124.940 1.850 17551 12417 1 18 . 1 1 78 78 LYS HA H 78 5.147 5.147 4.745 0.402 17551 12418 1 18 . 1 1 78 78 LYS C C 78 176.961 176.961 176.046 0.915 17551 12419 1 18 . 1 1 78 78 LYS CA C 78 55.487 55.487 55.466 0.021 17551 12420 1 18 . 1 1 78 78 LYS CB C 78 32.769 32.769 32.797 -0.028 17551 12421 1 18 . 1 1 78 78 LYS H H 78 8.771 8.771 8.709 0.062 17551 12422 1 18 . 1 1 79 79 PHE N N 79 119.480 119.480 121.920 -2.440 17551 12423 1 18 . 1 1 79 79 PHE HA H 79 4.898 4.898 4.977 -0.079 17551 12424 1 18 . 1 1 79 79 PHE C C 79 171.587 171.587 173.246 -1.659 17551 12425 1 18 . 1 1 79 79 PHE CA C 79 55.817 55.817 56.718 -0.901 17551 12426 1 18 . 1 1 79 79 PHE CB C 79 40.702 40.702 41.184 -0.482 17551 12427 1 18 . 1 1 79 79 PHE H H 79 8.794 8.794 8.340 0.454 17551 12428 1 18 . 1 1 80 80 LYS N N 80 119.760 119.760 119.590 0.170 17551 12429 1 18 . 1 1 80 80 LYS HA H 80 5.460 5.460 5.342 0.118 17551 12430 1 18 . 1 1 80 80 LYS C C 80 176.538 176.538 175.385 1.153 17551 12431 1 18 . 1 1 80 80 LYS CA C 80 53.988 53.988 55.381 -1.393 17551 12432 1 18 . 1 1 80 80 LYS CB C 80 35.754 35.754 36.029 -0.275 17551 12433 1 18 . 1 1 80 80 LYS H H 80 8.414 8.414 8.452 -0.038 17551 12434 1 18 . 1 1 81 81 ALA N N 81 121.171 121.171 126.703 -5.532 17551 12435 1 18 . 1 1 81 81 ALA HA H 81 4.738 4.738 4.621 0.117 17551 12436 1 18 . 1 1 81 81 ALA C C 81 175.290 175.290 174.915 0.375 17551 12437 1 18 . 1 1 81 81 ALA CA C 81 51.262 51.262 51.133 0.129 17551 12438 1 18 . 1 1 81 81 ALA CB C 81 22.568 22.568 22.176 0.392 17551 12439 1 18 . 1 1 81 81 ALA H H 81 8.525 8.525 8.830 -0.305 17551 12440 1 18 . 1 1 82 82 THR N N 82 117.970 117.970 116.475 1.495 17551 12441 1 18 . 1 1 82 82 THR HA H 82 4.292 4.292 4.655 -0.363 17551 12442 1 18 . 1 1 82 82 THR C C 82 172.556 172.556 174.022 -1.466 17551 12443 1 18 . 1 1 82 82 THR CA C 82 61.640 61.640 62.013 -0.373 17551 12444 1 18 . 1 1 82 82 THR CB C 82 68.485 68.485 69.439 -0.953 17551 12445 1 18 . 1 1 82 82 THR H H 82 8.448 8.448 8.421 0.027 17551 12446 1 18 . 1 1 83 83 VAL N N 83 131.564 131.564 124.537 7.027 17551 12447 1 18 . 1 1 83 83 VAL HA H 83 3.784 3.784 4.729 -0.945 17551 12448 1 18 . 1 1 83 83 VAL C C 83 174.167 174.167 174.412 -0.245 17551 12449 1 18 . 1 1 83 83 VAL CA C 83 62.059 62.059 60.829 1.230 17551 12450 1 18 . 1 1 83 83 VAL CB C 83 31.076 31.076 34.215 -3.139 17551 12451 1 18 . 1 1 83 83 VAL H H 83 9.722 9.722 7.894 1.828 17551 12452 1 18 . 1 1 84 84 LYS N N 84 125.930 125.930 123.386 2.544 17551 12453 1 18 . 1 1 84 84 LYS HA H 84 4.851 4.851 4.747 0.104 17551 12454 1 18 . 1 1 84 84 LYS C C 84 175.025 175.025 174.069 0.956 17551 12455 1 18 . 1 1 84 84 LYS CA C 84 54.213 54.213 54.339 -0.126 17551 12456 1 18 . 1 1 84 84 LYS CB C 84 35.076 35.076 35.822 -0.746 17551 12457 1 18 . 1 1 84 84 LYS H H 84 8.541 8.541 9.163 -0.622 17551 12458 1 18 . 1 1 85 85 MET N N 85 119.366 119.366 120.173 -0.807 17551 12459 1 18 . 1 1 85 85 MET HA H 85 5.517 5.517 5.290 0.227 17551 12460 1 18 . 1 1 85 85 MET C C 85 175.698 175.698 175.351 0.347 17551 12461 1 18 . 1 1 85 85 MET CA C 85 54.256 54.256 54.658 -0.402 17551 12462 1 18 . 1 1 85 85 MET CB C 85 35.406 35.406 36.337 -0.931 17551 12463 1 18 . 1 1 85 85 MET H H 85 8.992 8.992 8.444 0.548 17551 12464 1 18 . 1 1 86 86 GLU N N 86 125.741 125.741 122.474 3.267 17551 12465 1 18 . 1 1 86 86 GLU HA H 86 4.654 4.654 4.585 0.069 17551 12466 1 18 . 1 1 86 86 GLU C C 86 177.223 177.223 176.530 0.693 17551 12467 1 18 . 1 1 86 86 GLU CA C 86 54.213 54.213 55.638 -1.425 17551 12468 1 18 . 1 1 86 86 GLU CB C 86 31.578 31.578 29.991 1.587 17551 12469 1 18 . 1 1 86 86 GLU H H 86 9.063 9.063 9.200 -0.137 17551 12470 1 18 . 1 1 87 87 GLY N N 87 117.720 117.720 113.220 4.500 17551 12471 1 18 . 1 1 87 87 GLY C C 87 175.275 175.275 175.391 -0.116 17551 12472 1 18 . 1 1 87 87 GLY CA C 87 46.902 46.902 44.908 1.994 17551 12473 1 18 . 1 1 87 87 GLY H H 87 9.300 9.300 8.963 0.337 17551 12474 1 18 . 1 1 88 88 GLY N N 88 109.070 109.070 105.234 3.836 17551 12475 1 18 . 1 1 88 88 GLY C C 88 172.863 172.863 173.903 -1.040 17551 12476 1 18 . 1 1 88 88 GLY CA C 88 44.853 44.853 45.082 -0.229 17551 12477 1 18 . 1 1 88 88 GLY H H 88 8.739 8.739 8.402 0.337 17551 12478 1 18 . 1 1 89 89 LYS N N 89 120.150 120.150 118.652 1.498 17551 12479 1 18 . 1 1 89 89 LYS HA H 89 5.113 5.113 5.098 0.015 17551 12480 1 18 . 1 1 89 89 LYS C C 89 175.487 175.487 175.607 -0.120 17551 12481 1 18 . 1 1 89 89 LYS CA C 89 54.363 54.363 54.532 -0.169 17551 12482 1 18 . 1 1 89 89 LYS CB C 89 33.753 33.753 34.754 -1.001 17551 12483 1 18 . 1 1 89 89 LYS H H 89 7.853 7.853 7.514 0.339 17551 12484 1 18 . 1 1 90 90 ILE N N 90 124.537 124.537 126.481 -1.944 17551 12485 1 18 . 1 1 90 90 ILE HA H 90 4.489 4.489 4.410 0.079 17551 12486 1 18 . 1 1 90 90 ILE C C 90 175.679 175.679 174.798 0.881 17551 12487 1 18 . 1 1 90 90 ILE CA C 90 60.930 60.930 61.377 -0.447 17551 12488 1 18 . 1 1 90 90 ILE CB C 90 38.367 38.367 37.477 0.890 17551 12489 1 18 . 1 1 90 90 ILE H H 90 9.081 9.081 8.943 0.138 17551 12490 1 18 . 1 1 91 91 VAL N N 91 124.871 124.871 128.667 -3.796 17551 12491 1 18 . 1 1 91 91 VAL HA H 91 4.591 4.591 5.030 -0.439 17551 12492 1 18 . 1 1 91 91 VAL C C 91 173.890 173.890 173.268 0.622 17551 12493 1 18 . 1 1 91 91 VAL CA C 91 60.743 60.743 58.860 1.883 17551 12494 1 18 . 1 1 91 91 VAL CB C 91 35.279 35.279 35.786 -0.507 17551 12495 1 18 . 1 1 91 91 VAL H H 91 8.786 8.786 8.844 -0.058 17551 12496 1 18 . 1 1 92 92 ALA N N 92 129.590 129.590 130.324 -0.734 17551 12497 1 18 . 1 1 92 92 ALA HA H 92 4.563 4.563 4.868 -0.305 17551 12498 1 18 . 1 1 92 92 ALA C C 92 173.855 173.855 175.109 -1.254 17551 12499 1 18 . 1 1 92 92 ALA CA C 92 49.864 49.864 49.913 -0.049 17551 12500 1 18 . 1 1 92 92 ALA CB C 92 21.948 21.948 22.609 -0.661 17551 12501 1 18 . 1 1 92 92 ALA H H 92 9.228 9.228 8.977 0.251 17551 12502 1 18 . 1 1 93 93 ASP N N 93 121.654 121.654 121.415 0.239 17551 12503 1 18 . 1 1 93 93 ASP HA H 93 5.342 5.342 4.797 0.545 17551 12504 1 18 . 1 1 93 93 ASP C C 93 173.521 173.521 174.551 -1.030 17551 12505 1 18 . 1 1 93 93 ASP CA C 93 53.658 53.658 53.480 0.178 17551 12506 1 18 . 1 1 93 93 ASP CB C 93 44.462 44.462 42.629 1.833 17551 12507 1 18 . 1 1 93 93 ASP H H 93 8.326 8.326 7.699 0.627 17551 12508 1 18 . 1 1 94 94 PHE N N 94 122.296 122.296 122.879 -0.583 17551 12509 1 18 . 1 1 94 94 PHE HA H 94 5.024 5.024 4.834 0.190 17551 12510 1 18 . 1 1 94 94 PHE CA C 94 53.952 53.952 55.486 -1.534 17551 12511 1 18 . 1 1 94 94 PHE CB C 94 38.958 38.958 42.637 -3.679 17551 12512 1 18 . 1 1 94 94 PHE H H 94 8.776 8.776 7.885 0.891 17551 12513 1 18 . 1 1 95 95 PRO HA H 95 4.396 4.396 4.484 -0.088 17551 12514 1 18 . 1 1 95 95 PRO C C 95 177.375 177.375 176.942 0.433 17551 12515 1 18 . 1 1 95 95 PRO CA C 95 64.386 64.386 63.960 0.426 17551 12516 1 18 . 1 1 95 95 PRO CB C 95 30.432 30.432 31.244 -0.812 17551 12517 1 18 . 1 1 96 96 ASN N N 96 120.924 120.924 120.782 0.142 17551 12518 1 18 . 1 1 96 96 ASN HA H 96 4.619 4.619 4.333 0.286 17551 12519 1 18 . 1 1 96 96 ASN C C 96 174.189 174.189 173.514 0.675 17551 12520 1 18 . 1 1 96 96 ASN CA C 96 53.442 53.442 54.385 -0.943 17551 12521 1 18 . 1 1 96 96 ASN CB C 96 38.069 38.069 37.839 0.230 17551 12522 1 18 . 1 1 96 96 ASN H H 96 9.183 9.183 9.084 0.099 17551 12523 1 18 . 1 1 97 97 TYR N N 97 120.943 120.943 118.778 2.165 17551 12524 1 18 . 1 1 97 97 TYR HA H 97 4.804 4.804 5.537 -0.733 17551 12525 1 18 . 1 1 97 97 TYR C C 97 172.713 172.713 173.503 -0.790 17551 12526 1 18 . 1 1 97 97 TYR CA C 97 59.314 59.314 57.149 2.165 17551 12527 1 18 . 1 1 97 97 TYR CB C 97 40.512 40.512 41.741 -1.229 17551 12528 1 18 . 1 1 97 97 TYR H H 97 8.066 8.066 7.555 0.511 17551 12529 1 18 . 1 1 98 98 HIS N N 98 128.370 128.370 127.834 0.536 17551 12530 1 18 . 1 1 98 98 HIS HA H 98 5.466 5.466 5.155 0.311 17551 12531 1 18 . 1 1 98 98 HIS C C 98 172.821 172.821 173.236 -0.415 17551 12532 1 18 . 1 1 98 98 HIS CA C 98 54.311 54.311 54.899 -0.588 17551 12533 1 18 . 1 1 98 98 HIS CB C 98 31.053 31.053 32.677 -1.624 17551 12534 1 18 . 1 1 98 98 HIS H H 98 8.786 8.786 8.509 0.277 17551 12535 1 18 . 1 1 99 99 HIS N N 99 130.146 130.146 129.998 0.148 17551 12536 1 18 . 1 1 99 99 HIS HA H 99 5.689 5.689 5.891 -0.203 17551 12537 1 18 . 1 1 99 99 HIS C C 99 173.405 173.405 174.163 -0.758 17551 12538 1 18 . 1 1 99 99 HIS CA C 99 55.101 55.101 53.960 1.141 17551 12539 1 18 . 1 1 99 99 HIS CB C 99 34.888 34.888 32.166 2.722 17551 12540 1 18 . 1 1 99 99 HIS H H 99 8.963 8.963 8.291 0.672 17551 12541 1 18 . 1 1 100 100 THR N N 100 117.843 117.843 119.935 -2.092 17551 12542 1 18 . 1 1 100 100 THR HA H 100 5.597 5.597 5.407 0.190 17551 12543 1 18 . 1 1 100 100 THR C C 100 172.563 172.563 172.542 0.021 17551 12544 1 18 . 1 1 100 100 THR CA C 100 57.863 57.863 59.878 -2.015 17551 12545 1 18 . 1 1 100 100 THR CB C 100 71.830 71.830 71.421 0.409 17551 12546 1 18 . 1 1 100 100 THR H H 100 8.871 8.871 8.618 0.253 17551 12547 1 18 . 1 1 101 101 ALA N N 101 121.591 121.591 126.821 -5.230 17551 12548 1 18 . 1 1 101 101 ALA HA H 101 5.318 5.318 5.392 -0.074 17551 12549 1 18 . 1 1 101 101 ALA C C 101 175.540 175.540 175.589 -0.049 17551 12550 1 18 . 1 1 101 101 ALA CA C 101 50.320 50.320 49.923 0.397 17551 12551 1 18 . 1 1 101 101 ALA CB C 101 22.819 22.819 22.167 0.652 17551 12552 1 18 . 1 1 101 101 ALA H H 101 8.825 8.825 9.119 -0.294 17551 12553 1 18 . 1 1 102 102 GLU N N 102 118.491 118.491 119.538 -1.047 17551 12554 1 18 . 1 1 102 102 GLU HA H 102 5.194 5.194 4.960 0.234 17551 12555 1 18 . 1 1 102 102 GLU C C 102 172.497 172.497 174.007 -1.510 17551 12556 1 18 . 1 1 102 102 GLU CA C 102 53.879 53.879 55.070 -1.191 17551 12557 1 18 . 1 1 102 102 GLU H H 102 8.785 8.785 8.419 0.366 17551 12558 1 18 . 1 1 103 103 ILE N N 103 121.813 121.813 121.241 0.572 17551 12559 1 18 . 1 1 103 103 ILE HA H 103 5.129 5.129 5.024 0.105 17551 12560 1 18 . 1 1 103 103 ILE C C 103 177.119 177.119 176.052 1.067 17551 12561 1 18 . 1 1 103 103 ILE CA C 103 56.631 56.631 59.211 -2.580 17551 12562 1 18 . 1 1 103 103 ILE CB C 103 34.564 34.564 37.996 -3.432 17551 12563 1 18 . 1 1 103 103 ILE H H 103 8.442 8.442 8.580 -0.138 17551 12564 1 18 . 1 1 104 104 SER N N 104 122.295 122.295 123.491 -1.196 17551 12565 1 18 . 1 1 104 104 SER HA H 104 4.783 4.783 4.648 0.135 17551 12566 1 18 . 1 1 104 104 SER CA C 104 55.521 55.521 57.047 -1.526 17551 12567 1 18 . 1 1 104 104 SER CB C 104 63.426 63.426 62.945 0.481 17551 12568 1 18 . 1 1 104 104 SER H H 104 9.119 9.119 9.017 0.102 17551 12569 1 18 . 1 1 105 105 GLY C C 105 175.730 175.730 174.832 0.898 17551 12570 1 18 . 1 1 105 105 GLY CA C 105 46.925 46.925 44.975 1.950 17551 12571 1 18 . 1 1 106 106 GLY N N 106 105.123 105.123 104.709 0.414 17551 12572 1 18 . 1 1 106 106 GLY C C 106 173.229 173.229 173.219 0.010 17551 12573 1 18 . 1 1 106 106 GLY CA C 106 44.771 44.771 44.890 -0.119 17551 12574 1 18 . 1 1 106 106 GLY H H 106 8.476 8.476 8.416 0.060 17551 12575 1 18 . 1 1 107 107 LYS N N 107 119.187 119.187 118.680 0.507 17551 12576 1 18 . 1 1 107 107 LYS HA H 107 4.856 4.856 4.818 0.038 17551 12577 1 18 . 1 1 107 107 LYS C C 107 174.072 174.072 174.578 -0.506 17551 12578 1 18 . 1 1 107 107 LYS CA C 107 54.240 54.240 55.002 -0.762 17551 12579 1 18 . 1 1 107 107 LYS CB C 107 34.508 34.508 35.814 -1.306 17551 12580 1 18 . 1 1 107 107 LYS H H 107 7.639 7.639 6.967 0.672 17551 12581 1 18 . 1 1 108 108 LEU N N 108 122.725 122.725 126.357 -3.632 17551 12582 1 18 . 1 1 108 108 LEU HA H 108 4.793 4.793 4.950 -0.157 17551 12583 1 18 . 1 1 108 108 LEU C C 108 174.906 174.906 174.683 0.223 17551 12584 1 18 . 1 1 108 108 LEU CA C 108 54.275 54.275 54.066 0.208 17551 12585 1 18 . 1 1 108 108 LEU CB C 108 42.801 42.801 42.827 -0.026 17551 12586 1 18 . 1 1 108 108 LEU H H 108 8.481 8.481 8.772 -0.291 17551 12587 1 18 . 1 1 109 109 VAL N N 109 130.844 130.844 127.212 3.632 17551 12588 1 18 . 1 1 109 109 VAL HA H 109 4.953 4.953 5.065 -0.112 17551 12589 1 18 . 1 1 109 109 VAL C C 109 176.004 176.004 173.795 2.209 17551 12590 1 18 . 1 1 109 109 VAL CA C 109 61.541 61.541 59.386 2.155 17551 12591 1 18 . 1 1 109 109 VAL CB C 109 32.721 32.721 34.648 -1.927 17551 12592 1 18 . 1 1 109 109 VAL H H 109 9.391 9.391 9.017 0.374 17551 12593 1 18 . 1 1 110 110 GLU N N 110 130.618 130.618 129.012 1.606 17551 12594 1 18 . 1 1 110 110 GLU HA H 110 5.393 5.393 5.090 0.303 17551 12595 1 18 . 1 1 110 110 GLU C C 110 175.537 175.537 175.266 0.271 17551 12596 1 18 . 1 1 110 110 GLU CA C 110 53.476 53.476 54.608 -1.132 17551 12597 1 18 . 1 1 110 110 GLU H H 110 9.386 9.386 8.522 0.864 17551 12598 1 18 . 1 1 111 111 ILE N N 111 126.952 126.952 126.357 0.595 17551 12599 1 18 . 1 1 111 111 ILE HA H 111 4.910 4.910 4.831 0.079 17551 12600 1 18 . 1 1 111 111 ILE C C 111 175.156 175.156 174.851 0.305 17551 12601 1 18 . 1 1 111 111 ILE CA C 111 59.562 59.562 59.605 -0.043 17551 12602 1 18 . 1 1 111 111 ILE CB C 111 39.029 39.029 40.485 -1.456 17551 12603 1 18 . 1 1 111 111 ILE H H 111 8.912 8.912 8.860 0.052 17551 12604 1 18 . 1 1 112 112 SER N N 112 125.389 125.389 123.475 1.914 17551 12605 1 18 . 1 1 112 112 SER HA H 112 5.524 5.524 5.477 0.047 17551 12606 1 18 . 1 1 112 112 SER C C 112 172.120 172.120 174.094 -1.974 17551 12607 1 18 . 1 1 112 112 SER CA C 112 55.756 55.756 56.635 -0.879 17551 12608 1 18 . 1 1 112 112 SER CB C 112 64.025 64.025 64.172 -0.147 17551 12609 1 18 . 1 1 112 112 SER H H 112 9.495 9.495 8.942 0.553 17551 12610 1 18 . 1 1 113 113 THR N N 113 119.329 119.329 123.348 -4.019 17551 12611 1 18 . 1 1 113 113 THR HA H 113 5.633 5.633 5.088 0.545 17551 12612 1 18 . 1 1 113 113 THR C C 113 174.911 174.911 174.227 0.684 17551 12613 1 18 . 1 1 113 113 THR CA C 113 60.362 60.362 61.788 -1.426 17551 12614 1 18 . 1 1 113 113 THR CB C 113 70.377 70.377 69.719 0.658 17551 12615 1 18 . 1 1 113 113 THR H H 113 9.274 9.274 9.017 0.257 17551 12616 1 18 . 1 1 114 114 SER N N 114 121.027 121.027 122.038 -1.011 17551 12617 1 18 . 1 1 114 114 SER HA H 114 4.479 4.479 5.397 -0.918 17551 12618 1 18 . 1 1 114 114 SER C C 114 174.507 174.507 174.865 -0.358 17551 12619 1 18 . 1 1 114 114 SER CA C 114 57.423 57.423 56.850 0.573 17551 12620 1 18 . 1 1 114 114 SER CB C 114 64.798 64.798 64.903 -0.105 17551 12621 1 18 . 1 1 114 114 SER H H 114 8.657 8.657 8.938 -0.281 17551 12622 1 18 . 1 1 115 115 SER N N 115 122.405 122.405 120.775 1.630 17551 12623 1 18 . 1 1 115 115 SER HA H 115 4.092 4.092 4.160 -0.068 17551 12624 1 18 . 1 1 115 115 SER C C 115 174.387 174.387 174.417 -0.030 17551 12625 1 18 . 1 1 115 115 SER CA C 115 58.417 58.417 59.774 -1.357 17551 12626 1 18 . 1 1 115 115 SER CB C 115 61.860 61.860 61.703 0.157 17551 12627 1 18 . 1 1 115 115 SER H H 115 9.265 9.265 9.174 0.091 17551 12628 1 18 . 1 1 116 116 GLY N N 116 103.741 103.741 104.272 -0.531 17551 12629 1 18 . 1 1 116 116 GLY C C 116 173.618 173.618 174.048 -0.430 17551 12630 1 18 . 1 1 116 116 GLY CA C 116 44.584 44.584 44.596 -0.013 17551 12631 1 18 . 1 1 116 116 GLY H H 116 8.730 8.730 8.261 0.469 17551 12632 1 18 . 1 1 117 117 VAL N N 117 123.819 123.819 125.541 -1.722 17551 12633 1 18 . 1 1 117 117 VAL HA H 117 4.242 4.242 4.019 0.223 17551 12634 1 18 . 1 1 117 117 VAL C C 117 173.712 173.712 175.208 -1.496 17551 12635 1 18 . 1 1 117 117 VAL CA C 117 61.946 61.946 63.233 -1.286 17551 12636 1 18 . 1 1 117 117 VAL CB C 117 32.244 32.244 31.920 0.324 17551 12637 1 18 . 1 1 117 117 VAL H H 117 8.177 8.177 7.856 0.321 17551 12638 1 18 . 1 1 118 118 VAL N N 118 127.074 127.074 129.392 -2.318 17551 12639 1 18 . 1 1 118 118 VAL HA H 118 4.519 4.519 4.027 0.492 17551 12640 1 18 . 1 1 118 118 VAL C C 118 174.793 174.793 174.789 0.004 17551 12641 1 18 . 1 1 118 118 VAL CA C 118 61.227 61.227 61.879 -0.652 17551 12642 1 18 . 1 1 118 118 VAL CB C 118 32.503 32.503 31.345 1.158 17551 12643 1 18 . 1 1 118 118 VAL H H 118 8.441 8.441 8.513 -0.072 17551 12644 1 18 . 1 1 119 119 TYR N N 119 131.178 131.178 130.720 0.458 17551 12645 1 18 . 1 1 119 119 TYR HA H 119 5.095 5.095 4.668 0.427 17551 12646 1 18 . 1 1 119 119 TYR C C 119 173.029 173.029 174.102 -1.073 17551 12647 1 18 . 1 1 119 119 TYR CA C 119 54.862 54.862 56.560 -1.698 17551 12648 1 18 . 1 1 119 119 TYR CB C 119 40.213 40.213 41.028 -0.815 17551 12649 1 18 . 1 1 119 119 TYR H H 119 9.315 9.315 8.928 0.387 17551 12650 1 18 . 1 1 120 120 LYS N N 120 126.654 126.654 125.405 1.249 17551 12651 1 18 . 1 1 120 120 LYS HA H 120 4.922 4.922 4.995 -0.073 17551 12652 1 18 . 1 1 120 120 LYS C C 120 173.813 173.813 174.278 -0.465 17551 12653 1 18 . 1 1 120 120 LYS CA C 120 53.685 53.685 54.541 -0.856 17551 12654 1 18 . 1 1 120 120 LYS CB C 120 36.014 36.014 36.648 -0.634 17551 12655 1 18 . 1 1 120 120 LYS H H 120 7.342 7.342 8.492 -1.150 17551 12656 1 18 . 1 1 121 121 ARG N N 121 124.124 124.124 122.289 1.835 17551 12657 1 18 . 1 1 121 121 ARG HA H 121 4.798 4.798 4.777 0.021 17551 12658 1 18 . 1 1 121 121 ARG C C 121 174.874 174.874 174.712 0.162 17551 12659 1 18 . 1 1 121 121 ARG CB C 121 34.257 34.257 32.298 1.959 17551 12660 1 18 . 1 1 121 121 ARG H H 121 9.087 9.087 8.507 0.580 17551 12661 1 18 . 1 1 122 122 THR N N 122 122.859 122.859 122.929 -0.070 17551 12662 1 18 . 1 1 122 122 THR HA H 122 5.224 5.224 5.272 -0.048 17551 12663 1 18 . 1 1 122 122 THR C C 122 174.321 174.321 174.043 0.278 17551 12664 1 18 . 1 1 122 122 THR CA C 122 62.177 62.177 61.495 0.682 17551 12665 1 18 . 1 1 122 122 THR CB C 122 69.459 69.459 70.410 -0.951 17551 12666 1 18 . 1 1 122 122 THR H H 122 9.358 9.358 8.975 0.383 17551 12667 1 18 . 1 1 123 123 SER N N 123 123.389 123.389 122.432 0.957 17551 12668 1 18 . 1 1 123 123 SER HA H 123 5.196 5.196 5.320 -0.124 17551 12669 1 18 . 1 1 123 123 SER C C 123 172.464 172.464 173.474 -1.010 17551 12670 1 18 . 1 1 123 123 SER CA C 123 57.571 57.571 57.245 0.326 17551 12671 1 18 . 1 1 123 123 SER CB C 123 65.697 65.697 66.112 -0.415 17551 12672 1 18 . 1 1 123 123 SER H H 123 9.749 9.749 9.305 0.444 17551 12673 1 18 . 1 1 124 124 LYS N N 124 125.058 125.058 123.053 2.005 17551 12674 1 18 . 1 1 124 124 LYS HA H 124 4.681 4.681 4.470 0.211 17551 12675 1 18 . 1 1 124 124 LYS C C 124 175.141 175.141 175.720 -0.579 17551 12676 1 18 . 1 1 124 124 LYS CA C 124 54.444 54.444 55.871 -1.427 17551 12677 1 18 . 1 1 124 124 LYS CB C 124 33.492 33.492 33.695 -0.203 17551 12678 1 18 . 1 1 124 124 LYS H H 124 8.808 8.808 8.718 0.090 17551 12679 1 18 . 1 1 125 125 LYS N N 125 126.114 126.114 123.451 2.663 17551 12680 1 18 . 1 1 125 125 LYS HA H 125 4.367 4.367 4.782 -0.415 17551 12681 1 18 . 1 1 125 125 LYS C C 125 176.828 176.828 175.473 1.355 17551 12682 1 18 . 1 1 125 125 LYS CA C 125 56.752 56.752 55.095 1.657 17551 12683 1 18 . 1 1 125 125 LYS CB C 125 32.912 32.912 32.715 0.197 17551 12684 1 18 . 1 1 125 125 LYS H H 125 9.215 9.215 8.495 0.720 17551 12685 1 18 . 1 1 126 126 ILE N N 126 125.207 125.207 124.462 0.745 17551 12686 1 18 . 1 1 126 126 ILE HA H 126 4.302 4.302 4.553 -0.251 17551 12687 1 18 . 1 1 126 126 ILE C C 126 175.240 175.240 173.685 1.555 17551 12688 1 18 . 1 1 126 126 ILE CA C 126 60.067 60.067 59.647 0.421 17551 12689 1 18 . 1 1 126 126 ILE CB C 126 38.611 38.611 41.816 -3.205 17551 12690 1 18 . 1 1 126 126 ILE H H 126 8.777 8.777 8.708 0.069 17551 12691 1 19 . 1 1 2 2 PHE N N 2 114.421 114.421 119.724 -5.303 17551 12692 1 19 . 1 1 2 2 PHE HA H 2 4.205 4.205 4.764 -0.559 17551 12693 1 19 . 1 1 2 2 PHE C C 2 177.675 177.675 176.807 0.868 17551 12694 1 19 . 1 1 2 2 PHE CA C 2 59.748 59.748 57.821 1.927 17551 12695 1 19 . 1 1 2 2 PHE CB C 2 41.014 41.014 39.535 1.479 17551 12696 1 19 . 1 1 2 2 PHE H H 2 9.501 9.501 8.546 0.955 17551 12697 1 19 . 1 1 3 3 THR N N 3 118.304 118.304 116.185 2.119 17551 12698 1 19 . 1 1 3 3 THR HA H 3 4.021 4.021 4.355 -0.334 17551 12699 1 19 . 1 1 3 3 THR C C 3 173.811 173.811 174.591 -0.780 17551 12700 1 19 . 1 1 3 3 THR CA C 3 63.646 63.646 63.770 -0.124 17551 12701 1 19 . 1 1 3 3 THR CB C 3 69.230 69.230 69.029 0.201 17551 12702 1 19 . 1 1 3 3 THR H H 3 7.721 7.721 7.934 -0.213 17551 12703 1 19 . 1 1 4 4 GLY N N 4 113.320 113.320 111.600 1.720 17551 12704 1 19 . 1 1 4 4 GLY C C 4 169.382 169.382 171.883 -2.501 17551 12705 1 19 . 1 1 4 4 GLY CA C 4 44.343 44.343 44.428 -0.085 17551 12706 1 19 . 1 1 4 4 GLY H H 4 8.881 8.881 8.739 0.142 17551 12707 1 19 . 1 1 5 5 LYS N N 5 120.330 120.330 120.343 -0.013 17551 12708 1 19 . 1 1 5 5 LYS HA H 5 5.255 5.255 5.200 0.055 17551 12709 1 19 . 1 1 5 5 LYS C C 5 174.306 174.306 174.856 -0.550 17551 12710 1 19 . 1 1 5 5 LYS CA C 5 54.232 54.232 54.473 -0.241 17551 12711 1 19 . 1 1 5 5 LYS CB C 5 35.137 35.137 35.081 0.056 17551 12712 1 19 . 1 1 5 5 LYS H H 5 7.914 7.914 7.949 -0.035 17551 12713 1 19 . 1 1 6 6 TYR N N 6 122.260 122.260 122.306 -0.046 17551 12714 1 19 . 1 1 6 6 TYR HA H 6 5.617 5.617 5.863 -0.246 17551 12715 1 19 . 1 1 6 6 TYR C C 6 174.519 174.519 175.487 -0.968 17551 12716 1 19 . 1 1 6 6 TYR CA C 6 55.158 55.158 56.102 -0.944 17551 12717 1 19 . 1 1 6 6 TYR CB C 6 41.637 41.637 42.351 -0.714 17551 12718 1 19 . 1 1 6 6 TYR H H 6 9.736 9.736 8.922 0.814 17551 12719 1 19 . 1 1 7 7 GLU N N 7 122.025 122.025 121.375 0.650 17551 12720 1 19 . 1 1 7 7 GLU HA H 7 5.096 5.096 5.213 -0.117 17551 12721 1 19 . 1 1 7 7 GLU C C 7 174.888 174.888 175.542 -0.654 17551 12722 1 19 . 1 1 7 7 GLU CA C 7 53.988 53.988 53.893 0.095 17551 12723 1 19 . 1 1 7 7 GLU CB C 7 33.716 33.716 34.549 -0.833 17551 12724 1 19 . 1 1 7 7 GLU H H 7 9.461 9.461 8.601 0.860 17551 12725 1 19 . 1 1 8 8 PHE N N 8 126.529 126.529 124.530 1.999 17551 12726 1 19 . 1 1 8 8 PHE HA H 8 4.599 4.599 4.284 0.315 17551 12727 1 19 . 1 1 8 8 PHE C C 8 172.999 172.999 174.927 -1.928 17551 12728 1 19 . 1 1 8 8 PHE CA C 8 59.847 59.847 60.142 -0.295 17551 12729 1 19 . 1 1 8 8 PHE CB C 8 40.687 40.687 39.590 1.097 17551 12730 1 19 . 1 1 8 8 PHE H H 8 7.986 7.986 8.646 -0.660 17551 12731 1 19 . 1 1 9 9 GLU N N 9 129.046 129.046 127.177 1.869 17551 12732 1 19 . 1 1 9 9 GLU HA H 9 4.306 4.306 4.246 0.060 17551 12733 1 19 . 1 1 9 9 GLU C C 9 174.528 174.528 175.277 -0.749 17551 12734 1 19 . 1 1 9 9 GLU CA C 9 56.545 56.545 56.419 0.126 17551 12735 1 19 . 1 1 9 9 GLU CB C 9 32.798 32.798 32.439 0.359 17551 12736 1 19 . 1 1 9 9 GLU H H 9 9.151 9.151 8.544 0.607 17551 12737 1 19 . 1 1 10 10 SER N N 10 111.041 111.041 112.767 -1.726 17551 12738 1 19 . 1 1 10 10 SER HA H 10 4.258 4.258 4.526 -0.268 17551 12739 1 19 . 1 1 10 10 SER C C 10 171.216 171.216 172.117 -0.901 17551 12740 1 19 . 1 1 10 10 SER CA C 10 57.930 57.930 57.324 0.606 17551 12741 1 19 . 1 1 10 10 SER CB C 10 64.720 64.720 66.256 -1.536 17551 12742 1 19 . 1 1 10 10 SER H H 10 7.612 7.612 7.802 -0.190 17551 12743 1 19 . 1 1 11 11 ASP N N 11 118.058 118.058 118.915 -0.857 17551 12744 1 19 . 1 1 11 11 ASP HA H 11 5.500 5.500 5.321 0.179 17551 12745 1 19 . 1 1 11 11 ASP C C 11 174.845 174.845 174.970 -0.125 17551 12746 1 19 . 1 1 11 11 ASP CA C 11 51.633 51.633 53.496 -1.863 17551 12747 1 19 . 1 1 11 11 ASP H H 11 8.632 8.632 8.405 0.227 17551 12748 1 19 . 1 1 12 12 GLU N N 12 117.523 117.523 119.962 -2.439 17551 12749 1 19 . 1 1 12 12 GLU HA H 12 4.782 4.782 4.634 0.148 17551 12750 1 19 . 1 1 12 12 GLU C C 12 175.293 175.293 175.708 -0.415 17551 12751 1 19 . 1 1 12 12 GLU CB C 12 33.450 33.450 33.367 0.083 17551 12752 1 19 . 1 1 12 12 GLU H H 12 8.562 8.562 9.127 -0.565 17551 12753 1 19 . 1 1 13 13 ASN N N 13 118.877 118.877 121.740 -2.863 17551 12754 1 19 . 1 1 13 13 ASN HA H 13 4.742 4.742 4.493 0.249 17551 12755 1 19 . 1 1 13 13 ASN C C 13 175.303 175.303 175.147 0.156 17551 12756 1 19 . 1 1 13 13 ASN CA C 13 53.373 53.373 54.620 -1.247 17551 12757 1 19 . 1 1 13 13 ASN CB C 13 37.207 37.207 37.417 -0.210 17551 12758 1 19 . 1 1 13 13 ASN H H 13 9.110 9.110 9.150 -0.040 17551 12759 1 19 . 1 1 14 14 TYR N N 14 118.061 118.061 120.320 -2.259 17551 12760 1 19 . 1 1 14 14 TYR HA H 14 4.015 4.015 4.005 0.010 17551 12761 1 19 . 1 1 14 14 TYR C C 14 176.581 176.581 176.679 -0.098 17551 12762 1 19 . 1 1 14 14 TYR CA C 14 62.797 62.797 63.127 -0.330 17551 12763 1 19 . 1 1 14 14 TYR CB C 14 38.998 38.998 38.551 0.447 17551 12764 1 19 . 1 1 14 14 TYR H H 14 8.731 8.731 7.902 0.829 17551 12765 1 19 . 1 1 15 15 ASP N N 15 115.317 115.317 118.240 -2.923 17551 12766 1 19 . 1 1 15 15 ASP HA H 15 4.112 4.112 4.404 -0.292 17551 12767 1 19 . 1 1 15 15 ASP C C 15 178.333 178.333 178.488 -0.155 17551 12768 1 19 . 1 1 15 15 ASP CA C 15 57.819 57.819 58.661 -0.842 17551 12769 1 19 . 1 1 15 15 ASP CB C 15 40.410 40.410 40.031 0.379 17551 12770 1 19 . 1 1 15 15 ASP H H 15 8.316 8.316 9.061 -0.745 17551 12771 1 19 . 1 1 16 16 ASP N N 16 117.774 117.774 119.691 -1.917 17551 12772 1 19 . 1 1 16 16 ASP HA H 16 4.392 4.392 4.443 -0.051 17551 12773 1 19 . 1 1 16 16 ASP C C 16 178.597 178.597 177.944 0.653 17551 12774 1 19 . 1 1 16 16 ASP CA C 16 56.348 56.348 57.659 -1.311 17551 12775 1 19 . 1 1 16 16 ASP CB C 16 39.883 39.883 41.015 -1.132 17551 12776 1 19 . 1 1 16 16 ASP H H 16 8.449 8.449 8.293 0.156 17551 12777 1 19 . 1 1 17 17 PHE N N 17 120.363 120.363 121.009 -0.646 17551 12778 1 19 . 1 1 17 17 PHE HA H 17 4.068 4.068 4.120 -0.052 17551 12779 1 19 . 1 1 17 17 PHE C C 17 176.755 176.755 176.840 -0.085 17551 12780 1 19 . 1 1 17 17 PHE CA C 17 61.840 61.840 61.158 0.682 17551 12781 1 19 . 1 1 17 17 PHE CB C 17 39.794 39.794 39.070 0.724 17551 12782 1 19 . 1 1 17 17 PHE H H 17 7.931 7.931 7.946 -0.015 17551 12783 1 19 . 1 1 18 18 VAL N N 18 110.180 110.180 117.301 -7.121 17551 12784 1 19 . 1 1 18 18 VAL HA H 18 3.595 3.595 3.444 0.151 17551 12785 1 19 . 1 1 18 18 VAL C C 18 178.434 178.434 177.720 0.714 17551 12786 1 19 . 1 1 18 18 VAL CA C 18 64.697 64.697 66.745 -2.047 17551 12787 1 19 . 1 1 18 18 VAL CB C 18 29.602 29.602 31.341 -1.739 17551 12788 1 19 . 1 1 18 18 VAL H H 18 8.294 8.294 8.377 -0.083 17551 12789 1 19 . 1 1 19 19 LYS N N 19 119.749 119.749 117.480 2.269 17551 12790 1 19 . 1 1 19 19 LYS HA H 19 4.108 4.108 4.086 0.022 17551 12791 1 19 . 1 1 19 19 LYS C C 19 179.796 179.796 178.630 1.166 17551 12792 1 19 . 1 1 19 19 LYS CA C 19 58.320 58.320 57.988 0.332 17551 12793 1 19 . 1 1 19 19 LYS CB C 19 31.918 31.918 32.059 -0.141 17551 12794 1 19 . 1 1 19 19 LYS H H 19 7.382 7.382 8.049 -0.667 17551 12795 1 19 . 1 1 20 20 LYS N N 20 121.187 121.187 119.833 1.354 17551 12796 1 19 . 1 1 20 20 LYS HA H 20 4.071 4.071 4.152 -0.081 17551 12797 1 19 . 1 1 20 20 LYS C C 20 179.071 179.071 178.393 0.678 17551 12798 1 19 . 1 1 20 20 LYS CA C 20 57.347 57.347 58.082 -0.735 17551 12799 1 19 . 1 1 20 20 LYS CB C 20 30.633 30.633 32.431 -1.798 17551 12800 1 19 . 1 1 20 20 LYS H H 20 7.718 7.718 7.144 0.574 17551 12801 1 19 . 1 1 21 21 ILE N N 21 109.363 109.363 112.549 -3.186 17551 12802 1 19 . 1 1 21 21 ILE HA H 21 4.212 4.212 3.984 0.228 17551 12803 1 19 . 1 1 21 21 ILE C C 21 176.366 176.366 176.383 -0.017 17551 12804 1 19 . 1 1 21 21 ILE CA C 21 61.610 61.610 61.833 -0.223 17551 12805 1 19 . 1 1 21 21 ILE CB C 21 36.968 36.968 38.163 -1.195 17551 12806 1 19 . 1 1 21 21 ILE H H 21 7.591 7.591 7.700 -0.109 17551 12807 1 19 . 1 1 22 22 GLY N N 22 107.961 107.961 108.359 -0.398 17551 12808 1 19 . 1 1 22 22 GLY C C 22 174.877 174.877 174.522 0.355 17551 12809 1 19 . 1 1 22 22 GLY CA C 22 45.510 45.510 44.696 0.814 17551 12810 1 19 . 1 1 22 22 GLY H H 22 7.260 7.260 7.528 -0.268 17551 12811 1 19 . 1 1 23 23 LEU N N 23 120.597 120.597 122.475 -1.878 17551 12812 1 19 . 1 1 23 23 LEU HA H 23 4.207 4.207 4.362 -0.155 17551 12813 1 19 . 1 1 23 23 LEU CA C 23 52.923 52.923 53.499 -0.576 17551 12814 1 19 . 1 1 23 23 LEU CB C 23 42.241 42.241 42.737 -0.496 17551 12815 1 19 . 1 1 23 23 LEU H H 23 7.314 7.314 7.753 -0.439 17551 12816 1 19 . 1 1 24 24 PRO HA H 24 4.537 4.537 4.504 0.033 17551 12817 1 19 . 1 1 24 24 PRO C C 24 177.702 177.702 177.321 0.381 17551 12818 1 19 . 1 1 24 24 PRO CA C 24 61.891 61.891 62.344 -0.453 17551 12819 1 19 . 1 1 24 24 PRO CB C 24 32.260 32.260 32.666 -0.406 17551 12820 1 19 . 1 1 25 25 ALA N N 25 123.142 123.142 127.731 -4.589 17551 12821 1 19 . 1 1 25 25 ALA HA H 25 3.935 3.935 4.007 -0.072 17551 12822 1 19 . 1 1 25 25 ALA C C 25 179.461 179.461 179.341 0.120 17551 12823 1 19 . 1 1 25 25 ALA CA C 25 55.314 55.314 55.517 -0.202 17551 12824 1 19 . 1 1 25 25 ALA CB C 25 18.220 18.220 18.471 -0.251 17551 12825 1 19 . 1 1 25 25 ALA H H 25 8.738 8.738 8.719 0.019 17551 12826 1 19 . 1 1 26 26 ASP N N 26 115.440 115.440 117.980 -2.540 17551 12827 1 19 . 1 1 26 26 ASP HA H 26 4.379 4.379 4.345 0.034 17551 12828 1 19 . 1 1 26 26 ASP C C 26 179.291 179.291 178.777 0.514 17551 12829 1 19 . 1 1 26 26 ASP CA C 26 56.015 56.015 57.598 -1.583 17551 12830 1 19 . 1 1 26 26 ASP CB C 26 38.136 38.136 40.189 -2.053 17551 12831 1 19 . 1 1 26 26 ASP H H 26 8.971 8.971 8.845 0.126 17551 12832 1 19 . 1 1 27 27 LYS N N 27 122.292 122.292 118.987 3.305 17551 12833 1 19 . 1 1 27 27 LYS HA H 27 4.160 4.160 4.333 -0.173 17551 12834 1 19 . 1 1 27 27 LYS C C 27 177.758 177.758 178.692 -0.934 17551 12835 1 19 . 1 1 27 27 LYS CA C 27 58.022 58.022 57.147 0.875 17551 12836 1 19 . 1 1 27 27 LYS CB C 27 31.334 31.334 32.380 -1.046 17551 12837 1 19 . 1 1 27 27 LYS H H 27 7.434 7.434 7.519 -0.085 17551 12838 1 19 . 1 1 28 28 ILE N N 28 119.737 119.737 121.873 -2.136 17551 12839 1 19 . 1 1 28 28 ILE HA H 28 3.586 3.586 3.764 -0.178 17551 12840 1 19 . 1 1 28 28 ILE C C 28 180.386 180.386 177.758 2.628 17551 12841 1 19 . 1 1 28 28 ILE CA C 28 65.027 65.027 65.569 -0.542 17551 12842 1 19 . 1 1 28 28 ILE CB C 28 37.002 37.002 37.873 -0.871 17551 12843 1 19 . 1 1 28 28 ILE H H 28 8.016 8.016 8.596 -0.580 17551 12844 1 19 . 1 1 29 29 GLU N N 29 117.216 117.216 116.804 0.412 17551 12845 1 19 . 1 1 29 29 GLU HA H 29 4.294 4.294 4.010 0.284 17551 12846 1 19 . 1 1 29 29 GLU C C 29 179.024 179.024 178.912 0.112 17551 12847 1 19 . 1 1 29 29 GLU CA C 29 58.139 58.139 58.602 -0.463 17551 12848 1 19 . 1 1 29 29 GLU CB C 29 28.028 28.028 29.474 -1.446 17551 12849 1 19 . 1 1 29 29 GLU H H 29 7.755 7.755 8.224 -0.469 17551 12850 1 19 . 1 1 30 30 MET N N 30 119.183 119.183 120.052 -0.869 17551 12851 1 19 . 1 1 30 30 MET HA H 30 4.194 4.194 4.345 -0.151 17551 12852 1 19 . 1 1 30 30 MET C C 30 177.683 177.683 176.970 0.713 17551 12853 1 19 . 1 1 30 30 MET CA C 30 58.150 58.150 56.548 1.602 17551 12854 1 19 . 1 1 30 30 MET CB C 30 33.162 33.162 32.865 0.297 17551 12855 1 19 . 1 1 30 30 MET H H 30 7.659 7.659 7.656 0.003 17551 12856 1 19 . 1 1 31 31 GLY N N 31 102.603 102.603 103.483 -0.880 17551 12857 1 19 . 1 1 31 31 GLY C C 31 172.264 172.264 172.921 -0.657 17551 12858 1 19 . 1 1 31 31 GLY CA C 31 45.433 45.433 44.504 0.929 17551 12859 1 19 . 1 1 31 31 GLY H H 31 7.839 7.839 8.420 -0.581 17551 12860 1 19 . 1 1 32 32 ARG N N 32 121.453 121.453 121.650 -0.197 17551 12861 1 19 . 1 1 32 32 ARG HA H 32 3.072 3.072 3.961 -0.888 17551 12862 1 19 . 1 1 32 32 ARG C C 32 175.932 175.932 175.691 0.241 17551 12863 1 19 . 1 1 32 32 ARG CA C 32 56.894 56.894 55.849 1.045 17551 12864 1 19 . 1 1 32 32 ARG CB C 32 29.004 29.004 30.080 -1.076 17551 12865 1 19 . 1 1 32 32 ARG H H 32 6.954 6.954 7.294 -0.340 17551 12866 1 19 . 1 1 33 33 ASN N N 33 127.905 127.905 118.040 9.865 17551 12867 1 19 . 1 1 33 33 ASN HA H 33 4.066 4.066 3.888 0.178 17551 12868 1 19 . 1 1 33 33 ASN C C 33 173.939 173.939 173.923 0.016 17551 12869 1 19 . 1 1 33 33 ASN CA C 33 53.539 53.539 53.715 -0.176 17551 12870 1 19 . 1 1 33 33 ASN CB C 33 37.017 37.017 37.432 -0.415 17551 12871 1 19 . 1 1 33 33 ASN H H 33 8.990 8.990 8.170 0.820 17551 12872 1 19 . 1 1 34 34 CYS N N 34 116.649 116.649 117.963 -1.314 17551 12873 1 19 . 1 1 34 34 CYS HA H 34 4.018 4.018 4.310 -0.292 17551 12874 1 19 . 1 1 34 34 CYS C C 34 175.384 175.384 174.791 0.593 17551 12875 1 19 . 1 1 34 34 CYS CA C 34 57.216 57.216 58.645 -1.429 17551 12876 1 19 . 1 1 34 34 CYS CB C 34 27.200 27.200 29.165 -1.965 17551 12877 1 19 . 1 1 34 34 CYS H H 34 7.443 7.443 7.396 0.047 17551 12878 1 19 . 1 1 35 35 LYS N N 35 130.727 130.727 123.288 7.439 17551 12879 1 19 . 1 1 35 35 LYS HA H 35 4.296 4.296 4.404 -0.108 17551 12880 1 19 . 1 1 35 35 LYS C C 35 175.272 175.272 175.245 0.027 17551 12881 1 19 . 1 1 35 35 LYS CA C 35 55.577 55.577 56.036 -0.459 17551 12882 1 19 . 1 1 35 35 LYS CB C 35 29.487 29.487 31.532 -2.045 17551 12883 1 19 . 1 1 35 35 LYS H H 35 8.691 8.691 8.352 0.339 17551 12884 1 19 . 1 1 36 36 ILE N N 36 125.658 125.658 125.399 0.259 17551 12885 1 19 . 1 1 36 36 ILE HA H 36 4.010 4.010 4.628 -0.618 17551 12886 1 19 . 1 1 36 36 ILE C C 36 177.115 177.115 176.021 1.094 17551 12887 1 19 . 1 1 36 36 ILE CA C 36 62.608 62.608 58.447 4.161 17551 12888 1 19 . 1 1 36 36 ILE CB C 36 39.739 39.739 37.867 1.871 17551 12889 1 19 . 1 1 36 36 ILE H H 36 7.658 7.658 7.971 -0.313 17551 12890 1 19 . 1 1 37 37 VAL N N 37 130.730 130.730 128.496 2.234 17551 12891 1 19 . 1 1 37 37 VAL HA H 37 5.105 5.105 5.212 -0.107 17551 12892 1 19 . 1 1 37 37 VAL C C 37 175.295 175.295 176.285 -0.990 17551 12893 1 19 . 1 1 37 37 VAL CA C 37 60.845 60.845 60.435 0.409 17551 12894 1 19 . 1 1 37 37 VAL CB C 37 33.716 33.716 32.893 0.823 17551 12895 1 19 . 1 1 37 37 VAL H H 37 7.909 7.909 8.783 -0.874 17551 12896 1 19 . 1 1 38 38 THR N N 38 127.066 127.066 124.237 2.829 17551 12897 1 19 . 1 1 38 38 THR HA H 38 5.405 5.405 5.247 0.158 17551 12898 1 19 . 1 1 38 38 THR C C 38 174.035 174.035 173.858 0.177 17551 12899 1 19 . 1 1 38 38 THR CA C 38 61.303 61.303 61.166 0.137 17551 12900 1 19 . 1 1 38 38 THR CB C 38 70.474 70.474 69.394 1.079 17551 12901 1 19 . 1 1 38 38 THR H H 38 9.393 9.393 9.328 0.065 17551 12902 1 19 . 1 1 39 39 GLU N N 39 126.804 126.804 128.698 -1.894 17551 12903 1 19 . 1 1 39 39 GLU HA H 39 5.216 5.216 4.629 0.587 17551 12904 1 19 . 1 1 39 39 GLU C C 39 174.379 174.379 174.917 -0.538 17551 12905 1 19 . 1 1 39 39 GLU CA C 39 54.232 54.232 55.811 -1.579 17551 12906 1 19 . 1 1 39 39 GLU CB C 39 32.531 32.531 30.834 1.698 17551 12907 1 19 . 1 1 39 39 GLU H H 39 9.728 9.728 8.965 0.763 17551 12908 1 19 . 1 1 40 40 VAL N N 40 125.405 125.405 126.169 -0.764 17551 12909 1 19 . 1 1 40 40 VAL HA H 40 4.859 4.859 5.213 -0.354 17551 12910 1 19 . 1 1 40 40 VAL C C 40 176.139 176.139 175.251 0.888 17551 12911 1 19 . 1 1 40 40 VAL CA C 40 60.091 60.091 60.765 -0.674 17551 12912 1 19 . 1 1 40 40 VAL CB C 40 33.952 33.952 33.843 0.109 17551 12913 1 19 . 1 1 40 40 VAL H H 40 9.326 9.326 8.878 0.448 17551 12914 1 19 . 1 1 41 41 VAL N N 41 127.197 127.197 127.394 -0.197 17551 12915 1 19 . 1 1 41 41 VAL HA H 41 4.144 4.144 4.439 -0.295 17551 12916 1 19 . 1 1 41 41 VAL C C 41 173.604 173.604 174.122 -0.518 17551 12917 1 19 . 1 1 41 41 VAL CA C 41 62.522 62.522 60.569 1.954 17551 12918 1 19 . 1 1 41 41 VAL CB C 41 33.757 33.757 34.791 -1.034 17551 12919 1 19 . 1 1 41 41 VAL H H 41 8.811 8.811 8.524 0.287 17551 12920 1 19 . 1 1 42 42 GLN N N 42 130.317 130.317 126.647 3.670 17551 12921 1 19 . 1 1 42 42 GLN HA H 42 4.430 4.430 4.187 0.243 17551 12922 1 19 . 1 1 42 42 GLN C C 42 174.239 174.239 174.763 -0.524 17551 12923 1 19 . 1 1 42 42 GLN CA C 42 52.960 52.960 54.891 -1.931 17551 12924 1 19 . 1 1 42 42 GLN CB C 42 29.877 29.877 29.874 0.003 17551 12925 1 19 . 1 1 42 42 GLN H H 42 8.345 8.345 8.739 -0.394 17551 12926 1 19 . 1 1 43 43 ASN N N 43 125.513 125.513 124.726 0.787 17551 12927 1 19 . 1 1 43 43 ASN HA H 43 4.826 4.826 4.968 -0.142 17551 12928 1 19 . 1 1 43 43 ASN C C 43 175.350 175.350 175.187 0.163 17551 12929 1 19 . 1 1 43 43 ASN CA C 43 51.303 51.303 52.177 -0.874 17551 12930 1 19 . 1 1 43 43 ASN CB C 43 39.051 39.051 39.118 -0.067 17551 12931 1 19 . 1 1 43 43 ASN H H 43 8.772 8.772 8.075 0.697 17551 12932 1 19 . 1 1 44 44 GLY N N 44 115.694 115.694 112.275 3.419 17551 12933 1 19 . 1 1 44 44 GLY C C 44 173.199 173.199 173.771 -0.572 17551 12934 1 19 . 1 1 44 44 GLY CA C 44 46.964 46.964 45.671 1.293 17551 12935 1 19 . 1 1 44 44 GLY H H 44 9.187 9.187 9.232 -0.045 17551 12936 1 19 . 1 1 45 45 ASN N N 45 125.520 125.520 123.917 1.603 17551 12937 1 19 . 1 1 45 45 ASN HA H 45 4.991 4.991 4.938 0.053 17551 12938 1 19 . 1 1 45 45 ASN C C 45 173.822 173.822 173.051 0.771 17551 12939 1 19 . 1 1 45 45 ASN CA C 45 52.215 52.215 52.430 -0.215 17551 12940 1 19 . 1 1 45 45 ASN CB C 45 38.700 38.700 40.066 -1.365 17551 12941 1 19 . 1 1 45 45 ASN H H 45 8.854 8.854 8.441 0.413 17551 12942 1 19 . 1 1 46 46 ASP N N 46 120.842 120.842 120.368 0.474 17551 12943 1 19 . 1 1 46 46 ASP HA H 46 5.185 5.185 5.269 -0.084 17551 12944 1 19 . 1 1 46 46 ASP C C 46 174.705 174.705 174.294 0.411 17551 12945 1 19 . 1 1 46 46 ASP CA C 46 53.658 53.658 52.976 0.682 17551 12946 1 19 . 1 1 46 46 ASP CB C 46 41.025 41.025 41.995 -0.970 17551 12947 1 19 . 1 1 46 46 ASP H H 46 7.921 7.921 7.239 0.682 17551 12948 1 19 . 1 1 47 47 PHE N N 47 121.470 121.470 124.912 -3.442 17551 12949 1 19 . 1 1 47 47 PHE HA H 47 5.161 5.161 5.323 -0.162 17551 12950 1 19 . 1 1 47 47 PHE C C 47 177.125 177.125 175.526 1.599 17551 12951 1 19 . 1 1 47 47 PHE CA C 47 56.591 56.591 55.632 0.959 17551 12952 1 19 . 1 1 47 47 PHE CB C 47 44.035 44.035 41.961 2.074 17551 12953 1 19 . 1 1 47 47 PHE H H 47 9.263 9.263 8.384 0.879 17551 12954 1 19 . 1 1 48 48 THR N N 48 116.950 116.950 113.705 3.245 17551 12955 1 19 . 1 1 48 48 THR HA H 48 4.861 4.861 4.962 -0.101 17551 12956 1 19 . 1 1 48 48 THR C C 48 172.499 172.499 173.974 -1.475 17551 12957 1 19 . 1 1 48 48 THR CA C 48 62.943 62.943 60.798 2.144 17551 12958 1 19 . 1 1 48 48 THR CB C 48 70.360 70.360 70.709 -0.349 17551 12959 1 19 . 1 1 48 48 THR H H 48 8.831 8.831 8.376 0.455 17551 12960 1 19 . 1 1 49 49 TRP N N 49 132.266 132.266 126.335 5.931 17551 12961 1 19 . 1 1 49 49 TRP HA H 49 4.955 4.955 5.081 -0.126 17551 12962 1 19 . 1 1 49 49 TRP C C 49 175.842 175.842 174.829 1.013 17551 12963 1 19 . 1 1 49 49 TRP CA C 49 57.286 57.286 56.101 1.185 17551 12964 1 19 . 1 1 49 49 TRP CB C 49 31.894 31.894 32.687 -0.793 17551 12965 1 19 . 1 1 49 49 TRP H H 49 9.914 9.914 9.530 0.384 17551 12966 1 19 . 1 1 50 50 THR N N 50 131.707 131.707 123.714 7.993 17551 12967 1 19 . 1 1 50 50 THR HA H 50 5.928 5.928 4.768 1.160 17551 12968 1 19 . 1 1 50 50 THR C C 50 173.408 173.408 173.901 -0.493 17551 12969 1 19 . 1 1 50 50 THR CA C 50 60.993 60.993 61.775 -0.782 17551 12970 1 19 . 1 1 50 50 THR CB C 50 70.957 70.957 69.469 1.488 17551 12971 1 19 . 1 1 50 50 THR H H 50 9.524 9.524 8.489 1.035 17551 12972 1 19 . 1 1 51 51 GLN N N 51 124.680 124.680 127.417 -2.737 17551 12973 1 19 . 1 1 51 51 GLN HA H 51 5.056 5.056 5.417 -0.361 17551 12974 1 19 . 1 1 51 51 GLN C C 51 175.328 175.328 175.333 -0.005 17551 12975 1 19 . 1 1 51 51 GLN CA C 51 56.309 56.309 53.897 2.412 17551 12976 1 19 . 1 1 51 51 GLN CB C 51 29.046 29.046 29.903 -0.857 17551 12977 1 19 . 1 1 51 51 GLN H H 51 9.456 9.456 9.210 0.246 17551 12978 1 19 . 1 1 52 52 HIS N N 52 122.268 122.268 124.556 -2.288 17551 12979 1 19 . 1 1 52 52 HIS HA H 52 5.051 5.051 4.888 0.163 17551 12980 1 19 . 1 1 52 52 HIS C C 52 174.819 174.819 173.945 0.874 17551 12981 1 19 . 1 1 52 52 HIS CA C 52 54.039 54.039 54.989 -0.950 17551 12982 1 19 . 1 1 52 52 HIS CB C 52 29.432 29.432 31.568 -2.136 17551 12983 1 19 . 1 1 52 52 HIS H H 52 9.534 9.534 9.228 0.306 17551 12984 1 19 . 1 1 53 53 PHE N N 53 129.837 129.837 126.628 3.209 17551 12985 1 19 . 1 1 53 53 PHE HA H 53 4.584 4.584 4.891 -0.307 17551 12986 1 19 . 1 1 53 53 PHE CA C 53 56.312 56.312 54.166 2.146 17551 12987 1 19 . 1 1 53 53 PHE CB C 53 40.660 40.660 41.014 -0.354 17551 12988 1 19 . 1 1 53 53 PHE H H 53 8.641 8.641 8.310 0.331 17551 12989 1 19 . 1 1 54 54 PRO HA H 54 4.291 4.291 4.317 -0.026 17551 12990 1 19 . 1 1 54 54 PRO C C 54 177.389 177.389 176.615 0.774 17551 12991 1 19 . 1 1 54 54 PRO CA C 54 63.569 63.569 63.657 -0.089 17551 12992 1 19 . 1 1 54 54 PRO CB C 54 30.471 30.471 31.017 -0.546 17551 12993 1 19 . 1 1 55 55 GLY N N 55 113.867 113.867 112.843 1.024 17551 12994 1 19 . 1 1 55 55 GLY C C 55 175.164 175.164 174.132 1.032 17551 12995 1 19 . 1 1 55 55 GLY CA C 55 45.258 45.258 45.128 0.130 17551 12996 1 19 . 1 1 55 55 GLY H H 55 8.926 8.926 8.570 0.356 17551 12997 1 19 . 1 1 56 56 GLY N N 56 108.877 108.877 108.192 0.685 17551 12998 1 19 . 1 1 56 56 GLY C C 56 174.054 174.054 172.722 1.332 17551 12999 1 19 . 1 1 56 56 GLY CA C 56 44.534 44.534 44.619 -0.085 17551 13000 1 19 . 1 1 56 56 GLY H H 56 8.426 8.426 7.962 0.464 17551 13001 1 19 . 1 1 57 57 ARG N N 57 123.871 123.871 119.360 4.511 17551 13002 1 19 . 1 1 57 57 ARG HA H 57 4.483 4.483 4.489 -0.006 17551 13003 1 19 . 1 1 57 57 ARG C C 57 176.728 176.728 176.094 0.634 17551 13004 1 19 . 1 1 57 57 ARG CA C 57 56.217 56.217 55.827 0.390 17551 13005 1 19 . 1 1 57 57 ARG CB C 57 31.388 31.388 30.742 0.646 17551 13006 1 19 . 1 1 57 57 ARG H H 57 8.474 8.474 8.334 0.140 17551 13007 1 19 . 1 1 58 58 THR N N 58 122.156 122.156 116.411 5.745 17551 13008 1 19 . 1 1 58 58 THR HA H 58 5.299 5.299 4.865 0.434 17551 13009 1 19 . 1 1 58 58 THR C C 58 174.092 174.092 174.680 -0.588 17551 13010 1 19 . 1 1 58 58 THR CA C 58 62.125 62.125 60.933 1.192 17551 13011 1 19 . 1 1 58 58 THR CB C 58 70.339 70.339 70.268 0.071 17551 13012 1 19 . 1 1 58 58 THR H H 58 8.818 8.818 8.419 0.399 17551 13013 1 19 . 1 1 59 59 THR N N 59 127.287 127.287 121.827 5.460 17551 13014 1 19 . 1 1 59 59 THR HA H 59 4.505 4.505 4.648 -0.143 17551 13015 1 19 . 1 1 59 59 THR C C 59 172.626 172.626 173.094 -0.468 17551 13016 1 19 . 1 1 59 59 THR CA C 59 62.163 62.163 61.801 0.362 17551 13017 1 19 . 1 1 59 59 THR CB C 59 70.565 70.565 71.178 -0.613 17551 13018 1 19 . 1 1 59 59 THR H H 59 9.281 9.281 8.775 0.506 17551 13019 1 19 . 1 1 60 60 THR N N 60 123.658 123.658 123.784 -0.126 17551 13020 1 19 . 1 1 60 60 THR HA H 60 5.105 5.105 4.911 0.194 17551 13021 1 19 . 1 1 60 60 THR C C 60 172.453 172.453 173.594 -1.141 17551 13022 1 19 . 1 1 60 60 THR CA C 60 61.277 61.277 61.440 -0.163 17551 13023 1 19 . 1 1 60 60 THR CB C 60 70.432 70.432 70.062 0.370 17551 13024 1 19 . 1 1 60 60 THR H H 60 8.952 8.952 8.535 0.417 17551 13025 1 19 . 1 1 61 61 ASN N N 61 124.292 124.292 125.559 -1.267 17551 13026 1 19 . 1 1 61 61 ASN HA H 61 5.384 5.384 5.173 0.211 17551 13027 1 19 . 1 1 61 61 ASN C C 61 173.609 173.609 173.925 -0.316 17551 13028 1 19 . 1 1 61 61 ASN CA C 61 52.190 52.190 52.236 -0.046 17551 13029 1 19 . 1 1 61 61 ASN CB C 61 43.987 43.987 42.966 1.021 17551 13030 1 19 . 1 1 61 61 ASN H H 61 8.848 8.848 9.059 -0.211 17551 13031 1 19 . 1 1 62 62 SER N N 62 118.046 118.046 116.197 1.849 17551 13032 1 19 . 1 1 62 62 SER HA H 62 5.659 5.659 5.195 0.464 17551 13033 1 19 . 1 1 62 62 SER C C 62 172.545 172.545 173.047 -0.502 17551 13034 1 19 . 1 1 62 62 SER CA C 62 56.974 56.974 57.543 -0.569 17551 13035 1 19 . 1 1 62 62 SER CB C 62 64.719 64.719 65.042 -0.323 17551 13036 1 19 . 1 1 62 62 SER H H 62 8.986 8.986 8.460 0.526 17551 13037 1 19 . 1 1 63 63 PHE N N 63 118.769 118.769 120.683 -1.914 17551 13038 1 19 . 1 1 63 63 PHE HA H 63 5.016 5.016 5.055 -0.039 17551 13039 1 19 . 1 1 63 63 PHE C C 63 172.500 172.500 173.376 -0.876 17551 13040 1 19 . 1 1 63 63 PHE CA C 63 55.793 55.793 56.692 -0.899 17551 13041 1 19 . 1 1 63 63 PHE CB C 63 39.459 39.459 41.675 -2.216 17551 13042 1 19 . 1 1 63 63 PHE H H 63 8.514 8.514 8.465 0.049 17551 13043 1 19 . 1 1 64 64 THR N N 64 120.318 120.318 117.980 2.338 17551 13044 1 19 . 1 1 64 64 THR HA H 64 5.617 5.617 5.018 0.599 17551 13045 1 19 . 1 1 64 64 THR C C 64 175.240 175.240 174.626 0.614 17551 13046 1 19 . 1 1 64 64 THR CA C 64 60.409 60.409 61.268 -0.859 17551 13047 1 19 . 1 1 64 64 THR CB C 64 71.213 71.213 70.514 0.699 17551 13048 1 19 . 1 1 64 64 THR H H 64 9.743 9.743 8.728 1.015 17551 13049 1 19 . 1 1 65 65 ILE N N 65 127.640 127.640 127.432 0.208 17551 13050 1 19 . 1 1 65 65 ILE HA H 65 4.089 4.089 3.923 0.166 17551 13051 1 19 . 1 1 65 65 ILE C C 65 176.477 176.477 177.539 -1.062 17551 13052 1 19 . 1 1 65 65 ILE CA C 65 59.299 59.299 61.532 -2.232 17551 13053 1 19 . 1 1 65 65 ILE CB C 65 35.445 35.445 36.467 -1.022 17551 13054 1 19 . 1 1 65 65 ILE H H 65 8.961 8.961 8.915 0.046 17551 13055 1 19 . 1 1 66 66 ASP N N 66 117.361 117.361 124.939 -7.578 17551 13056 1 19 . 1 1 66 66 ASP HA H 66 4.080 4.080 4.198 -0.118 17551 13057 1 19 . 1 1 66 66 ASP C C 66 174.730 174.730 174.375 0.355 17551 13058 1 19 . 1 1 66 66 ASP CA C 66 57.150 57.150 55.861 1.288 17551 13059 1 19 . 1 1 66 66 ASP CB C 66 38.442 38.442 40.628 -2.186 17551 13060 1 19 . 1 1 66 66 ASP H H 66 9.264 9.264 9.292 -0.028 17551 13061 1 19 . 1 1 67 67 LYS N N 67 121.171 121.171 118.613 2.558 17551 13062 1 19 . 1 1 67 67 LYS HA H 67 4.805 4.805 4.614 0.191 17551 13063 1 19 . 1 1 67 67 LYS C C 67 175.115 175.115 174.836 0.279 17551 13064 1 19 . 1 1 67 67 LYS CA C 67 53.900 53.900 54.646 -0.746 17551 13065 1 19 . 1 1 67 67 LYS CB C 67 34.256 34.256 35.615 -1.359 17551 13066 1 19 . 1 1 67 67 LYS H H 67 8.185 8.185 7.726 0.459 17551 13067 1 19 . 1 1 68 68 GLU N N 68 130.373 130.373 125.818 4.555 17551 13068 1 19 . 1 1 68 68 GLU HA H 68 4.194 4.194 4.383 -0.189 17551 13069 1 19 . 1 1 68 68 GLU C C 68 175.449 175.449 175.705 -0.256 17551 13070 1 19 . 1 1 68 68 GLU CA C 68 58.343 58.343 57.318 1.025 17551 13071 1 19 . 1 1 68 68 GLU H H 68 8.879 8.879 8.755 0.124 17551 13072 1 19 . 1 1 69 69 ALA N N 69 130.113 130.113 128.605 1.508 17551 13073 1 19 . 1 1 69 69 ALA HA H 69 4.924 4.924 4.622 0.302 17551 13074 1 19 . 1 1 69 69 ALA C C 69 175.797 175.797 175.255 0.542 17551 13075 1 19 . 1 1 69 69 ALA CA C 69 50.151 50.151 50.619 -0.468 17551 13076 1 19 . 1 1 69 69 ALA CB C 69 22.239 22.239 23.119 -0.880 17551 13077 1 19 . 1 1 69 69 ALA H H 69 8.864 8.864 9.005 -0.141 17551 13078 1 19 . 1 1 70 70 ASP N N 70 120.889 120.889 121.458 -0.569 17551 13079 1 19 . 1 1 70 70 ASP HA H 70 4.852 4.852 5.087 -0.235 17551 13080 1 19 . 1 1 70 70 ASP C C 70 175.541 175.541 175.481 0.060 17551 13081 1 19 . 1 1 70 70 ASP CA C 70 54.211 54.211 54.569 -0.358 17551 13082 1 19 . 1 1 70 70 ASP CB C 70 41.052 41.052 41.575 -0.523 17551 13083 1 19 . 1 1 70 70 ASP H H 70 8.319 8.319 8.599 -0.280 17551 13084 1 19 . 1 1 71 71 MET N N 71 125.005 125.005 122.678 2.327 17551 13085 1 19 . 1 1 71 71 MET HA H 71 4.743 4.743 5.166 -0.423 17551 13086 1 19 . 1 1 71 71 MET C C 71 174.047 174.047 174.141 -0.094 17551 13087 1 19 . 1 1 71 71 MET CA C 71 54.265 54.265 53.848 0.417 17551 13088 1 19 . 1 1 71 71 MET CB C 71 39.844 39.844 37.473 2.371 17551 13089 1 19 . 1 1 71 71 MET H H 71 8.796 8.796 8.673 0.123 17551 13090 1 19 . 1 1 72 72 GLU N N 72 118.909 118.909 119.862 -0.953 17551 13091 1 19 . 1 1 72 72 GLU HA H 72 5.613 5.613 5.432 0.181 17551 13092 1 19 . 1 1 72 72 GLU C C 72 176.109 176.109 175.439 0.670 17551 13093 1 19 . 1 1 72 72 GLU CA C 72 53.790 53.790 54.606 -0.816 17551 13094 1 19 . 1 1 72 72 GLU CB C 72 33.986 33.986 33.937 0.049 17551 13095 1 19 . 1 1 72 72 GLU H H 72 9.225 9.225 9.030 0.195 17551 13096 1 19 . 1 1 73 73 THR N N 73 109.667 109.667 115.179 -5.512 17551 13097 1 19 . 1 1 73 73 THR HA H 73 4.538 4.538 4.655 -0.117 17551 13098 1 19 . 1 1 73 73 THR C C 73 176.660 176.660 176.186 0.474 17551 13099 1 19 . 1 1 73 73 THR CA C 73 59.666 59.666 60.292 -0.626 17551 13100 1 19 . 1 1 73 73 THR CB C 73 69.710 69.710 70.298 -0.588 17551 13101 1 19 . 1 1 73 73 THR H H 73 8.904 8.904 8.867 0.037 17551 13102 1 19 . 1 1 74 74 MET N N 74 117.519 117.519 119.629 -2.110 17551 13103 1 19 . 1 1 74 74 MET HA H 74 4.776 4.776 4.334 0.442 17551 13104 1 19 . 1 1 74 74 MET C C 74 176.641 176.641 176.562 0.079 17551 13105 1 19 . 1 1 74 74 MET CA C 74 58.631 58.631 57.325 1.306 17551 13106 1 19 . 1 1 74 74 MET H H 74 8.206 8.206 8.500 -0.294 17551 13107 1 19 . 1 1 75 75 GLY N N 75 103.810 103.810 104.117 -0.307 17551 13108 1 19 . 1 1 75 75 GLY C C 75 173.956 173.956 174.937 -0.981 17551 13109 1 19 . 1 1 75 75 GLY CA C 75 43.728 43.728 44.511 -0.783 17551 13110 1 19 . 1 1 75 75 GLY H H 75 8.067 8.067 7.548 0.519 17551 13111 1 19 . 1 1 76 76 GLY N N 76 108.498 108.498 109.083 -0.585 17551 13112 1 19 . 1 1 76 76 GLY C C 76 173.267 173.267 174.073 -0.806 17551 13113 1 19 . 1 1 76 76 GLY CA C 76 44.563 44.563 44.678 -0.115 17551 13114 1 19 . 1 1 76 76 GLY H H 76 7.702 7.702 7.634 0.068 17551 13115 1 19 . 1 1 77 77 ARG N N 77 121.161 121.161 120.324 0.837 17551 13116 1 19 . 1 1 77 77 ARG HA H 77 4.348 4.348 4.571 -0.223 17551 13117 1 19 . 1 1 77 77 ARG C C 77 176.083 176.083 175.083 1.000 17551 13118 1 19 . 1 1 77 77 ARG CA C 77 55.350 55.350 54.728 0.622 17551 13119 1 19 . 1 1 77 77 ARG CB C 77 30.904 30.904 31.927 -1.023 17551 13120 1 19 . 1 1 77 77 ARG H H 77 7.328 7.328 7.640 -0.312 17551 13121 1 19 . 1 1 78 78 LYS N N 78 126.790 126.790 125.653 1.137 17551 13122 1 19 . 1 1 78 78 LYS HA H 78 5.147 5.147 5.083 0.064 17551 13123 1 19 . 1 1 78 78 LYS C C 78 176.961 176.961 176.084 0.877 17551 13124 1 19 . 1 1 78 78 LYS CA C 78 55.487 55.487 55.871 -0.384 17551 13125 1 19 . 1 1 78 78 LYS CB C 78 32.769 32.769 33.308 -0.539 17551 13126 1 19 . 1 1 78 78 LYS H H 78 8.771 8.771 8.699 0.072 17551 13127 1 19 . 1 1 79 79 PHE N N 79 119.480 119.480 122.085 -2.605 17551 13128 1 19 . 1 1 79 79 PHE HA H 79 4.898 4.898 5.018 -0.120 17551 13129 1 19 . 1 1 79 79 PHE C C 79 171.587 171.587 173.450 -1.863 17551 13130 1 19 . 1 1 79 79 PHE CA C 79 55.817 55.817 56.086 -0.269 17551 13131 1 19 . 1 1 79 79 PHE CB C 79 40.702 40.702 41.926 -1.224 17551 13132 1 19 . 1 1 79 79 PHE H H 79 8.794 8.794 8.439 0.355 17551 13133 1 19 . 1 1 80 80 LYS N N 80 119.760 119.760 119.795 -0.035 17551 13134 1 19 . 1 1 80 80 LYS HA H 80 5.460 5.460 5.445 0.015 17551 13135 1 19 . 1 1 80 80 LYS C C 80 176.538 176.538 175.745 0.793 17551 13136 1 19 . 1 1 80 80 LYS CA C 80 53.988 53.988 54.997 -1.009 17551 13137 1 19 . 1 1 80 80 LYS CB C 80 35.754 35.754 35.131 0.623 17551 13138 1 19 . 1 1 80 80 LYS H H 80 8.414 8.414 8.485 -0.071 17551 13139 1 19 . 1 1 81 81 ALA N N 81 121.171 121.171 127.268 -6.097 17551 13140 1 19 . 1 1 81 81 ALA HA H 81 4.738 4.738 4.668 0.070 17551 13141 1 19 . 1 1 81 81 ALA C C 81 175.290 175.290 175.263 0.027 17551 13142 1 19 . 1 1 81 81 ALA CA C 81 51.262 51.262 50.830 0.432 17551 13143 1 19 . 1 1 81 81 ALA CB C 81 22.568 22.568 22.200 0.368 17551 13144 1 19 . 1 1 81 81 ALA H H 81 8.525 8.525 8.529 -0.004 17551 13145 1 19 . 1 1 82 82 THR N N 82 117.970 117.970 116.392 1.578 17551 13146 1 19 . 1 1 82 82 THR HA H 82 4.292 4.292 4.710 -0.418 17551 13147 1 19 . 1 1 82 82 THR C C 82 172.556 172.556 173.755 -1.199 17551 13148 1 19 . 1 1 82 82 THR CA C 82 61.640 61.640 61.576 0.064 17551 13149 1 19 . 1 1 82 82 THR CB C 82 68.485 68.485 69.819 -1.334 17551 13150 1 19 . 1 1 82 82 THR H H 82 8.448 8.448 8.381 0.067 17551 13151 1 19 . 1 1 83 83 VAL N N 83 131.564 131.564 124.464 7.100 17551 13152 1 19 . 1 1 83 83 VAL HA H 83 3.784 3.784 4.577 -0.793 17551 13153 1 19 . 1 1 83 83 VAL C C 83 174.167 174.167 174.322 -0.155 17551 13154 1 19 . 1 1 83 83 VAL CA C 83 62.059 62.059 60.959 1.100 17551 13155 1 19 . 1 1 83 83 VAL CB C 83 31.076 31.076 33.884 -2.808 17551 13156 1 19 . 1 1 83 83 VAL H H 83 9.722 9.722 7.960 1.762 17551 13157 1 19 . 1 1 84 84 LYS N N 84 125.930 125.930 123.621 2.309 17551 13158 1 19 . 1 1 84 84 LYS HA H 84 4.851 4.851 4.744 0.107 17551 13159 1 19 . 1 1 84 84 LYS C C 84 175.025 175.025 174.100 0.925 17551 13160 1 19 . 1 1 84 84 LYS CA C 84 54.213 54.213 54.304 -0.091 17551 13161 1 19 . 1 1 84 84 LYS CB C 84 35.076 35.076 35.755 -0.679 17551 13162 1 19 . 1 1 84 84 LYS H H 84 8.541 8.541 9.149 -0.608 17551 13163 1 19 . 1 1 85 85 MET N N 85 119.366 119.366 119.607 -0.241 17551 13164 1 19 . 1 1 85 85 MET HA H 85 5.517 5.517 5.093 0.424 17551 13165 1 19 . 1 1 85 85 MET C C 85 175.698 175.698 175.668 0.030 17551 13166 1 19 . 1 1 85 85 MET CA C 85 54.256 54.256 54.907 -0.651 17551 13167 1 19 . 1 1 85 85 MET CB C 85 35.406 35.406 36.517 -1.111 17551 13168 1 19 . 1 1 85 85 MET H H 85 8.992 8.992 8.456 0.536 17551 13169 1 19 . 1 1 86 86 GLU N N 86 125.741 125.741 123.134 2.607 17551 13170 1 19 . 1 1 86 86 GLU HA H 86 4.654 4.654 4.609 0.045 17551 13171 1 19 . 1 1 86 86 GLU C C 86 177.223 177.223 176.626 0.597 17551 13172 1 19 . 1 1 86 86 GLU CA C 86 54.213 54.213 55.073 -0.860 17551 13173 1 19 . 1 1 86 86 GLU CB C 86 31.578 31.578 28.720 2.858 17551 13174 1 19 . 1 1 86 86 GLU H H 86 9.063 9.063 9.268 -0.205 17551 13175 1 19 . 1 1 87 87 GLY N N 87 117.720 117.720 111.242 6.478 17551 13176 1 19 . 1 1 87 87 GLY C C 87 175.275 175.275 175.504 -0.229 17551 13177 1 19 . 1 1 87 87 GLY CA C 87 46.902 46.902 44.573 2.329 17551 13178 1 19 . 1 1 87 87 GLY H H 87 9.300 9.300 8.510 0.790 17551 13179 1 19 . 1 1 88 88 GLY N N 88 109.070 109.070 105.566 3.504 17551 13180 1 19 . 1 1 88 88 GLY C C 88 172.863 172.863 173.985 -1.122 17551 13181 1 19 . 1 1 88 88 GLY CA C 88 44.853 44.853 45.033 -0.180 17551 13182 1 19 . 1 1 88 88 GLY H H 88 8.739 8.739 8.405 0.334 17551 13183 1 19 . 1 1 89 89 LYS N N 89 120.150 120.150 119.140 1.010 17551 13184 1 19 . 1 1 89 89 LYS HA H 89 5.113 5.113 5.141 -0.028 17551 13185 1 19 . 1 1 89 89 LYS C C 89 175.487 175.487 175.667 -0.180 17551 13186 1 19 . 1 1 89 89 LYS CA C 89 54.363 54.363 54.544 -0.181 17551 13187 1 19 . 1 1 89 89 LYS CB C 89 33.753 33.753 34.278 -0.525 17551 13188 1 19 . 1 1 89 89 LYS H H 89 7.853 7.853 7.626 0.227 17551 13189 1 19 . 1 1 90 90 ILE N N 90 124.537 124.537 126.415 -1.878 17551 13190 1 19 . 1 1 90 90 ILE HA H 90 4.489 4.489 4.380 0.110 17551 13191 1 19 . 1 1 90 90 ILE C C 90 175.679 175.679 174.770 0.909 17551 13192 1 19 . 1 1 90 90 ILE CA C 90 60.930 60.930 61.447 -0.517 17551 13193 1 19 . 1 1 90 90 ILE CB C 90 38.367 38.367 37.649 0.718 17551 13194 1 19 . 1 1 90 90 ILE H H 90 9.081 9.081 8.658 0.423 17551 13195 1 19 . 1 1 91 91 VAL N N 91 124.871 124.871 128.384 -3.513 17551 13196 1 19 . 1 1 91 91 VAL HA H 91 4.591 4.591 4.875 -0.284 17551 13197 1 19 . 1 1 91 91 VAL C C 91 173.890 173.890 173.315 0.575 17551 13198 1 19 . 1 1 91 91 VAL CA C 91 60.743 60.743 58.863 1.880 17551 13199 1 19 . 1 1 91 91 VAL CB C 91 35.279 35.279 35.670 -0.391 17551 13200 1 19 . 1 1 91 91 VAL H H 91 8.786 8.786 8.712 0.074 17551 13201 1 19 . 1 1 92 92 ALA N N 92 129.590 129.590 130.834 -1.244 17551 13202 1 19 . 1 1 92 92 ALA HA H 92 4.563 4.563 4.582 -0.019 17551 13203 1 19 . 1 1 92 92 ALA C C 92 173.855 173.855 175.242 -1.387 17551 13204 1 19 . 1 1 92 92 ALA CA C 92 49.864 49.864 49.927 -0.063 17551 13205 1 19 . 1 1 92 92 ALA CB C 92 21.948 21.948 22.013 -0.065 17551 13206 1 19 . 1 1 92 92 ALA H H 92 9.228 9.228 8.957 0.271 17551 13207 1 19 . 1 1 93 93 ASP N N 93 121.654 121.654 121.209 0.445 17551 13208 1 19 . 1 1 93 93 ASP HA H 93 5.342 5.342 4.709 0.633 17551 13209 1 19 . 1 1 93 93 ASP C C 93 173.521 173.521 174.484 -0.963 17551 13210 1 19 . 1 1 93 93 ASP CA C 93 53.658 53.658 53.595 0.063 17551 13211 1 19 . 1 1 93 93 ASP CB C 93 44.462 44.462 41.989 2.473 17551 13212 1 19 . 1 1 93 93 ASP H H 93 8.326 8.326 7.745 0.581 17551 13213 1 19 . 1 1 94 94 PHE N N 94 122.296 122.296 122.973 -0.677 17551 13214 1 19 . 1 1 94 94 PHE HA H 94 5.024 5.024 4.796 0.228 17551 13215 1 19 . 1 1 94 94 PHE CA C 94 53.952 53.952 55.484 -1.532 17551 13216 1 19 . 1 1 94 94 PHE CB C 94 38.958 38.958 42.564 -3.606 17551 13217 1 19 . 1 1 94 94 PHE H H 94 8.776 8.776 7.803 0.973 17551 13218 1 19 . 1 1 95 95 PRO HA H 95 4.396 4.396 4.575 -0.179 17551 13219 1 19 . 1 1 95 95 PRO C C 95 177.375 177.375 177.000 0.375 17551 13220 1 19 . 1 1 95 95 PRO CA C 95 64.386 64.386 63.870 0.516 17551 13221 1 19 . 1 1 95 95 PRO CB C 95 30.432 30.432 31.423 -0.991 17551 13222 1 19 . 1 1 96 96 ASN N N 96 120.924 120.924 120.841 0.083 17551 13223 1 19 . 1 1 96 96 ASN HA H 96 4.619 4.619 4.350 0.269 17551 13224 1 19 . 1 1 96 96 ASN C C 96 174.189 174.189 173.398 0.791 17551 13225 1 19 . 1 1 96 96 ASN CA C 96 53.442 53.442 54.419 -0.977 17551 13226 1 19 . 1 1 96 96 ASN CB C 96 38.069 38.069 37.802 0.267 17551 13227 1 19 . 1 1 96 96 ASN H H 96 9.183 9.183 9.090 0.093 17551 13228 1 19 . 1 1 97 97 TYR N N 97 120.943 120.943 119.041 1.902 17551 13229 1 19 . 1 1 97 97 TYR HA H 97 4.804 4.804 5.593 -0.789 17551 13230 1 19 . 1 1 97 97 TYR C C 97 172.713 172.713 173.566 -0.853 17551 13231 1 19 . 1 1 97 97 TYR CA C 97 59.314 59.314 57.023 2.292 17551 13232 1 19 . 1 1 97 97 TYR CB C 97 40.512 40.512 41.296 -0.784 17551 13233 1 19 . 1 1 97 97 TYR H H 97 8.066 8.066 7.556 0.510 17551 13234 1 19 . 1 1 98 98 HIS N N 98 128.370 128.370 128.132 0.238 17551 13235 1 19 . 1 1 98 98 HIS HA H 98 5.466 5.466 5.128 0.338 17551 13236 1 19 . 1 1 98 98 HIS C C 98 172.821 172.821 173.441 -0.620 17551 13237 1 19 . 1 1 98 98 HIS CA C 98 54.311 54.311 54.484 -0.173 17551 13238 1 19 . 1 1 98 98 HIS CB C 98 31.053 31.053 31.863 -0.809 17551 13239 1 19 . 1 1 98 98 HIS H H 98 8.786 8.786 8.628 0.158 17551 13240 1 19 . 1 1 99 99 HIS N N 99 130.146 130.146 129.683 0.463 17551 13241 1 19 . 1 1 99 99 HIS HA H 99 5.689 5.689 5.740 -0.051 17551 13242 1 19 . 1 1 99 99 HIS C C 99 173.405 173.405 174.132 -0.727 17551 13243 1 19 . 1 1 99 99 HIS CA C 99 55.101 55.101 54.254 0.848 17551 13244 1 19 . 1 1 99 99 HIS CB C 99 34.888 34.888 31.660 3.228 17551 13245 1 19 . 1 1 99 99 HIS H H 99 8.963 8.963 8.475 0.488 17551 13246 1 19 . 1 1 100 100 THR N N 100 117.843 117.843 118.743 -0.900 17551 13247 1 19 . 1 1 100 100 THR HA H 100 5.597 5.597 5.537 0.060 17551 13248 1 19 . 1 1 100 100 THR C C 100 172.563 172.563 172.602 -0.039 17551 13249 1 19 . 1 1 100 100 THR CA C 100 57.863 57.863 59.231 -1.368 17551 13250 1 19 . 1 1 100 100 THR CB C 100 71.830 71.830 72.282 -0.452 17551 13251 1 19 . 1 1 100 100 THR H H 100 8.871 8.871 8.705 0.166 17551 13252 1 19 . 1 1 101 101 ALA N N 101 121.591 121.591 123.935 -2.344 17551 13253 1 19 . 1 1 101 101 ALA HA H 101 5.318 5.318 5.231 0.087 17551 13254 1 19 . 1 1 101 101 ALA C C 101 175.540 175.540 175.339 0.201 17551 13255 1 19 . 1 1 101 101 ALA CA C 101 50.320 50.320 50.402 -0.082 17551 13256 1 19 . 1 1 101 101 ALA CB C 101 22.819 22.819 22.145 0.674 17551 13257 1 19 . 1 1 101 101 ALA H H 101 8.825 8.825 8.788 0.037 17551 13258 1 19 . 1 1 102 102 GLU N N 102 118.491 118.491 120.375 -1.884 17551 13259 1 19 . 1 1 102 102 GLU HA H 102 5.194 5.194 5.076 0.118 17551 13260 1 19 . 1 1 102 102 GLU C C 102 172.497 172.497 174.146 -1.649 17551 13261 1 19 . 1 1 102 102 GLU CA C 102 53.879 53.879 54.893 -1.014 17551 13262 1 19 . 1 1 102 102 GLU H H 102 8.785 8.785 8.297 0.488 17551 13263 1 19 . 1 1 103 103 ILE N N 103 121.813 121.813 120.700 1.113 17551 13264 1 19 . 1 1 103 103 ILE HA H 103 5.129 5.129 5.228 -0.099 17551 13265 1 19 . 1 1 103 103 ILE C C 103 177.119 177.119 176.019 1.100 17551 13266 1 19 . 1 1 103 103 ILE CA C 103 56.631 56.631 59.270 -2.639 17551 13267 1 19 . 1 1 103 103 ILE CB C 103 34.564 34.564 38.271 -3.707 17551 13268 1 19 . 1 1 103 103 ILE H H 103 8.442 8.442 8.499 -0.057 17551 13269 1 19 . 1 1 104 104 SER N N 104 122.295 122.295 123.643 -1.348 17551 13270 1 19 . 1 1 104 104 SER HA H 104 4.783 4.783 4.652 0.131 17551 13271 1 19 . 1 1 104 104 SER CA C 104 55.521 55.521 57.616 -2.095 17551 13272 1 19 . 1 1 104 104 SER CB C 104 63.426 63.426 64.392 -0.966 17551 13273 1 19 . 1 1 104 104 SER H H 104 9.119 9.119 9.095 0.024 17551 13274 1 19 . 1 1 105 105 GLY C C 105 175.730 175.730 175.214 0.516 17551 13275 1 19 . 1 1 105 105 GLY CA C 105 46.925 46.925 44.952 1.973 17551 13276 1 19 . 1 1 106 106 GLY N N 106 105.123 105.123 104.890 0.233 17551 13277 1 19 . 1 1 106 106 GLY C C 106 173.229 173.229 173.206 0.023 17551 13278 1 19 . 1 1 106 106 GLY CA C 106 44.771 44.771 45.213 -0.442 17551 13279 1 19 . 1 1 106 106 GLY H H 106 8.476 8.476 8.472 0.004 17551 13280 1 19 . 1 1 107 107 LYS N N 107 119.187 119.187 118.042 1.145 17551 13281 1 19 . 1 1 107 107 LYS HA H 107 4.856 4.856 4.804 0.052 17551 13282 1 19 . 1 1 107 107 LYS C C 107 174.072 174.072 174.449 -0.377 17551 13283 1 19 . 1 1 107 107 LYS CA C 107 54.240 54.240 54.714 -0.473 17551 13284 1 19 . 1 1 107 107 LYS CB C 107 34.508 34.508 35.972 -1.464 17551 13285 1 19 . 1 1 107 107 LYS H H 107 7.639 7.639 7.349 0.290 17551 13286 1 19 . 1 1 108 108 LEU N N 108 122.725 122.725 125.235 -2.510 17551 13287 1 19 . 1 1 108 108 LEU HA H 108 4.793 4.793 5.098 -0.305 17551 13288 1 19 . 1 1 108 108 LEU C C 108 174.906 174.906 174.567 0.339 17551 13289 1 19 . 1 1 108 108 LEU CA C 108 54.275 54.275 53.689 0.586 17551 13290 1 19 . 1 1 108 108 LEU CB C 108 42.801 42.801 42.934 -0.133 17551 13291 1 19 . 1 1 108 108 LEU H H 108 8.481 8.481 9.066 -0.585 17551 13292 1 19 . 1 1 109 109 VAL N N 109 130.844 130.844 128.012 2.832 17551 13293 1 19 . 1 1 109 109 VAL HA H 109 4.953 4.953 5.163 -0.210 17551 13294 1 19 . 1 1 109 109 VAL C C 109 176.004 176.004 173.948 2.056 17551 13295 1 19 . 1 1 109 109 VAL CA C 109 61.541 61.541 59.749 1.792 17551 13296 1 19 . 1 1 109 109 VAL CB C 109 32.721 32.721 34.900 -2.179 17551 13297 1 19 . 1 1 109 109 VAL H H 109 9.391 9.391 8.919 0.472 17551 13298 1 19 . 1 1 110 110 GLU N N 110 130.618 130.618 129.625 0.993 17551 13299 1 19 . 1 1 110 110 GLU HA H 110 5.393 5.393 5.118 0.275 17551 13300 1 19 . 1 1 110 110 GLU C C 110 175.537 175.537 175.372 0.165 17551 13301 1 19 . 1 1 110 110 GLU CA C 110 53.476 53.476 54.898 -1.422 17551 13302 1 19 . 1 1 110 110 GLU H H 110 9.386 9.386 8.426 0.960 17551 13303 1 19 . 1 1 111 111 ILE N N 111 126.952 126.952 125.706 1.246 17551 13304 1 19 . 1 1 111 111 ILE HA H 111 4.910 4.910 4.637 0.273 17551 13305 1 19 . 1 1 111 111 ILE C C 111 175.156 175.156 174.737 0.419 17551 13306 1 19 . 1 1 111 111 ILE CA C 111 59.562 59.562 60.070 -0.508 17551 13307 1 19 . 1 1 111 111 ILE CB C 111 39.029 39.029 40.313 -1.284 17551 13308 1 19 . 1 1 111 111 ILE H H 111 8.912 8.912 8.782 0.130 17551 13309 1 19 . 1 1 112 112 SER N N 112 125.389 125.389 124.350 1.039 17551 13310 1 19 . 1 1 112 112 SER HA H 112 5.524 5.524 5.520 0.004 17551 13311 1 19 . 1 1 112 112 SER C C 112 172.120 172.120 173.623 -1.503 17551 13312 1 19 . 1 1 112 112 SER CA C 112 55.756 55.756 56.594 -0.839 17551 13313 1 19 . 1 1 112 112 SER CB C 112 64.025 64.025 65.132 -1.107 17551 13314 1 19 . 1 1 112 112 SER H H 112 9.495 9.495 9.088 0.406 17551 13315 1 19 . 1 1 113 113 THR N N 113 119.329 119.329 122.536 -3.207 17551 13316 1 19 . 1 1 113 113 THR HA H 113 5.633 5.633 5.464 0.169 17551 13317 1 19 . 1 1 113 113 THR C C 113 174.911 174.911 173.807 1.104 17551 13318 1 19 . 1 1 113 113 THR CA C 113 60.362 60.362 61.142 -0.780 17551 13319 1 19 . 1 1 113 113 THR CB C 113 70.377 70.377 70.617 -0.240 17551 13320 1 19 . 1 1 113 113 THR H H 113 9.274 9.274 8.860 0.414 17551 13321 1 19 . 1 1 114 114 SER N N 114 121.027 121.027 121.485 -0.458 17551 13322 1 19 . 1 1 114 114 SER HA H 114 4.479 4.479 5.360 -0.881 17551 13323 1 19 . 1 1 114 114 SER C C 114 174.507 174.507 174.261 0.246 17551 13324 1 19 . 1 1 114 114 SER CA C 114 57.423 57.423 57.572 -0.149 17551 13325 1 19 . 1 1 114 114 SER CB C 114 64.798 64.798 64.799 -0.001 17551 13326 1 19 . 1 1 114 114 SER H H 114 8.657 8.657 8.778 -0.121 17551 13327 1 19 . 1 1 115 115 SER N N 115 122.405 122.405 121.688 0.717 17551 13328 1 19 . 1 1 115 115 SER HA H 115 4.092 4.092 4.208 -0.116 17551 13329 1 19 . 1 1 115 115 SER C C 115 174.387 174.387 174.544 -0.157 17551 13330 1 19 . 1 1 115 115 SER CA C 115 58.417 58.417 59.605 -1.188 17551 13331 1 19 . 1 1 115 115 SER CB C 115 61.860 61.860 61.484 0.376 17551 13332 1 19 . 1 1 115 115 SER H H 115 9.265 9.265 9.233 0.032 17551 13333 1 19 . 1 1 116 116 GLY N N 116 103.741 103.741 103.453 0.288 17551 13334 1 19 . 1 1 116 116 GLY C C 116 173.618 173.618 174.283 -0.665 17551 13335 1 19 . 1 1 116 116 GLY CA C 116 44.584 44.584 44.773 -0.189 17551 13336 1 19 . 1 1 116 116 GLY H H 116 8.730 8.730 8.421 0.309 17551 13337 1 19 . 1 1 117 117 VAL N N 117 123.819 123.819 124.136 -0.317 17551 13338 1 19 . 1 1 117 117 VAL HA H 117 4.242 4.242 4.004 0.238 17551 13339 1 19 . 1 1 117 117 VAL C C 117 173.712 173.712 175.175 -1.463 17551 13340 1 19 . 1 1 117 117 VAL CA C 117 61.946 61.946 62.992 -1.046 17551 13341 1 19 . 1 1 117 117 VAL CB C 117 32.244 32.244 32.531 -0.287 17551 13342 1 19 . 1 1 117 117 VAL H H 117 8.177 8.177 7.514 0.663 17551 13343 1 19 . 1 1 118 118 VAL N N 118 127.074 127.074 127.624 -0.550 17551 13344 1 19 . 1 1 118 118 VAL HA H 118 4.519 4.519 4.327 0.192 17551 13345 1 19 . 1 1 118 118 VAL C C 118 174.793 174.793 174.962 -0.169 17551 13346 1 19 . 1 1 118 118 VAL CA C 118 61.227 61.227 61.338 -0.111 17551 13347 1 19 . 1 1 118 118 VAL CB C 118 32.503 32.503 32.210 0.293 17551 13348 1 19 . 1 1 118 118 VAL H H 118 8.441 8.441 8.454 -0.013 17551 13349 1 19 . 1 1 119 119 TYR N N 119 131.178 131.178 130.799 0.379 17551 13350 1 19 . 1 1 119 119 TYR HA H 119 5.095 5.095 4.932 0.163 17551 13351 1 19 . 1 1 119 119 TYR C C 119 173.029 173.029 173.271 -0.242 17551 13352 1 19 . 1 1 119 119 TYR CA C 119 54.862 54.862 55.594 -0.732 17551 13353 1 19 . 1 1 119 119 TYR CB C 119 40.213 40.213 40.789 -0.576 17551 13354 1 19 . 1 1 119 119 TYR H H 119 9.315 9.315 9.156 0.159 17551 13355 1 19 . 1 1 120 120 LYS N N 120 126.654 126.654 126.922 -0.268 17551 13356 1 19 . 1 1 120 120 LYS HA H 120 4.922 4.922 5.222 -0.300 17551 13357 1 19 . 1 1 120 120 LYS C C 120 173.813 173.813 174.642 -0.829 17551 13358 1 19 . 1 1 120 120 LYS CA C 120 53.685 53.685 53.972 -0.287 17551 13359 1 19 . 1 1 120 120 LYS CB C 120 36.014 36.014 36.817 -0.803 17551 13360 1 19 . 1 1 120 120 LYS H H 120 7.342 7.342 8.728 -1.386 17551 13361 1 19 . 1 1 121 121 ARG N N 121 124.124 124.124 120.488 3.636 17551 13362 1 19 . 1 1 121 121 ARG HA H 121 4.798 4.798 5.002 -0.204 17551 13363 1 19 . 1 1 121 121 ARG C C 121 174.874 174.874 174.626 0.248 17551 13364 1 19 . 1 1 121 121 ARG CB C 121 34.257 34.257 33.475 0.782 17551 13365 1 19 . 1 1 121 121 ARG H H 121 9.087 9.087 8.620 0.467 17551 13366 1 19 . 1 1 122 122 THR N N 122 122.859 122.859 122.296 0.563 17551 13367 1 19 . 1 1 122 122 THR HA H 122 5.224 5.224 5.175 0.049 17551 13368 1 19 . 1 1 122 122 THR C C 122 174.321 174.321 174.062 0.259 17551 13369 1 19 . 1 1 122 122 THR CA C 122 62.177 62.177 61.801 0.376 17551 13370 1 19 . 1 1 122 122 THR CB C 122 69.459 69.459 70.170 -0.711 17551 13371 1 19 . 1 1 122 122 THR H H 122 9.358 9.358 9.009 0.349 17551 13372 1 19 . 1 1 123 123 SER N N 123 123.389 123.389 123.005 0.384 17551 13373 1 19 . 1 1 123 123 SER HA H 123 5.196 5.196 5.458 -0.262 17551 13374 1 19 . 1 1 123 123 SER C C 123 172.464 172.464 173.559 -1.095 17551 13375 1 19 . 1 1 123 123 SER CA C 123 57.571 57.571 57.392 0.179 17551 13376 1 19 . 1 1 123 123 SER CB C 123 65.697 65.697 66.418 -0.721 17551 13377 1 19 . 1 1 123 123 SER H H 123 9.749 9.749 9.415 0.334 17551 13378 1 19 . 1 1 124 124 LYS N N 124 125.058 125.058 123.243 1.815 17551 13379 1 19 . 1 1 124 124 LYS HA H 124 4.681 4.681 4.516 0.165 17551 13380 1 19 . 1 1 124 124 LYS C C 124 175.141 175.141 175.800 -0.659 17551 13381 1 19 . 1 1 124 124 LYS CA C 124 54.444 54.444 55.762 -1.318 17551 13382 1 19 . 1 1 124 124 LYS CB C 124 33.492 33.492 33.762 -0.270 17551 13383 1 19 . 1 1 124 124 LYS H H 124 8.808 8.808 8.675 0.133 17551 13384 1 19 . 1 1 125 125 LYS N N 125 126.114 126.114 123.148 2.966 17551 13385 1 19 . 1 1 125 125 LYS HA H 125 4.367 4.367 4.933 -0.566 17551 13386 1 19 . 1 1 125 125 LYS C C 125 176.828 176.828 175.553 1.275 17551 13387 1 19 . 1 1 125 125 LYS CA C 125 56.752 56.752 55.229 1.523 17551 13388 1 19 . 1 1 125 125 LYS CB C 125 32.912 32.912 32.724 0.188 17551 13389 1 19 . 1 1 125 125 LYS H H 125 9.215 9.215 8.519 0.696 17551 13390 1 19 . 1 1 126 126 ILE N N 126 125.207 125.207 124.430 0.777 17551 13391 1 19 . 1 1 126 126 ILE HA H 126 4.302 4.302 4.575 -0.273 17551 13392 1 19 . 1 1 126 126 ILE C C 126 175.240 175.240 173.645 1.595 17551 13393 1 19 . 1 1 126 126 ILE CA C 126 60.067 60.067 59.773 0.294 17551 13394 1 19 . 1 1 126 126 ILE CB C 126 38.611 38.611 41.842 -3.231 17551 13395 1 19 . 1 1 126 126 ILE H H 126 8.777 8.777 8.650 0.127 17551 13396 1 20 . 1 1 2 2 PHE N N 2 114.421 114.421 119.573 -5.152 17551 13397 1 20 . 1 1 2 2 PHE HA H 2 4.205 4.205 4.744 -0.539 17551 13398 1 20 . 1 1 2 2 PHE C C 2 177.675 177.675 177.042 0.633 17551 13399 1 20 . 1 1 2 2 PHE CA C 2 59.748 59.748 58.523 1.225 17551 13400 1 20 . 1 1 2 2 PHE CB C 2 41.014 41.014 39.264 1.750 17551 13401 1 20 . 1 1 2 2 PHE H H 2 9.501 9.501 8.699 0.802 17551 13402 1 20 . 1 1 3 3 THR N N 3 118.304 118.304 115.595 2.709 17551 13403 1 20 . 1 1 3 3 THR HA H 3 4.021 4.021 4.412 -0.391 17551 13404 1 20 . 1 1 3 3 THR C C 3 173.811 173.811 174.857 -1.046 17551 13405 1 20 . 1 1 3 3 THR CA C 3 63.646 63.646 64.906 -1.260 17551 13406 1 20 . 1 1 3 3 THR CB C 3 69.230 69.230 69.221 0.009 17551 13407 1 20 . 1 1 3 3 THR H H 3 7.721 7.721 8.099 -0.378 17551 13408 1 20 . 1 1 4 4 GLY N N 4 113.320 113.320 111.321 1.999 17551 13409 1 20 . 1 1 4 4 GLY C C 4 169.382 169.382 171.899 -2.517 17551 13410 1 20 . 1 1 4 4 GLY CA C 4 44.343 44.343 44.556 -0.213 17551 13411 1 20 . 1 1 4 4 GLY H H 4 8.881 8.881 8.505 0.376 17551 13412 1 20 . 1 1 5 5 LYS N N 5 120.330 120.330 120.102 0.228 17551 13413 1 20 . 1 1 5 5 LYS HA H 5 5.255 5.255 5.285 -0.030 17551 13414 1 20 . 1 1 5 5 LYS C C 5 174.306 174.306 174.897 -0.591 17551 13415 1 20 . 1 1 5 5 LYS CA C 5 54.232 54.232 54.459 -0.227 17551 13416 1 20 . 1 1 5 5 LYS CB C 5 35.137 35.137 35.231 -0.094 17551 13417 1 20 . 1 1 5 5 LYS H H 5 7.914 7.914 7.954 -0.040 17551 13418 1 20 . 1 1 6 6 TYR N N 6 122.260 122.260 121.889 0.371 17551 13419 1 20 . 1 1 6 6 TYR HA H 6 5.617 5.617 5.850 -0.233 17551 13420 1 20 . 1 1 6 6 TYR C C 6 174.519 174.519 175.524 -1.005 17551 13421 1 20 . 1 1 6 6 TYR CA C 6 55.158 55.158 56.239 -1.081 17551 13422 1 20 . 1 1 6 6 TYR CB C 6 41.637 41.637 42.754 -1.117 17551 13423 1 20 . 1 1 6 6 TYR H H 6 9.736 9.736 8.819 0.917 17551 13424 1 20 . 1 1 7 7 GLU N N 7 122.025 122.025 119.841 2.184 17551 13425 1 20 . 1 1 7 7 GLU HA H 7 5.096 5.096 5.155 -0.059 17551 13426 1 20 . 1 1 7 7 GLU C C 7 174.888 174.888 175.515 -0.627 17551 13427 1 20 . 1 1 7 7 GLU CA C 7 53.988 53.988 53.746 0.242 17551 13428 1 20 . 1 1 7 7 GLU CB C 7 33.716 33.716 34.875 -1.159 17551 13429 1 20 . 1 1 7 7 GLU H H 7 9.461 9.461 8.523 0.938 17551 13430 1 20 . 1 1 8 8 PHE N N 8 126.529 126.529 121.513 5.016 17551 13431 1 20 . 1 1 8 8 PHE HA H 8 4.599 4.599 4.312 0.286 17551 13432 1 20 . 1 1 8 8 PHE C C 8 172.999 172.999 175.545 -2.546 17551 13433 1 20 . 1 1 8 8 PHE CA C 8 59.847 59.847 61.136 -1.290 17551 13434 1 20 . 1 1 8 8 PHE CB C 8 40.687 40.687 39.549 1.138 17551 13435 1 20 . 1 1 8 8 PHE H H 8 7.986 7.986 9.033 -1.047 17551 13436 1 20 . 1 1 9 9 GLU N N 9 129.046 129.046 126.995 2.051 17551 13437 1 20 . 1 1 9 9 GLU HA H 9 4.306 4.306 4.728 -0.422 17551 13438 1 20 . 1 1 9 9 GLU C C 9 174.528 174.528 175.894 -1.366 17551 13439 1 20 . 1 1 9 9 GLU CA C 9 56.545 56.545 56.956 -0.411 17551 13440 1 20 . 1 1 9 9 GLU CB C 9 32.798 32.798 32.595 0.203 17551 13441 1 20 . 1 1 9 9 GLU H H 9 9.151 9.151 8.544 0.607 17551 13442 1 20 . 1 1 10 10 SER N N 10 111.041 111.041 113.954 -2.913 17551 13443 1 20 . 1 1 10 10 SER HA H 10 4.258 4.258 4.957 -0.699 17551 13444 1 20 . 1 1 10 10 SER C C 10 171.216 171.216 171.984 -0.768 17551 13445 1 20 . 1 1 10 10 SER CA C 10 57.930 57.930 57.767 0.163 17551 13446 1 20 . 1 1 10 10 SER CB C 10 64.720 64.720 66.652 -1.932 17551 13447 1 20 . 1 1 10 10 SER H H 10 7.612 7.612 7.971 -0.359 17551 13448 1 20 . 1 1 11 11 ASP N N 11 118.058 118.058 120.592 -2.534 17551 13449 1 20 . 1 1 11 11 ASP HA H 11 5.500 5.500 5.045 0.455 17551 13450 1 20 . 1 1 11 11 ASP C C 11 174.845 174.845 174.795 0.050 17551 13451 1 20 . 1 1 11 11 ASP CA C 11 51.633 51.633 53.761 -2.128 17551 13452 1 20 . 1 1 11 11 ASP H H 11 8.632 8.632 8.553 0.079 17551 13453 1 20 . 1 1 12 12 GLU N N 12 117.523 117.523 121.682 -4.159 17551 13454 1 20 . 1 1 12 12 GLU HA H 12 4.782 4.782 4.668 0.114 17551 13455 1 20 . 1 1 12 12 GLU C C 12 175.293 175.293 175.546 -0.253 17551 13456 1 20 . 1 1 12 12 GLU CB C 12 33.450 33.450 33.167 0.283 17551 13457 1 20 . 1 1 12 12 GLU H H 12 8.562 8.562 9.126 -0.564 17551 13458 1 20 . 1 1 13 13 ASN N N 13 118.877 118.877 122.012 -3.135 17551 13459 1 20 . 1 1 13 13 ASN HA H 13 4.742 4.742 4.514 0.228 17551 13460 1 20 . 1 1 13 13 ASN C C 13 175.303 175.303 174.949 0.354 17551 13461 1 20 . 1 1 13 13 ASN CA C 13 53.373 53.373 54.244 -0.871 17551 13462 1 20 . 1 1 13 13 ASN CB C 13 37.207 37.207 37.773 -0.566 17551 13463 1 20 . 1 1 13 13 ASN H H 13 9.110 9.110 9.154 -0.044 17551 13464 1 20 . 1 1 14 14 TYR N N 14 118.061 118.061 120.166 -2.105 17551 13465 1 20 . 1 1 14 14 TYR HA H 14 4.015 4.015 4.237 -0.222 17551 13466 1 20 . 1 1 14 14 TYR C C 14 176.581 176.581 176.628 -0.047 17551 13467 1 20 . 1 1 14 14 TYR CA C 14 62.797 62.797 62.781 0.017 17551 13468 1 20 . 1 1 14 14 TYR CB C 14 38.998 38.998 38.719 0.279 17551 13469 1 20 . 1 1 14 14 TYR H H 14 8.731 8.731 8.367 0.364 17551 13470 1 20 . 1 1 15 15 ASP N N 15 115.317 115.317 118.078 -2.761 17551 13471 1 20 . 1 1 15 15 ASP HA H 15 4.112 4.112 4.404 -0.292 17551 13472 1 20 . 1 1 15 15 ASP C C 15 178.333 178.333 178.228 0.105 17551 13473 1 20 . 1 1 15 15 ASP CA C 15 57.819 57.819 59.261 -1.442 17551 13474 1 20 . 1 1 15 15 ASP CB C 15 40.410 40.410 40.120 0.291 17551 13475 1 20 . 1 1 15 15 ASP H H 15 8.316 8.316 9.044 -0.728 17551 13476 1 20 . 1 1 16 16 ASP N N 16 117.774 117.774 119.696 -1.922 17551 13477 1 20 . 1 1 16 16 ASP HA H 16 4.392 4.392 4.385 0.007 17551 13478 1 20 . 1 1 16 16 ASP C C 16 178.597 178.597 178.260 0.337 17551 13479 1 20 . 1 1 16 16 ASP CA C 16 56.348 56.348 57.270 -0.922 17551 13480 1 20 . 1 1 16 16 ASP CB C 16 39.883 39.883 40.837 -0.954 17551 13481 1 20 . 1 1 16 16 ASP H H 16 8.449 8.449 8.456 -0.007 17551 13482 1 20 . 1 1 17 17 PHE N N 17 120.363 120.363 120.717 -0.354 17551 13483 1 20 . 1 1 17 17 PHE HA H 17 4.068 4.068 4.112 -0.044 17551 13484 1 20 . 1 1 17 17 PHE C C 17 176.755 176.755 176.912 -0.157 17551 13485 1 20 . 1 1 17 17 PHE CA C 17 61.840 61.840 61.090 0.750 17551 13486 1 20 . 1 1 17 17 PHE CB C 17 39.794 39.794 38.952 0.842 17551 13487 1 20 . 1 1 17 17 PHE H H 17 7.931 7.931 7.624 0.307 17551 13488 1 20 . 1 1 18 18 VAL N N 18 110.180 110.180 117.006 -6.826 17551 13489 1 20 . 1 1 18 18 VAL HA H 18 3.595 3.595 3.291 0.304 17551 13490 1 20 . 1 1 18 18 VAL C C 18 178.434 178.434 177.699 0.735 17551 13491 1 20 . 1 1 18 18 VAL CA C 18 64.697 64.697 66.293 -1.595 17551 13492 1 20 . 1 1 18 18 VAL CB C 18 29.602 29.602 31.222 -1.620 17551 13493 1 20 . 1 1 18 18 VAL H H 18 8.294 8.294 8.391 -0.097 17551 13494 1 20 . 1 1 19 19 LYS N N 19 119.749 119.749 117.642 2.107 17551 13495 1 20 . 1 1 19 19 LYS HA H 19 4.108 4.108 4.103 0.005 17551 13496 1 20 . 1 1 19 19 LYS C C 19 179.796 179.796 178.780 1.016 17551 13497 1 20 . 1 1 19 19 LYS CA C 19 58.320 58.320 58.121 0.199 17551 13498 1 20 . 1 1 19 19 LYS CB C 19 31.918 31.918 31.965 -0.047 17551 13499 1 20 . 1 1 19 19 LYS H H 19 7.382 7.382 8.535 -1.153 17551 13500 1 20 . 1 1 20 20 LYS N N 20 121.187 121.187 119.572 1.615 17551 13501 1 20 . 1 1 20 20 LYS HA H 20 4.071 4.071 4.139 -0.068 17551 13502 1 20 . 1 1 20 20 LYS C C 20 179.071 179.071 178.377 0.694 17551 13503 1 20 . 1 1 20 20 LYS CA C 20 57.347 57.347 57.906 -0.559 17551 13504 1 20 . 1 1 20 20 LYS CB C 20 30.633 30.633 32.462 -1.829 17551 13505 1 20 . 1 1 20 20 LYS H H 20 7.718 7.718 7.434 0.284 17551 13506 1 20 . 1 1 21 21 ILE N N 21 109.363 109.363 111.861 -2.498 17551 13507 1 20 . 1 1 21 21 ILE HA H 21 4.212 4.212 4.065 0.147 17551 13508 1 20 . 1 1 21 21 ILE C C 21 176.366 176.366 176.424 -0.058 17551 13509 1 20 . 1 1 21 21 ILE CA C 21 61.610 61.610 61.333 0.277 17551 13510 1 20 . 1 1 21 21 ILE CB C 21 36.968 36.968 37.864 -0.896 17551 13511 1 20 . 1 1 21 21 ILE H H 21 7.591 7.591 7.437 0.154 17551 13512 1 20 . 1 1 22 22 GLY N N 22 107.961 107.961 108.892 -0.931 17551 13513 1 20 . 1 1 22 22 GLY C C 22 174.877 174.877 174.829 0.048 17551 13514 1 20 . 1 1 22 22 GLY CA C 22 45.510 45.510 45.101 0.409 17551 13515 1 20 . 1 1 22 22 GLY H H 22 7.260 7.260 7.285 -0.025 17551 13516 1 20 . 1 1 23 23 LEU N N 23 120.597 120.597 122.243 -1.646 17551 13517 1 20 . 1 1 23 23 LEU HA H 23 4.207 4.207 4.485 -0.278 17551 13518 1 20 . 1 1 23 23 LEU CA C 23 52.923 52.923 53.048 -0.126 17551 13519 1 20 . 1 1 23 23 LEU CB C 23 42.241 42.241 42.940 -0.698 17551 13520 1 20 . 1 1 23 23 LEU H H 23 7.314 7.314 7.950 -0.636 17551 13521 1 20 . 1 1 24 24 PRO HA H 24 4.537 4.537 4.490 0.047 17551 13522 1 20 . 1 1 24 24 PRO C C 24 177.702 177.702 177.565 0.137 17551 13523 1 20 . 1 1 24 24 PRO CA C 24 61.891 61.891 62.563 -0.672 17551 13524 1 20 . 1 1 24 24 PRO CB C 24 32.260 32.260 32.639 -0.379 17551 13525 1 20 . 1 1 25 25 ALA N N 25 123.142 123.142 127.670 -4.528 17551 13526 1 20 . 1 1 25 25 ALA HA H 25 3.935 3.935 3.954 -0.019 17551 13527 1 20 . 1 1 25 25 ALA C C 25 179.461 179.461 179.267 0.194 17551 13528 1 20 . 1 1 25 25 ALA CA C 25 55.314 55.314 55.162 0.152 17551 13529 1 20 . 1 1 25 25 ALA CB C 25 18.220 18.220 18.431 -0.211 17551 13530 1 20 . 1 1 25 25 ALA H H 25 8.738 8.738 8.797 -0.059 17551 13531 1 20 . 1 1 26 26 ASP N N 26 115.440 115.440 118.126 -2.686 17551 13532 1 20 . 1 1 26 26 ASP HA H 26 4.379 4.379 4.373 0.006 17551 13533 1 20 . 1 1 26 26 ASP C C 26 179.291 179.291 178.048 1.243 17551 13534 1 20 . 1 1 26 26 ASP CA C 26 56.015 56.015 57.125 -1.110 17551 13535 1 20 . 1 1 26 26 ASP CB C 26 38.136 38.136 40.101 -1.965 17551 13536 1 20 . 1 1 26 26 ASP H H 26 8.971 8.971 8.774 0.197 17551 13537 1 20 . 1 1 27 27 LYS N N 27 122.292 122.292 117.502 4.790 17551 13538 1 20 . 1 1 27 27 LYS HA H 27 4.160 4.160 4.354 -0.194 17551 13539 1 20 . 1 1 27 27 LYS C C 27 177.758 177.758 178.477 -0.719 17551 13540 1 20 . 1 1 27 27 LYS CA C 27 58.022 58.022 56.899 1.123 17551 13541 1 20 . 1 1 27 27 LYS CB C 27 31.334 31.334 32.794 -1.460 17551 13542 1 20 . 1 1 27 27 LYS H H 27 7.434 7.434 7.555 -0.121 17551 13543 1 20 . 1 1 28 28 ILE N N 28 119.737 119.737 122.131 -2.394 17551 13544 1 20 . 1 1 28 28 ILE HA H 28 3.586 3.586 3.854 -0.268 17551 13545 1 20 . 1 1 28 28 ILE C C 28 180.386 180.386 178.624 1.762 17551 13546 1 20 . 1 1 28 28 ILE CA C 28 65.027 65.027 65.691 -0.664 17551 13547 1 20 . 1 1 28 28 ILE CB C 28 37.002 37.002 38.078 -1.076 17551 13548 1 20 . 1 1 28 28 ILE H H 28 8.016 8.016 8.643 -0.627 17551 13549 1 20 . 1 1 29 29 GLU N N 29 117.216 117.216 118.224 -1.008 17551 13550 1 20 . 1 1 29 29 GLU HA H 29 4.294 4.294 4.119 0.175 17551 13551 1 20 . 1 1 29 29 GLU C C 29 179.024 179.024 178.494 0.530 17551 13552 1 20 . 1 1 29 29 GLU CA C 29 58.139 58.139 58.829 -0.690 17551 13553 1 20 . 1 1 29 29 GLU CB C 29 28.028 28.028 29.176 -1.148 17551 13554 1 20 . 1 1 29 29 GLU H H 29 7.755 7.755 8.400 -0.645 17551 13555 1 20 . 1 1 30 30 MET N N 30 119.183 119.183 119.007 0.176 17551 13556 1 20 . 1 1 30 30 MET HA H 30 4.194 4.194 4.573 -0.379 17551 13557 1 20 . 1 1 30 30 MET C C 30 177.683 177.683 177.021 0.662 17551 13558 1 20 . 1 1 30 30 MET CA C 30 58.150 58.150 56.577 1.573 17551 13559 1 20 . 1 1 30 30 MET CB C 30 33.162 33.162 33.502 -0.340 17551 13560 1 20 . 1 1 30 30 MET H H 30 7.659 7.659 7.646 0.013 17551 13561 1 20 . 1 1 31 31 GLY N N 31 102.603 102.603 105.725 -3.122 17551 13562 1 20 . 1 1 31 31 GLY C C 31 172.264 172.264 173.062 -0.798 17551 13563 1 20 . 1 1 31 31 GLY CA C 31 45.433 45.433 44.811 0.622 17551 13564 1 20 . 1 1 31 31 GLY H H 31 7.839 7.839 8.535 -0.696 17551 13565 1 20 . 1 1 32 32 ARG N N 32 121.453 121.453 119.763 1.690 17551 13566 1 20 . 1 1 32 32 ARG HA H 32 3.072 3.072 4.198 -1.126 17551 13567 1 20 . 1 1 32 32 ARG C C 32 175.932 175.932 175.260 0.672 17551 13568 1 20 . 1 1 32 32 ARG CA C 32 56.894 56.894 55.260 1.634 17551 13569 1 20 . 1 1 32 32 ARG CB C 32 29.004 29.004 30.393 -1.389 17551 13570 1 20 . 1 1 32 32 ARG H H 32 6.954 6.954 7.756 -0.802 17551 13571 1 20 . 1 1 33 33 ASN N N 33 127.905 127.905 117.488 10.417 17551 13572 1 20 . 1 1 33 33 ASN HA H 33 4.066 4.066 3.569 0.497 17551 13573 1 20 . 1 1 33 33 ASN C C 33 173.939 173.939 174.250 -0.311 17551 13574 1 20 . 1 1 33 33 ASN CA C 33 53.539 53.539 54.013 -0.474 17551 13575 1 20 . 1 1 33 33 ASN CB C 33 37.017 37.017 37.498 -0.481 17551 13576 1 20 . 1 1 33 33 ASN H H 33 8.990 8.990 8.656 0.334 17551 13577 1 20 . 1 1 34 34 CYS N N 34 116.649 116.649 117.860 -1.211 17551 13578 1 20 . 1 1 34 34 CYS HA H 34 4.018 4.018 4.383 -0.365 17551 13579 1 20 . 1 1 34 34 CYS C C 34 175.384 175.384 174.682 0.702 17551 13580 1 20 . 1 1 34 34 CYS CA C 34 57.216 57.216 58.428 -1.212 17551 13581 1 20 . 1 1 34 34 CYS CB C 34 27.200 27.200 29.827 -2.627 17551 13582 1 20 . 1 1 34 34 CYS H H 34 7.443 7.443 7.690 -0.247 17551 13583 1 20 . 1 1 35 35 LYS N N 35 130.727 130.727 122.645 8.082 17551 13584 1 20 . 1 1 35 35 LYS HA H 35 4.296 4.296 4.448 -0.152 17551 13585 1 20 . 1 1 35 35 LYS C C 35 175.272 175.272 175.238 0.034 17551 13586 1 20 . 1 1 35 35 LYS CA C 35 55.577 55.577 55.954 -0.377 17551 13587 1 20 . 1 1 35 35 LYS CB C 35 29.487 29.487 31.740 -2.253 17551 13588 1 20 . 1 1 35 35 LYS H H 35 8.691 8.691 8.322 0.369 17551 13589 1 20 . 1 1 36 36 ILE N N 36 125.658 125.658 126.585 -0.927 17551 13590 1 20 . 1 1 36 36 ILE HA H 36 4.010 4.010 4.765 -0.755 17551 13591 1 20 . 1 1 36 36 ILE C C 36 177.115 177.115 175.671 1.444 17551 13592 1 20 . 1 1 36 36 ILE CA C 36 62.608 62.608 60.114 2.494 17551 13593 1 20 . 1 1 36 36 ILE CB C 36 39.739 39.739 39.749 -0.010 17551 13594 1 20 . 1 1 36 36 ILE H H 36 7.658 7.658 8.076 -0.418 17551 13595 1 20 . 1 1 37 37 VAL N N 37 130.730 130.730 129.331 1.399 17551 13596 1 20 . 1 1 37 37 VAL HA H 37 5.105 5.105 5.048 0.057 17551 13597 1 20 . 1 1 37 37 VAL C C 37 175.295 175.295 176.129 -0.834 17551 13598 1 20 . 1 1 37 37 VAL CA C 37 60.845 60.845 60.655 0.190 17551 13599 1 20 . 1 1 37 37 VAL CB C 37 33.716 33.716 31.912 1.804 17551 13600 1 20 . 1 1 37 37 VAL H H 37 7.909 7.909 8.464 -0.555 17551 13601 1 20 . 1 1 38 38 THR N N 38 127.066 127.066 125.331 1.735 17551 13602 1 20 . 1 1 38 38 THR HA H 38 5.405 5.405 5.267 0.138 17551 13603 1 20 . 1 1 38 38 THR C C 38 174.035 174.035 174.078 -0.043 17551 13604 1 20 . 1 1 38 38 THR CA C 38 61.303 61.303 61.212 0.091 17551 13605 1 20 . 1 1 38 38 THR CB C 38 70.474 70.474 69.549 0.925 17551 13606 1 20 . 1 1 38 38 THR H H 38 9.393 9.393 9.280 0.113 17551 13607 1 20 . 1 1 39 39 GLU N N 39 126.804 126.804 129.640 -2.836 17551 13608 1 20 . 1 1 39 39 GLU HA H 39 5.216 5.216 4.652 0.564 17551 13609 1 20 . 1 1 39 39 GLU C C 39 174.379 174.379 174.952 -0.573 17551 13610 1 20 . 1 1 39 39 GLU CA C 39 54.232 54.232 55.914 -1.682 17551 13611 1 20 . 1 1 39 39 GLU CB C 39 32.531 32.531 30.720 1.811 17551 13612 1 20 . 1 1 39 39 GLU H H 39 9.728 9.728 8.936 0.792 17551 13613 1 20 . 1 1 40 40 VAL N N 40 125.405 125.405 126.976 -1.571 17551 13614 1 20 . 1 1 40 40 VAL HA H 40 4.859 4.859 5.270 -0.411 17551 13615 1 20 . 1 1 40 40 VAL C C 40 176.139 176.139 175.453 0.686 17551 13616 1 20 . 1 1 40 40 VAL CA C 40 60.091 60.091 59.931 0.160 17551 13617 1 20 . 1 1 40 40 VAL CB C 40 33.952 33.952 32.896 1.056 17551 13618 1 20 . 1 1 40 40 VAL H H 40 9.326 9.326 8.976 0.350 17551 13619 1 20 . 1 1 41 41 VAL N N 41 127.197 127.197 128.486 -1.289 17551 13620 1 20 . 1 1 41 41 VAL HA H 41 4.144 4.144 4.390 -0.246 17551 13621 1 20 . 1 1 41 41 VAL C C 41 173.604 173.604 174.184 -0.580 17551 13622 1 20 . 1 1 41 41 VAL CA C 41 62.522 62.522 60.905 1.617 17551 13623 1 20 . 1 1 41 41 VAL CB C 41 33.757 33.757 33.569 0.188 17551 13624 1 20 . 1 1 41 41 VAL H H 41 8.811 8.811 8.081 0.730 17551 13625 1 20 . 1 1 42 42 GLN N N 42 130.317 130.317 128.090 2.227 17551 13626 1 20 . 1 1 42 42 GLN HA H 42 4.430 4.430 4.246 0.184 17551 13627 1 20 . 1 1 42 42 GLN C C 42 174.239 174.239 175.019 -0.780 17551 13628 1 20 . 1 1 42 42 GLN CA C 42 52.960 52.960 55.165 -2.205 17551 13629 1 20 . 1 1 42 42 GLN CB C 42 29.877 29.877 30.252 -0.375 17551 13630 1 20 . 1 1 42 42 GLN H H 42 8.345 8.345 8.642 -0.297 17551 13631 1 20 . 1 1 43 43 ASN N N 43 125.513 125.513 125.912 -0.399 17551 13632 1 20 . 1 1 43 43 ASN HA H 43 4.826 4.826 4.779 0.047 17551 13633 1 20 . 1 1 43 43 ASN C C 43 175.350 175.350 174.844 0.506 17551 13634 1 20 . 1 1 43 43 ASN CA C 43 51.303 51.303 52.913 -1.609 17551 13635 1 20 . 1 1 43 43 ASN CB C 43 39.051 39.051 39.059 -0.008 17551 13636 1 20 . 1 1 43 43 ASN H H 43 8.772 8.772 8.095 0.677 17551 13637 1 20 . 1 1 44 44 GLY N N 44 115.694 115.694 114.197 1.497 17551 13638 1 20 . 1 1 44 44 GLY C C 44 173.199 173.199 174.712 -1.513 17551 13639 1 20 . 1 1 44 44 GLY CA C 44 46.964 46.964 46.318 0.646 17551 13640 1 20 . 1 1 44 44 GLY H H 44 9.187 9.187 8.535 0.652 17551 13641 1 20 . 1 1 45 45 ASN N N 45 125.520 125.520 123.685 1.835 17551 13642 1 20 . 1 1 45 45 ASN HA H 45 4.991 4.991 4.926 0.065 17551 13643 1 20 . 1 1 45 45 ASN C C 45 173.822 173.822 172.974 0.848 17551 13644 1 20 . 1 1 45 45 ASN CA C 45 52.215 52.215 52.381 -0.166 17551 13645 1 20 . 1 1 45 45 ASN CB C 45 38.700 38.700 40.409 -1.709 17551 13646 1 20 . 1 1 45 45 ASN H H 45 8.854 8.854 8.291 0.563 17551 13647 1 20 . 1 1 46 46 ASP N N 46 120.842 120.842 120.807 0.035 17551 13648 1 20 . 1 1 46 46 ASP HA H 46 5.185 5.185 5.128 0.057 17551 13649 1 20 . 1 1 46 46 ASP C C 46 174.705 174.705 174.064 0.641 17551 13650 1 20 . 1 1 46 46 ASP CA C 46 53.658 53.658 53.084 0.574 17551 13651 1 20 . 1 1 46 46 ASP CB C 46 41.025 41.025 41.957 -0.932 17551 13652 1 20 . 1 1 46 46 ASP H H 46 7.921 7.921 7.717 0.204 17551 13653 1 20 . 1 1 47 47 PHE N N 47 121.470 121.470 125.597 -4.127 17551 13654 1 20 . 1 1 47 47 PHE HA H 47 5.161 5.161 5.277 -0.116 17551 13655 1 20 . 1 1 47 47 PHE C C 47 177.125 177.125 175.302 1.823 17551 13656 1 20 . 1 1 47 47 PHE CA C 47 56.591 56.591 55.671 0.920 17551 13657 1 20 . 1 1 47 47 PHE CB C 47 44.035 44.035 42.382 1.653 17551 13658 1 20 . 1 1 47 47 PHE H H 47 9.263 9.263 8.474 0.789 17551 13659 1 20 . 1 1 48 48 THR N N 48 116.950 116.950 117.124 -0.174 17551 13660 1 20 . 1 1 48 48 THR HA H 48 4.861 4.861 4.668 0.193 17551 13661 1 20 . 1 1 48 48 THR C C 48 172.499 172.499 173.818 -1.319 17551 13662 1 20 . 1 1 48 48 THR CA C 48 62.943 62.943 61.690 1.253 17551 13663 1 20 . 1 1 48 48 THR CB C 48 70.360 70.360 69.524 0.836 17551 13664 1 20 . 1 1 48 48 THR H H 48 8.831 8.831 8.466 0.365 17551 13665 1 20 . 1 1 49 49 TRP N N 49 132.266 132.266 127.746 4.520 17551 13666 1 20 . 1 1 49 49 TRP HA H 49 4.955 4.955 4.941 0.014 17551 13667 1 20 . 1 1 49 49 TRP C C 49 175.842 175.842 174.789 1.053 17551 13668 1 20 . 1 1 49 49 TRP CA C 49 57.286 57.286 56.614 0.672 17551 13669 1 20 . 1 1 49 49 TRP CB C 49 31.894 31.894 32.018 -0.124 17551 13670 1 20 . 1 1 49 49 TRP H H 49 9.914 9.914 9.522 0.392 17551 13671 1 20 . 1 1 50 50 THR N N 50 131.707 131.707 123.459 8.248 17551 13672 1 20 . 1 1 50 50 THR HA H 50 5.928 5.928 4.795 1.133 17551 13673 1 20 . 1 1 50 50 THR C C 50 173.408 173.408 173.044 0.364 17551 13674 1 20 . 1 1 50 50 THR CA C 50 60.993 60.993 61.670 -0.677 17551 13675 1 20 . 1 1 50 50 THR CB C 50 70.957 70.957 70.045 0.912 17551 13676 1 20 . 1 1 50 50 THR H H 50 9.524 9.524 8.556 0.968 17551 13677 1 20 . 1 1 51 51 GLN N N 51 124.680 124.680 127.331 -2.651 17551 13678 1 20 . 1 1 51 51 GLN HA H 51 5.056 5.056 5.107 -0.051 17551 13679 1 20 . 1 1 51 51 GLN C C 51 175.328 175.328 174.774 0.554 17551 13680 1 20 . 1 1 51 51 GLN CA C 51 56.309 56.309 54.646 1.663 17551 13681 1 20 . 1 1 51 51 GLN CB C 51 29.046 29.046 30.579 -1.533 17551 13682 1 20 . 1 1 51 51 GLN H H 51 9.456 9.456 9.259 0.197 17551 13683 1 20 . 1 1 52 52 HIS N N 52 122.268 122.268 124.903 -2.635 17551 13684 1 20 . 1 1 52 52 HIS HA H 52 5.051 5.051 4.891 0.160 17551 13685 1 20 . 1 1 52 52 HIS C C 52 174.819 174.819 173.812 1.007 17551 13686 1 20 . 1 1 52 52 HIS CA C 52 54.039 54.039 55.202 -1.163 17551 13687 1 20 . 1 1 52 52 HIS CB C 52 29.432 29.432 32.023 -2.591 17551 13688 1 20 . 1 1 52 52 HIS H H 52 9.534 9.534 9.180 0.354 17551 13689 1 20 . 1 1 53 53 PHE N N 53 129.837 129.837 123.912 5.925 17551 13690 1 20 . 1 1 53 53 PHE HA H 53 4.584 4.584 4.988 -0.404 17551 13691 1 20 . 1 1 53 53 PHE CA C 53 56.312 56.312 54.081 2.231 17551 13692 1 20 . 1 1 53 53 PHE CB C 53 40.660 40.660 42.284 -1.624 17551 13693 1 20 . 1 1 53 53 PHE H H 53 8.641 8.641 8.598 0.043 17551 13694 1 20 . 1 1 54 54 PRO HA H 54 4.291 4.291 4.374 -0.083 17551 13695 1 20 . 1 1 54 54 PRO C C 54 177.389 177.389 176.652 0.737 17551 13696 1 20 . 1 1 54 54 PRO CA C 54 63.569 63.569 63.560 0.009 17551 13697 1 20 . 1 1 54 54 PRO CB C 54 30.471 30.471 30.636 -0.165 17551 13698 1 20 . 1 1 55 55 GLY N N 55 113.867 113.867 113.496 0.371 17551 13699 1 20 . 1 1 55 55 GLY C C 55 175.164 175.164 174.252 0.912 17551 13700 1 20 . 1 1 55 55 GLY CA C 55 45.258 45.258 45.181 0.077 17551 13701 1 20 . 1 1 55 55 GLY H H 55 8.926 8.926 8.561 0.365 17551 13702 1 20 . 1 1 56 56 GLY N N 56 108.877 108.877 108.727 0.150 17551 13703 1 20 . 1 1 56 56 GLY C C 56 174.054 174.054 173.061 0.993 17551 13704 1 20 . 1 1 56 56 GLY CA C 56 44.534 44.534 44.577 -0.043 17551 13705 1 20 . 1 1 56 56 GLY H H 56 8.426 8.426 7.794 0.632 17551 13706 1 20 . 1 1 57 57 ARG N N 57 123.871 123.871 118.308 5.563 17551 13707 1 20 . 1 1 57 57 ARG HA H 57 4.483 4.483 4.487 -0.004 17551 13708 1 20 . 1 1 57 57 ARG C C 57 176.728 176.728 175.520 1.208 17551 13709 1 20 . 1 1 57 57 ARG CA C 57 56.217 56.217 56.329 -0.112 17551 13710 1 20 . 1 1 57 57 ARG CB C 57 31.388 31.388 30.616 0.772 17551 13711 1 20 . 1 1 57 57 ARG H H 57 8.474 8.474 8.478 -0.004 17551 13712 1 20 . 1 1 58 58 THR N N 58 122.156 122.156 116.338 5.818 17551 13713 1 20 . 1 1 58 58 THR HA H 58 5.299 5.299 4.690 0.609 17551 13714 1 20 . 1 1 58 58 THR C C 58 174.092 174.092 174.513 -0.421 17551 13715 1 20 . 1 1 58 58 THR CA C 58 62.125 62.125 61.193 0.932 17551 13716 1 20 . 1 1 58 58 THR CB C 58 70.339 70.339 71.114 -0.775 17551 13717 1 20 . 1 1 58 58 THR H H 58 8.818 8.818 8.252 0.566 17551 13718 1 20 . 1 1 59 59 THR N N 59 127.287 127.287 125.802 1.485 17551 13719 1 20 . 1 1 59 59 THR HA H 59 4.505 4.505 4.613 -0.108 17551 13720 1 20 . 1 1 59 59 THR C C 59 172.626 172.626 172.679 -0.053 17551 13721 1 20 . 1 1 59 59 THR CA C 59 62.163 62.163 61.908 0.254 17551 13722 1 20 . 1 1 59 59 THR CB C 59 70.565 70.565 70.613 -0.048 17551 13723 1 20 . 1 1 59 59 THR H H 59 9.281 9.281 9.148 0.133 17551 13724 1 20 . 1 1 60 60 THR N N 60 123.658 123.658 123.676 -0.018 17551 13725 1 20 . 1 1 60 60 THR HA H 60 5.105 5.105 5.073 0.032 17551 13726 1 20 . 1 1 60 60 THR C C 60 172.453 172.453 173.591 -1.138 17551 13727 1 20 . 1 1 60 60 THR CA C 60 61.277 61.277 61.562 -0.284 17551 13728 1 20 . 1 1 60 60 THR CB C 60 70.432 70.432 69.888 0.544 17551 13729 1 20 . 1 1 60 60 THR H H 60 8.952 8.952 8.686 0.266 17551 13730 1 20 . 1 1 61 61 ASN N N 61 124.292 124.292 127.107 -2.815 17551 13731 1 20 . 1 1 61 61 ASN HA H 61 5.384 5.384 5.107 0.277 17551 13732 1 20 . 1 1 61 61 ASN C C 61 173.609 173.609 173.895 -0.286 17551 13733 1 20 . 1 1 61 61 ASN CA C 61 52.190 52.190 52.721 -0.531 17551 13734 1 20 . 1 1 61 61 ASN CB C 61 43.987 43.987 42.578 1.409 17551 13735 1 20 . 1 1 61 61 ASN H H 61 8.848 8.848 9.379 -0.531 17551 13736 1 20 . 1 1 62 62 SER N N 62 118.046 118.046 118.389 -0.343 17551 13737 1 20 . 1 1 62 62 SER HA H 62 5.659 5.659 4.899 0.760 17551 13738 1 20 . 1 1 62 62 SER C C 62 172.545 172.545 173.368 -0.823 17551 13739 1 20 . 1 1 62 62 SER CA C 62 56.974 56.974 57.503 -0.529 17551 13740 1 20 . 1 1 62 62 SER CB C 62 64.719 64.719 63.998 0.721 17551 13741 1 20 . 1 1 62 62 SER H H 62 8.986 8.986 8.817 0.169 17551 13742 1 20 . 1 1 63 63 PHE N N 63 118.769 118.769 121.572 -2.803 17551 13743 1 20 . 1 1 63 63 PHE HA H 63 5.016 5.016 5.009 0.007 17551 13744 1 20 . 1 1 63 63 PHE C C 63 172.500 172.500 173.416 -0.916 17551 13745 1 20 . 1 1 63 63 PHE CA C 63 55.793 55.793 56.480 -0.687 17551 13746 1 20 . 1 1 63 63 PHE CB C 63 39.459 39.459 41.486 -2.027 17551 13747 1 20 . 1 1 63 63 PHE H H 63 8.514 8.514 7.966 0.548 17551 13748 1 20 . 1 1 64 64 THR N N 64 120.318 120.318 118.318 2.000 17551 13749 1 20 . 1 1 64 64 THR HA H 64 5.617 5.617 4.959 0.658 17551 13750 1 20 . 1 1 64 64 THR C C 64 175.240 175.240 174.269 0.971 17551 13751 1 20 . 1 1 64 64 THR CA C 64 60.409 60.409 60.981 -0.572 17551 13752 1 20 . 1 1 64 64 THR CB C 64 71.213 71.213 71.005 0.208 17551 13753 1 20 . 1 1 64 64 THR H H 64 9.743 9.743 8.689 1.054 17551 13754 1 20 . 1 1 65 65 ILE N N 65 127.640 127.640 127.046 0.594 17551 13755 1 20 . 1 1 65 65 ILE HA H 65 4.089 4.089 3.871 0.218 17551 13756 1 20 . 1 1 65 65 ILE C C 65 176.477 176.477 177.451 -0.974 17551 13757 1 20 . 1 1 65 65 ILE CA C 65 59.299 59.299 61.645 -2.346 17551 13758 1 20 . 1 1 65 65 ILE CB C 65 35.445 35.445 36.167 -0.722 17551 13759 1 20 . 1 1 65 65 ILE H H 65 8.961 8.961 9.064 -0.103 17551 13760 1 20 . 1 1 66 66 ASP N N 66 117.361 117.361 124.433 -7.072 17551 13761 1 20 . 1 1 66 66 ASP HA H 66 4.080 4.080 4.240 -0.160 17551 13762 1 20 . 1 1 66 66 ASP C C 66 174.730 174.730 174.331 0.399 17551 13763 1 20 . 1 1 66 66 ASP CA C 66 57.150 57.150 55.914 1.236 17551 13764 1 20 . 1 1 66 66 ASP CB C 66 38.442 38.442 40.593 -2.151 17551 13765 1 20 . 1 1 66 66 ASP H H 66 9.264 9.264 9.311 -0.047 17551 13766 1 20 . 1 1 67 67 LYS N N 67 121.171 121.171 119.104 2.067 17551 13767 1 20 . 1 1 67 67 LYS HA H 67 4.805 4.805 4.627 0.178 17551 13768 1 20 . 1 1 67 67 LYS C C 67 175.115 175.115 174.828 0.287 17551 13769 1 20 . 1 1 67 67 LYS CA C 67 53.900 53.900 54.528 -0.628 17551 13770 1 20 . 1 1 67 67 LYS CB C 67 34.256 34.256 35.559 -1.303 17551 13771 1 20 . 1 1 67 67 LYS H H 67 8.185 8.185 7.753 0.432 17551 13772 1 20 . 1 1 68 68 GLU N N 68 130.373 130.373 124.965 5.408 17551 13773 1 20 . 1 1 68 68 GLU HA H 68 4.194 4.194 4.551 -0.357 17551 13774 1 20 . 1 1 68 68 GLU C C 68 175.449 175.449 175.615 -0.166 17551 13775 1 20 . 1 1 68 68 GLU CA C 68 58.343 58.343 56.480 1.863 17551 13776 1 20 . 1 1 68 68 GLU H H 68 8.879 8.879 8.651 0.228 17551 13777 1 20 . 1 1 69 69 ALA N N 69 130.113 130.113 125.570 4.543 17551 13778 1 20 . 1 1 69 69 ALA HA H 69 4.924 4.924 4.599 0.325 17551 13779 1 20 . 1 1 69 69 ALA C C 69 175.797 175.797 175.278 0.519 17551 13780 1 20 . 1 1 69 69 ALA CA C 69 50.151 50.151 50.605 -0.454 17551 13781 1 20 . 1 1 69 69 ALA CB C 69 22.239 22.239 23.070 -0.831 17551 13782 1 20 . 1 1 69 69 ALA H H 69 8.864 8.864 8.896 -0.032 17551 13783 1 20 . 1 1 70 70 ASP N N 70 120.889 120.889 121.833 -0.944 17551 13784 1 20 . 1 1 70 70 ASP HA H 70 4.852 4.852 4.700 0.152 17551 13785 1 20 . 1 1 70 70 ASP C C 70 175.541 175.541 175.339 0.202 17551 13786 1 20 . 1 1 70 70 ASP CA C 70 54.211 54.211 54.072 0.139 17551 13787 1 20 . 1 1 70 70 ASP CB C 70 41.052 41.052 41.535 -0.483 17551 13788 1 20 . 1 1 70 70 ASP H H 70 8.319 8.319 8.668 -0.349 17551 13789 1 20 . 1 1 71 71 MET N N 71 125.005 125.005 123.004 2.001 17551 13790 1 20 . 1 1 71 71 MET HA H 71 4.743 4.743 4.617 0.126 17551 13791 1 20 . 1 1 71 71 MET C C 71 174.047 174.047 174.089 -0.042 17551 13792 1 20 . 1 1 71 71 MET CA C 71 54.265 54.265 54.404 -0.139 17551 13793 1 20 . 1 1 71 71 MET CB C 71 39.844 39.844 36.836 3.008 17551 13794 1 20 . 1 1 71 71 MET H H 71 8.796 8.796 8.577 0.219 17551 13795 1 20 . 1 1 72 72 GLU N N 72 118.909 118.909 119.266 -0.357 17551 13796 1 20 . 1 1 72 72 GLU HA H 72 5.613 5.613 5.451 0.162 17551 13797 1 20 . 1 1 72 72 GLU C C 72 176.109 176.109 175.383 0.726 17551 13798 1 20 . 1 1 72 72 GLU CA C 72 53.790 53.790 55.194 -1.404 17551 13799 1 20 . 1 1 72 72 GLU CB C 72 33.986 33.986 33.715 0.271 17551 13800 1 20 . 1 1 72 72 GLU H H 72 9.225 9.225 8.808 0.417 17551 13801 1 20 . 1 1 73 73 THR N N 73 109.667 109.667 116.513 -6.846 17551 13802 1 20 . 1 1 73 73 THR HA H 73 4.538 4.538 4.604 -0.066 17551 13803 1 20 . 1 1 73 73 THR C C 73 176.660 176.660 175.301 1.359 17551 13804 1 20 . 1 1 73 73 THR CA C 73 59.666 59.666 60.730 -1.064 17551 13805 1 20 . 1 1 73 73 THR CB C 73 69.710 69.710 70.135 -0.425 17551 13806 1 20 . 1 1 73 73 THR H H 73 8.904 8.904 8.445 0.459 17551 13807 1 20 . 1 1 74 74 MET N N 74 117.519 117.519 116.860 0.659 17551 13808 1 20 . 1 1 74 74 MET HA H 74 4.776 4.776 4.548 0.228 17551 13809 1 20 . 1 1 74 74 MET C C 74 176.641 176.641 176.895 -0.254 17551 13810 1 20 . 1 1 74 74 MET CA C 74 58.631 58.631 57.206 1.425 17551 13811 1 20 . 1 1 74 74 MET H H 74 8.206 8.206 8.374 -0.168 17551 13812 1 20 . 1 1 75 75 GLY N N 75 103.810 103.810 104.642 -0.832 17551 13813 1 20 . 1 1 75 75 GLY C C 75 173.956 173.956 174.931 -0.975 17551 13814 1 20 . 1 1 75 75 GLY CA C 75 43.728 43.728 44.770 -1.042 17551 13815 1 20 . 1 1 75 75 GLY H H 75 8.067 8.067 7.602 0.465 17551 13816 1 20 . 1 1 76 76 GLY N N 76 108.498 108.498 108.986 -0.488 17551 13817 1 20 . 1 1 76 76 GLY C C 76 173.267 173.267 173.749 -0.482 17551 13818 1 20 . 1 1 76 76 GLY CA C 76 44.563 44.563 44.673 -0.110 17551 13819 1 20 . 1 1 76 76 GLY H H 76 7.702 7.702 7.471 0.231 17551 13820 1 20 . 1 1 77 77 ARG N N 77 121.161 121.161 119.977 1.184 17551 13821 1 20 . 1 1 77 77 ARG HA H 77 4.348 4.348 4.591 -0.243 17551 13822 1 20 . 1 1 77 77 ARG C C 77 176.083 176.083 175.194 0.889 17551 13823 1 20 . 1 1 77 77 ARG CA C 77 55.350 55.350 54.482 0.868 17551 13824 1 20 . 1 1 77 77 ARG CB C 77 30.904 30.904 32.730 -1.826 17551 13825 1 20 . 1 1 77 77 ARG H H 77 7.328 7.328 7.676 -0.348 17551 13826 1 20 . 1 1 78 78 LYS N N 78 126.790 126.790 125.211 1.579 17551 13827 1 20 . 1 1 78 78 LYS HA H 78 5.147 5.147 4.886 0.261 17551 13828 1 20 . 1 1 78 78 LYS C C 78 176.961 176.961 176.123 0.838 17551 13829 1 20 . 1 1 78 78 LYS CA C 78 55.487 55.487 55.511 -0.024 17551 13830 1 20 . 1 1 78 78 LYS CB C 78 32.769 32.769 32.585 0.184 17551 13831 1 20 . 1 1 78 78 LYS H H 78 8.771 8.771 8.689 0.082 17551 13832 1 20 . 1 1 79 79 PHE N N 79 119.480 119.480 121.783 -2.303 17551 13833 1 20 . 1 1 79 79 PHE HA H 79 4.898 4.898 4.976 -0.078 17551 13834 1 20 . 1 1 79 79 PHE C C 79 171.587 171.587 173.292 -1.705 17551 13835 1 20 . 1 1 79 79 PHE CA C 79 55.817 55.817 56.554 -0.737 17551 13836 1 20 . 1 1 79 79 PHE CB C 79 40.702 40.702 41.383 -0.681 17551 13837 1 20 . 1 1 79 79 PHE H H 79 8.794 8.794 8.160 0.634 17551 13838 1 20 . 1 1 80 80 LYS N N 80 119.760 119.760 119.632 0.128 17551 13839 1 20 . 1 1 80 80 LYS HA H 80 5.460 5.460 5.339 0.121 17551 13840 1 20 . 1 1 80 80 LYS C C 80 176.538 176.538 175.491 1.047 17551 13841 1 20 . 1 1 80 80 LYS CA C 80 53.988 53.988 55.138 -1.150 17551 13842 1 20 . 1 1 80 80 LYS CB C 80 35.754 35.754 36.110 -0.356 17551 13843 1 20 . 1 1 80 80 LYS H H 80 8.414 8.414 8.436 -0.022 17551 13844 1 20 . 1 1 81 81 ALA N N 81 121.171 121.171 125.667 -4.496 17551 13845 1 20 . 1 1 81 81 ALA HA H 81 4.738 4.738 4.597 0.141 17551 13846 1 20 . 1 1 81 81 ALA C C 81 175.290 175.290 174.976 0.314 17551 13847 1 20 . 1 1 81 81 ALA CA C 81 51.262 51.262 51.075 0.187 17551 13848 1 20 . 1 1 81 81 ALA CB C 81 22.568 22.568 22.002 0.566 17551 13849 1 20 . 1 1 81 81 ALA H H 81 8.525 8.525 8.706 -0.181 17551 13850 1 20 . 1 1 82 82 THR N N 82 117.970 117.970 116.387 1.583 17551 13851 1 20 . 1 1 82 82 THR HA H 82 4.292 4.292 4.669 -0.377 17551 13852 1 20 . 1 1 82 82 THR C C 82 172.556 172.556 173.605 -1.049 17551 13853 1 20 . 1 1 82 82 THR CA C 82 61.640 61.640 61.627 0.013 17551 13854 1 20 . 1 1 82 82 THR CB C 82 68.485 68.485 69.433 -0.948 17551 13855 1 20 . 1 1 82 82 THR H H 82 8.448 8.448 8.426 0.022 17551 13856 1 20 . 1 1 83 83 VAL N N 83 131.564 131.564 125.203 6.361 17551 13857 1 20 . 1 1 83 83 VAL HA H 83 3.784 3.784 4.656 -0.872 17551 13858 1 20 . 1 1 83 83 VAL C C 83 174.167 174.167 174.858 -0.691 17551 13859 1 20 . 1 1 83 83 VAL CA C 83 62.059 62.059 60.740 1.319 17551 13860 1 20 . 1 1 83 83 VAL CB C 83 31.076 31.076 33.585 -2.509 17551 13861 1 20 . 1 1 83 83 VAL H H 83 9.722 9.722 7.928 1.794 17551 13862 1 20 . 1 1 84 84 LYS N N 84 125.930 125.930 123.752 2.178 17551 13863 1 20 . 1 1 84 84 LYS HA H 84 4.851 4.851 4.745 0.106 17551 13864 1 20 . 1 1 84 84 LYS C C 84 175.025 175.025 174.188 0.837 17551 13865 1 20 . 1 1 84 84 LYS CA C 84 54.213 54.213 54.255 -0.042 17551 13866 1 20 . 1 1 84 84 LYS CB C 84 35.076 35.076 35.568 -0.492 17551 13867 1 20 . 1 1 84 84 LYS H H 84 8.541 8.541 9.231 -0.690 17551 13868 1 20 . 1 1 85 85 MET N N 85 119.366 119.366 120.075 -0.709 17551 13869 1 20 . 1 1 85 85 MET HA H 85 5.517 5.517 5.355 0.162 17551 13870 1 20 . 1 1 85 85 MET C C 85 175.698 175.698 175.198 0.500 17551 13871 1 20 . 1 1 85 85 MET CA C 85 54.256 54.256 54.659 -0.403 17551 13872 1 20 . 1 1 85 85 MET CB C 85 35.406 35.406 36.441 -1.036 17551 13873 1 20 . 1 1 85 85 MET H H 85 8.992 8.992 8.408 0.584 17551 13874 1 20 . 1 1 86 86 GLU N N 86 125.741 125.741 122.229 3.512 17551 13875 1 20 . 1 1 86 86 GLU HA H 86 4.654 4.654 4.649 0.005 17551 13876 1 20 . 1 1 86 86 GLU C C 86 177.223 177.223 176.940 0.283 17551 13877 1 20 . 1 1 86 86 GLU CA C 86 54.213 54.213 55.495 -1.282 17551 13878 1 20 . 1 1 86 86 GLU CB C 86 31.578 31.578 30.414 1.164 17551 13879 1 20 . 1 1 86 86 GLU H H 86 9.063 9.063 8.992 0.071 17551 13880 1 20 . 1 1 87 87 GLY N N 87 117.720 117.720 114.031 3.689 17551 13881 1 20 . 1 1 87 87 GLY C C 87 175.275 175.275 175.015 0.260 17551 13882 1 20 . 1 1 87 87 GLY CA C 87 46.902 46.902 45.023 1.879 17551 13883 1 20 . 1 1 87 87 GLY H H 87 9.300 9.300 9.196 0.104 17551 13884 1 20 . 1 1 88 88 GLY N N 88 109.070 109.070 105.026 4.044 17551 13885 1 20 . 1 1 88 88 GLY C C 88 172.863 172.863 173.530 -0.667 17551 13886 1 20 . 1 1 88 88 GLY CA C 88 44.853 44.853 45.004 -0.151 17551 13887 1 20 . 1 1 88 88 GLY H H 88 8.739 8.739 8.605 0.134 17551 13888 1 20 . 1 1 89 89 LYS N N 89 120.150 120.150 119.191 0.959 17551 13889 1 20 . 1 1 89 89 LYS HA H 89 5.113 5.113 5.122 -0.009 17551 13890 1 20 . 1 1 89 89 LYS C C 89 175.487 175.487 175.760 -0.273 17551 13891 1 20 . 1 1 89 89 LYS CA C 89 54.363 54.363 54.629 -0.266 17551 13892 1 20 . 1 1 89 89 LYS CB C 89 33.753 33.753 34.623 -0.870 17551 13893 1 20 . 1 1 89 89 LYS H H 89 7.853 7.853 7.139 0.714 17551 13894 1 20 . 1 1 90 90 ILE N N 90 124.537 124.537 126.424 -1.887 17551 13895 1 20 . 1 1 90 90 ILE HA H 90 4.489 4.489 4.356 0.133 17551 13896 1 20 . 1 1 90 90 ILE C C 90 175.679 175.679 174.910 0.769 17551 13897 1 20 . 1 1 90 90 ILE CA C 90 60.930 60.930 61.197 -0.267 17551 13898 1 20 . 1 1 90 90 ILE CB C 90 38.367 38.367 37.279 1.088 17551 13899 1 20 . 1 1 90 90 ILE H H 90 9.081 9.081 8.722 0.359 17551 13900 1 20 . 1 1 91 91 VAL N N 91 124.871 124.871 129.218 -4.347 17551 13901 1 20 . 1 1 91 91 VAL HA H 91 4.591 4.591 4.986 -0.395 17551 13902 1 20 . 1 1 91 91 VAL C C 91 173.890 173.890 173.277 0.613 17551 13903 1 20 . 1 1 91 91 VAL CA C 91 60.743 60.743 59.173 1.570 17551 13904 1 20 . 1 1 91 91 VAL CB C 91 35.279 35.279 35.646 -0.367 17551 13905 1 20 . 1 1 91 91 VAL H H 91 8.786 8.786 8.651 0.135 17551 13906 1 20 . 1 1 92 92 ALA N N 92 129.590 129.590 130.892 -1.302 17551 13907 1 20 . 1 1 92 92 ALA HA H 92 4.563 4.563 4.634 -0.071 17551 13908 1 20 . 1 1 92 92 ALA C C 92 173.855 173.855 175.242 -1.387 17551 13909 1 20 . 1 1 92 92 ALA CA C 92 49.864 49.864 49.726 0.138 17551 13910 1 20 . 1 1 92 92 ALA CB C 92 21.948 21.948 22.064 -0.116 17551 13911 1 20 . 1 1 92 92 ALA H H 92 9.228 9.228 9.036 0.192 17551 13912 1 20 . 1 1 93 93 ASP N N 93 121.654 121.654 122.227 -0.573 17551 13913 1 20 . 1 1 93 93 ASP HA H 93 5.342 5.342 4.808 0.534 17551 13914 1 20 . 1 1 93 93 ASP C C 93 173.521 173.521 174.580 -1.059 17551 13915 1 20 . 1 1 93 93 ASP CA C 93 53.658 53.658 53.694 -0.036 17551 13916 1 20 . 1 1 93 93 ASP CB C 93 44.462 44.462 42.319 2.143 17551 13917 1 20 . 1 1 93 93 ASP H H 93 8.326 8.326 7.687 0.639 17551 13918 1 20 . 1 1 94 94 PHE N N 94 122.296 122.296 123.402 -1.106 17551 13919 1 20 . 1 1 94 94 PHE HA H 94 5.024 5.024 4.838 0.186 17551 13920 1 20 . 1 1 94 94 PHE CA C 94 53.952 53.952 55.467 -1.515 17551 13921 1 20 . 1 1 94 94 PHE CB C 94 38.958 38.958 42.451 -3.493 17551 13922 1 20 . 1 1 94 94 PHE H H 94 8.776 8.776 7.855 0.921 17551 13923 1 20 . 1 1 95 95 PRO HA H 95 4.396 4.396 4.542 -0.146 17551 13924 1 20 . 1 1 95 95 PRO C C 95 177.375 177.375 176.987 0.388 17551 13925 1 20 . 1 1 95 95 PRO CA C 95 64.386 64.386 63.874 0.512 17551 13926 1 20 . 1 1 95 95 PRO CB C 95 30.432 30.432 31.341 -0.909 17551 13927 1 20 . 1 1 96 96 ASN N N 96 120.924 120.924 120.569 0.355 17551 13928 1 20 . 1 1 96 96 ASN HA H 96 4.619 4.619 4.368 0.251 17551 13929 1 20 . 1 1 96 96 ASN C C 96 174.189 174.189 173.454 0.735 17551 13930 1 20 . 1 1 96 96 ASN CA C 96 53.442 53.442 54.655 -1.213 17551 13931 1 20 . 1 1 96 96 ASN CB C 96 38.069 38.069 37.760 0.309 17551 13932 1 20 . 1 1 96 96 ASN H H 96 9.183 9.183 9.111 0.072 17551 13933 1 20 . 1 1 97 97 TYR N N 97 120.943 120.943 119.768 1.175 17551 13934 1 20 . 1 1 97 97 TYR HA H 97 4.804 4.804 5.779 -0.975 17551 13935 1 20 . 1 1 97 97 TYR C C 97 172.713 172.713 173.929 -1.216 17551 13936 1 20 . 1 1 97 97 TYR CA C 97 59.314 59.314 56.397 2.917 17551 13937 1 20 . 1 1 97 97 TYR CB C 97 40.512 40.512 41.036 -0.524 17551 13938 1 20 . 1 1 97 97 TYR H H 97 8.066 8.066 7.312 0.754 17551 13939 1 20 . 1 1 98 98 HIS N N 98 128.370 128.370 128.252 0.118 17551 13940 1 20 . 1 1 98 98 HIS HA H 98 5.466 5.466 5.167 0.299 17551 13941 1 20 . 1 1 98 98 HIS C C 98 172.821 172.821 173.377 -0.556 17551 13942 1 20 . 1 1 98 98 HIS CA C 98 54.311 54.311 54.832 -0.521 17551 13943 1 20 . 1 1 98 98 HIS CB C 98 31.053 31.053 32.389 -1.336 17551 13944 1 20 . 1 1 98 98 HIS H H 98 8.786 8.786 8.764 0.022 17551 13945 1 20 . 1 1 99 99 HIS N N 99 130.146 130.146 129.515 0.631 17551 13946 1 20 . 1 1 99 99 HIS HA H 99 5.689 5.689 5.699 -0.010 17551 13947 1 20 . 1 1 99 99 HIS C C 99 173.405 173.405 174.044 -0.639 17551 13948 1 20 . 1 1 99 99 HIS CA C 99 55.101 55.101 54.185 0.916 17551 13949 1 20 . 1 1 99 99 HIS CB C 99 34.888 34.888 31.960 2.928 17551 13950 1 20 . 1 1 99 99 HIS H H 99 8.963 8.963 8.235 0.728 17551 13951 1 20 . 1 1 100 100 THR N N 100 117.843 117.843 119.798 -1.955 17551 13952 1 20 . 1 1 100 100 THR HA H 100 5.597 5.597 5.327 0.270 17551 13953 1 20 . 1 1 100 100 THR C C 100 172.563 172.563 172.776 -0.213 17551 13954 1 20 . 1 1 100 100 THR CA C 100 57.863 57.863 59.680 -1.817 17551 13955 1 20 . 1 1 100 100 THR CB C 100 71.830 71.830 71.230 0.600 17551 13956 1 20 . 1 1 100 100 THR H H 100 8.871 8.871 8.691 0.180 17551 13957 1 20 . 1 1 101 101 ALA N N 101 121.591 121.591 127.245 -5.654 17551 13958 1 20 . 1 1 101 101 ALA HA H 101 5.318 5.318 5.319 -0.001 17551 13959 1 20 . 1 1 101 101 ALA C C 101 175.540 175.540 175.596 -0.056 17551 13960 1 20 . 1 1 101 101 ALA CA C 101 50.320 50.320 49.940 0.380 17551 13961 1 20 . 1 1 101 101 ALA CB C 101 22.819 22.819 22.038 0.781 17551 13962 1 20 . 1 1 101 101 ALA H H 101 8.825 8.825 8.977 -0.152 17551 13963 1 20 . 1 1 102 102 GLU N N 102 118.491 118.491 120.529 -2.038 17551 13964 1 20 . 1 1 102 102 GLU HA H 102 5.194 5.194 4.995 0.199 17551 13965 1 20 . 1 1 102 102 GLU C C 102 172.497 172.497 174.223 -1.726 17551 13966 1 20 . 1 1 102 102 GLU CA C 102 53.879 53.879 54.903 -1.024 17551 13967 1 20 . 1 1 102 102 GLU H H 102 8.785 8.785 8.403 0.382 17551 13968 1 20 . 1 1 103 103 ILE N N 103 121.813 121.813 120.803 1.010 17551 13969 1 20 . 1 1 103 103 ILE HA H 103 5.129 5.129 5.075 0.054 17551 13970 1 20 . 1 1 103 103 ILE C C 103 177.119 177.119 175.670 1.449 17551 13971 1 20 . 1 1 103 103 ILE CA C 103 56.631 56.631 59.522 -2.891 17551 13972 1 20 . 1 1 103 103 ILE CB C 103 34.564 34.564 37.522 -2.958 17551 13973 1 20 . 1 1 103 103 ILE H H 103 8.442 8.442 8.503 -0.061 17551 13974 1 20 . 1 1 104 104 SER N N 104 122.295 122.295 123.434 -1.139 17551 13975 1 20 . 1 1 104 104 SER HA H 104 4.783 4.783 4.671 0.112 17551 13976 1 20 . 1 1 104 104 SER CA C 104 55.521 55.521 56.936 -1.415 17551 13977 1 20 . 1 1 104 104 SER CB C 104 63.426 63.426 64.079 -0.653 17551 13978 1 20 . 1 1 104 104 SER H H 104 9.119 9.119 9.022 0.097 17551 13979 1 20 . 1 1 105 105 GLY C C 105 175.730 175.730 174.883 0.847 17551 13980 1 20 . 1 1 105 105 GLY CA C 105 46.925 46.925 44.983 1.942 17551 13981 1 20 . 1 1 106 106 GLY N N 106 105.123 105.123 105.177 -0.054 17551 13982 1 20 . 1 1 106 106 GLY C C 106 173.229 173.229 173.462 -0.233 17551 13983 1 20 . 1 1 106 106 GLY CA C 106 44.771 44.771 44.963 -0.192 17551 13984 1 20 . 1 1 106 106 GLY H H 106 8.476 8.476 8.360 0.116 17551 13985 1 20 . 1 1 107 107 LYS N N 107 119.187 119.187 118.182 1.005 17551 13986 1 20 . 1 1 107 107 LYS HA H 107 4.856 4.856 4.763 0.093 17551 13987 1 20 . 1 1 107 107 LYS C C 107 174.072 174.072 174.473 -0.401 17551 13988 1 20 . 1 1 107 107 LYS CA C 107 54.240 54.240 54.839 -0.599 17551 13989 1 20 . 1 1 107 107 LYS CB C 107 34.508 34.508 36.162 -1.654 17551 13990 1 20 . 1 1 107 107 LYS H H 107 7.639 7.639 7.042 0.597 17551 13991 1 20 . 1 1 108 108 LEU N N 108 122.725 122.725 126.179 -3.454 17551 13992 1 20 . 1 1 108 108 LEU HA H 108 4.793 4.793 5.233 -0.440 17551 13993 1 20 . 1 1 108 108 LEU C C 108 174.906 174.906 174.654 0.252 17551 13994 1 20 . 1 1 108 108 LEU CA C 108 54.275 54.275 54.270 0.005 17551 13995 1 20 . 1 1 108 108 LEU CB C 108 42.801 42.801 42.641 0.160 17551 13996 1 20 . 1 1 108 108 LEU H H 108 8.481 8.481 8.743 -0.262 17551 13997 1 20 . 1 1 109 109 VAL N N 109 130.844 130.844 127.853 2.991 17551 13998 1 20 . 1 1 109 109 VAL HA H 109 4.953 4.953 5.234 -0.281 17551 13999 1 20 . 1 1 109 109 VAL C C 109 176.004 176.004 174.116 1.888 17551 14000 1 20 . 1 1 109 109 VAL CA C 109 61.541 61.541 59.227 2.314 17551 14001 1 20 . 1 1 109 109 VAL CB C 109 32.721 32.721 34.638 -1.917 17551 14002 1 20 . 1 1 109 109 VAL H H 109 9.391 9.391 8.986 0.405 17551 14003 1 20 . 1 1 110 110 GLU N N 110 130.618 130.618 129.445 1.173 17551 14004 1 20 . 1 1 110 110 GLU HA H 110 5.393 5.393 5.068 0.325 17551 14005 1 20 . 1 1 110 110 GLU C C 110 175.537 175.537 175.250 0.287 17551 14006 1 20 . 1 1 110 110 GLU CA C 110 53.476 53.476 54.583 -1.107 17551 14007 1 20 . 1 1 110 110 GLU H H 110 9.386 9.386 8.526 0.860 17551 14008 1 20 . 1 1 111 111 ILE N N 111 126.952 126.952 126.192 0.760 17551 14009 1 20 . 1 1 111 111 ILE HA H 111 4.910 4.910 4.746 0.164 17551 14010 1 20 . 1 1 111 111 ILE C C 111 175.156 175.156 174.810 0.346 17551 14011 1 20 . 1 1 111 111 ILE CA C 111 59.562 59.562 59.844 -0.282 17551 14012 1 20 . 1 1 111 111 ILE CB C 111 39.029 39.029 40.139 -1.110 17551 14013 1 20 . 1 1 111 111 ILE H H 111 8.912 8.912 8.812 0.100 17551 14014 1 20 . 1 1 112 112 SER N N 112 125.389 125.389 124.983 0.406 17551 14015 1 20 . 1 1 112 112 SER HA H 112 5.524 5.524 5.452 0.072 17551 14016 1 20 . 1 1 112 112 SER C C 112 172.120 172.120 173.948 -1.828 17551 14017 1 20 . 1 1 112 112 SER CA C 112 55.756 55.756 56.372 -0.616 17551 14018 1 20 . 1 1 112 112 SER CB C 112 64.025 64.025 64.482 -0.457 17551 14019 1 20 . 1 1 112 112 SER H H 112 9.495 9.495 9.039 0.456 17551 14020 1 20 . 1 1 113 113 THR N N 113 119.329 119.329 123.049 -3.720 17551 14021 1 20 . 1 1 113 113 THR HA H 113 5.633 5.633 5.324 0.309 17551 14022 1 20 . 1 1 113 113 THR C C 113 174.911 174.911 174.050 0.861 17551 14023 1 20 . 1 1 113 113 THR CA C 113 60.362 60.362 61.051 -0.689 17551 14024 1 20 . 1 1 113 113 THR CB C 113 70.377 70.377 70.170 0.207 17551 14025 1 20 . 1 1 113 113 THR H H 113 9.274 9.274 8.955 0.319 17551 14026 1 20 . 1 1 114 114 SER N N 114 121.027 121.027 121.597 -0.570 17551 14027 1 20 . 1 1 114 114 SER HA H 114 4.479 4.479 5.449 -0.970 17551 14028 1 20 . 1 1 114 114 SER C C 114 174.507 174.507 174.476 0.031 17551 14029 1 20 . 1 1 114 114 SER CA C 114 57.423 57.423 57.260 0.163 17551 14030 1 20 . 1 1 114 114 SER CB C 114 64.798 64.798 65.548 -0.750 17551 14031 1 20 . 1 1 114 114 SER H H 114 8.657 8.657 8.776 -0.119 17551 14032 1 20 . 1 1 115 115 SER N N 115 122.405 122.405 121.346 1.059 17551 14033 1 20 . 1 1 115 115 SER HA H 115 4.092 4.092 4.191 -0.099 17551 14034 1 20 . 1 1 115 115 SER C C 115 174.387 174.387 174.226 0.161 17551 14035 1 20 . 1 1 115 115 SER CA C 115 58.417 58.417 59.396 -0.979 17551 14036 1 20 . 1 1 115 115 SER CB C 115 61.860 61.860 62.178 -0.318 17551 14037 1 20 . 1 1 115 115 SER H H 115 9.265 9.265 9.265 0.000 17551 14038 1 20 . 1 1 116 116 GLY N N 116 103.741 103.741 104.089 -0.348 17551 14039 1 20 . 1 1 116 116 GLY C C 116 173.618 173.618 174.248 -0.630 17551 14040 1 20 . 1 1 116 116 GLY CA C 116 44.584 44.584 44.761 -0.177 17551 14041 1 20 . 1 1 116 116 GLY H H 116 8.730 8.730 8.442 0.288 17551 14042 1 20 . 1 1 117 117 VAL N N 117 123.819 123.819 123.673 0.146 17551 14043 1 20 . 1 1 117 117 VAL HA H 117 4.242 4.242 4.032 0.210 17551 14044 1 20 . 1 1 117 117 VAL C C 117 173.712 173.712 175.193 -1.481 17551 14045 1 20 . 1 1 117 117 VAL CA C 117 61.946 61.946 62.840 -0.894 17551 14046 1 20 . 1 1 117 117 VAL CB C 117 32.244 32.244 32.489 -0.245 17551 14047 1 20 . 1 1 117 117 VAL H H 117 8.177 8.177 7.709 0.468 17551 14048 1 20 . 1 1 118 118 VAL N N 118 127.074 127.074 127.607 -0.533 17551 14049 1 20 . 1 1 118 118 VAL HA H 118 4.519 4.519 4.270 0.249 17551 14050 1 20 . 1 1 118 118 VAL C C 118 174.793 174.793 174.894 -0.101 17551 14051 1 20 . 1 1 118 118 VAL CA C 118 61.227 61.227 61.486 -0.259 17551 14052 1 20 . 1 1 118 118 VAL CB C 118 32.503 32.503 32.309 0.194 17551 14053 1 20 . 1 1 118 118 VAL H H 118 8.441 8.441 8.516 -0.075 17551 14054 1 20 . 1 1 119 119 TYR N N 119 131.178 131.178 130.719 0.459 17551 14055 1 20 . 1 1 119 119 TYR HA H 119 5.095 5.095 4.827 0.268 17551 14056 1 20 . 1 1 119 119 TYR C C 119 173.029 173.029 173.349 -0.320 17551 14057 1 20 . 1 1 119 119 TYR CA C 119 54.862 54.862 55.875 -1.013 17551 14058 1 20 . 1 1 119 119 TYR CB C 119 40.213 40.213 41.080 -0.867 17551 14059 1 20 . 1 1 119 119 TYR H H 119 9.315 9.315 9.062 0.253 17551 14060 1 20 . 1 1 120 120 LYS N N 120 126.654 126.654 127.507 -0.853 17551 14061 1 20 . 1 1 120 120 LYS HA H 120 4.922 4.922 5.081 -0.159 17551 14062 1 20 . 1 1 120 120 LYS C C 120 173.813 173.813 174.615 -0.802 17551 14063 1 20 . 1 1 120 120 LYS CA C 120 53.685 53.685 54.135 -0.450 17551 14064 1 20 . 1 1 120 120 LYS CB C 120 36.014 36.014 36.131 -0.117 17551 14065 1 20 . 1 1 120 120 LYS H H 120 7.342 7.342 8.600 -1.258 17551 14066 1 20 . 1 1 121 121 ARG N N 121 124.124 124.124 121.393 2.731 17551 14067 1 20 . 1 1 121 121 ARG HA H 121 4.798 4.798 4.749 0.049 17551 14068 1 20 . 1 1 121 121 ARG C C 121 174.874 174.874 174.649 0.225 17551 14069 1 20 . 1 1 121 121 ARG CB C 121 34.257 34.257 33.294 0.963 17551 14070 1 20 . 1 1 121 121 ARG H H 121 9.087 9.087 8.480 0.607 17551 14071 1 20 . 1 1 122 122 THR N N 122 122.859 122.859 120.929 1.930 17551 14072 1 20 . 1 1 122 122 THR HA H 122 5.224 5.224 5.249 -0.025 17551 14073 1 20 . 1 1 122 122 THR C C 122 174.321 174.321 174.051 0.270 17551 14074 1 20 . 1 1 122 122 THR CA C 122 62.177 62.177 61.192 0.985 17551 14075 1 20 . 1 1 122 122 THR CB C 122 69.459 69.459 70.538 -1.079 17551 14076 1 20 . 1 1 122 122 THR H H 122 9.358 9.358 8.950 0.408 17551 14077 1 20 . 1 1 123 123 SER N N 123 123.389 123.389 122.678 0.711 17551 14078 1 20 . 1 1 123 123 SER HA H 123 5.196 5.196 5.442 -0.246 17551 14079 1 20 . 1 1 123 123 SER C C 123 172.464 172.464 173.555 -1.091 17551 14080 1 20 . 1 1 123 123 SER CA C 123 57.571 57.571 57.293 0.278 17551 14081 1 20 . 1 1 123 123 SER CB C 123 65.697 65.697 66.104 -0.407 17551 14082 1 20 . 1 1 123 123 SER H H 123 9.749 9.749 9.369 0.380 17551 14083 1 20 . 1 1 124 124 LYS N N 124 125.058 125.058 123.403 1.655 17551 14084 1 20 . 1 1 124 124 LYS HA H 124 4.681 4.681 4.513 0.168 17551 14085 1 20 . 1 1 124 124 LYS C C 124 175.141 175.141 175.656 -0.515 17551 14086 1 20 . 1 1 124 124 LYS CA C 124 54.444 54.444 55.754 -1.310 17551 14087 1 20 . 1 1 124 124 LYS CB C 124 33.492 33.492 33.853 -0.361 17551 14088 1 20 . 1 1 124 124 LYS H H 124 8.808 8.808 8.497 0.311 17551 14089 1 20 . 1 1 125 125 LYS N N 125 126.114 126.114 123.875 2.239 17551 14090 1 20 . 1 1 125 125 LYS HA H 125 4.367 4.367 4.770 -0.403 17551 14091 1 20 . 1 1 125 125 LYS C C 125 176.828 176.828 175.454 1.374 17551 14092 1 20 . 1 1 125 125 LYS CA C 125 56.752 56.752 54.992 1.760 17551 14093 1 20 . 1 1 125 125 LYS CB C 125 32.912 32.912 32.631 0.281 17551 14094 1 20 . 1 1 125 125 LYS H H 125 9.215 9.215 8.608 0.607 17551 14095 1 20 . 1 1 126 126 ILE N N 126 125.207 125.207 125.289 -0.082 17551 14096 1 20 . 1 1 126 126 ILE HA H 126 4.302 4.302 4.601 -0.299 17551 14097 1 20 . 1 1 126 126 ILE C C 126 175.240 175.240 173.741 1.499 17551 14098 1 20 . 1 1 126 126 ILE CA C 126 60.067 60.067 59.651 0.416 17551 14099 1 20 . 1 1 126 126 ILE CB C 126 38.611 38.611 41.554 -2.943 17551 14100 1 20 . 1 1 126 126 ILE H H 126 8.777 8.777 8.587 0.190 17551 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 121 3.041 -0.219 3.046 17551 2 1 1 "Average Difference" HA 138 0.345 -0.018 0.346 17551 3 1 1 "Average Difference" C 121 0.902 0.052 0.904 17551 4 1 1 "Average Difference" CA 123 1.124 0.073 1.126 17551 5 1 1 "Average Difference" CB 107 1.355 0.275 1.334 17551 6 1 1 "Average Difference" HN 121 0.516 -0.173 0.488 17551 7 1 2 "Average Difference" N 121 3.069 -0.292 3.067 17551 8 1 2 "Average Difference" HA 138 0.334 -0.005 0.336 17551 9 1 2 "Average Difference" C 121 0.906 -0.026 0.909 17551 10 1 2 "Average Difference" CA 123 1.106 0.067 1.109 17551 11 1 2 "Average Difference" CB 107 1.289 0.396 1.233 17551 12 1 2 "Average Difference" HN 121 0.494 -0.162 0.469 17551 13 1 3 "Average Difference" N 121 2.864 -0.186 2.870 17551 14 1 3 "Average Difference" HA 138 0.326 -0.040 0.325 17551 15 1 3 "Average Difference" C 121 0.900 -0.030 0.903 17551 16 1 3 "Average Difference" CA 123 1.113 0.143 1.108 17551 17 1 3 "Average Difference" CB 107 1.291 0.312 1.259 17551 18 1 3 "Average Difference" HN 121 0.488 -0.170 0.459 17551 19 1 4 "Average Difference" N 121 2.951 -0.211 2.956 17551 20 1 4 "Average Difference" HA 138 0.337 -0.011 0.338 17551 21 1 4 "Average Difference" C 121 0.893 -0.008 0.897 17551 22 1 4 "Average Difference" CA 123 1.174 0.071 1.176 17551 23 1 4 "Average Difference" CB 107 1.345 0.399 1.290 17551 24 1 4 "Average Difference" HN 121 0.491 -0.190 0.454 17551 25 1 5 "Average Difference" N 121 3.063 -0.373 3.052 17551 26 1 5 "Average Difference" HA 138 0.334 -0.025 0.334 17551 27 1 5 "Average Difference" C 121 0.891 0.044 0.894 17551 28 1 5 "Average Difference" CA 123 1.111 0.053 1.115 17551 29 1 5 "Average Difference" CB 107 1.349 0.300 1.321 17551 30 1 5 "Average Difference" HN 121 0.511 -0.191 0.476 17551 31 1 6 "Average Difference" N 121 3.134 -0.283 3.135 17551 32 1 6 "Average Difference" HA 138 0.331 -0.004 0.333 17551 33 1 6 "Average Difference" C 121 0.906 0.001 0.910 17551 34 1 6 "Average Difference" CA 123 1.158 0.072 1.161 17551 35 1 6 "Average Difference" CB 107 1.361 0.325 1.328 17551 36 1 6 "Average Difference" HN 121 0.503 -0.185 0.470 17551 37 1 7 "Average Difference" N 121 2.984 -0.292 2.982 17551 38 1 7 "Average Difference" HA 138 0.341 -0.033 0.341 17551 39 1 7 "Average Difference" C 121 0.847 0.017 0.850 17551 40 1 7 "Average Difference" CA 123 1.155 0.088 1.156 17551 41 1 7 "Average Difference" CB 107 1.305 0.301 1.276 17551 42 1 7 "Average Difference" HN 121 0.557 -0.210 0.518 17551 43 1 8 "Average Difference" N 121 2.988 -0.170 2.995 17551 44 1 8 "Average Difference" HA 138 0.343 -0.037 0.342 17551 45 1 8 "Average Difference" C 121 0.845 0.039 0.848 17551 46 1 8 "Average Difference" CA 123 1.129 0.155 1.123 17551 47 1 8 "Average Difference" CB 107 1.262 0.277 1.237 17551 48 1 8 "Average Difference" HN 121 0.519 -0.187 0.487 17551 49 1 9 "Average Difference" N 121 3.116 -0.163 3.124 17551 50 1 9 "Average Difference" HA 138 0.349 -0.032 0.349 17551 51 1 9 "Average Difference" C 121 0.867 0.019 0.870 17551 52 1 9 "Average Difference" CA 123 1.133 0.132 1.130 17551 53 1 9 "Average Difference" CB 107 1.250 0.257 1.229 17551 54 1 9 "Average Difference" HN 121 0.529 -0.189 0.496 17551 55 1 10 "Average Difference" N 121 3.165 -0.309 3.163 17551 56 1 10 "Average Difference" HA 138 0.341 -0.011 0.342 17551 57 1 10 "Average Difference" C 121 0.885 -0.015 0.888 17551 58 1 10 "Average Difference" CA 123 1.103 0.049 1.106 17551 59 1 10 "Average Difference" CB 107 1.302 0.394 1.246 17551 60 1 10 "Average Difference" HN 121 0.481 -0.158 0.456 17551 61 1 11 "Average Difference" N 121 3.047 -0.381 3.036 17551 62 1 11 "Average Difference" HA 138 0.345 -0.013 0.346 17551 63 1 11 "Average Difference" C 121 0.867 0.041 0.870 17551 64 1 11 "Average Difference" CA 123 1.142 0.068 1.144 17551 65 1 11 "Average Difference" CB 107 1.320 0.317 1.288 17551 66 1 11 "Average Difference" HN 121 0.521 -0.173 0.493 17551 67 1 12 "Average Difference" N 121 3.041 -0.181 3.048 17551 68 1 12 "Average Difference" HA 138 0.335 -0.014 0.336 17551 69 1 12 "Average Difference" C 121 0.866 0.002 0.869 17551 70 1 12 "Average Difference" CA 123 1.158 0.080 1.160 17551 71 1 12 "Average Difference" CB 107 1.325 0.341 1.286 17551 72 1 12 "Average Difference" HN 121 0.485 -0.197 0.445 17551 73 1 13 "Average Difference" N 121 2.920 -0.180 2.927 17551 74 1 13 "Average Difference" HA 138 0.324 -0.032 0.324 17551 75 1 13 "Average Difference" C 121 0.862 0.013 0.866 17551 76 1 13 "Average Difference" CA 123 1.119 0.095 1.120 17551 77 1 13 "Average Difference" CB 107 1.222 0.284 1.194 17551 78 1 13 "Average Difference" HN 121 0.492 -0.163 0.467 17551 79 1 14 "Average Difference" N 121 2.894 -0.198 2.900 17551 80 1 14 "Average Difference" HA 138 0.339 -0.017 0.340 17551 81 1 14 "Average Difference" C 121 0.883 0.041 0.885 17551 82 1 14 "Average Difference" CA 123 1.142 0.069 1.145 17551 83 1 14 "Average Difference" CB 107 1.227 0.330 1.188 17551 84 1 14 "Average Difference" HN 121 0.477 -0.174 0.446 17551 85 1 15 "Average Difference" N 121 3.001 -0.060 3.013 17551 86 1 15 "Average Difference" HA 138 0.346 -0.032 0.346 17551 87 1 15 "Average Difference" C 121 0.891 0.061 0.893 17551 88 1 15 "Average Difference" CA 123 1.088 0.100 1.088 17551 89 1 15 "Average Difference" CB 107 1.291 0.257 1.271 17551 90 1 15 "Average Difference" HN 121 0.495 -0.188 0.460 17551 91 1 16 "Average Difference" N 121 3.000 -0.075 3.012 17551 92 1 16 "Average Difference" HA 138 0.379 -0.020 0.380 17551 93 1 16 "Average Difference" C 121 0.895 0.023 0.898 17551 94 1 16 "Average Difference" CA 123 1.156 0.110 1.155 17551 95 1 16 "Average Difference" CB 107 1.356 0.281 1.333 17551 96 1 16 "Average Difference" HN 121 0.506 -0.192 0.470 17551 97 1 17 "Average Difference" N 121 2.961 -0.163 2.969 17551 98 1 17 "Average Difference" HA 138 0.363 -0.028 0.363 17551 99 1 17 "Average Difference" C 121 0.944 0.024 0.948 17551 100 1 17 "Average Difference" CA 123 1.192 0.082 1.195 17551 101 1 17 "Average Difference" CB 107 1.330 0.331 1.295 17551 102 1 17 "Average Difference" HN 121 0.484 -0.182 0.450 17551 103 1 18 "Average Difference" N 121 3.022 -0.318 3.017 17551 104 1 18 "Average Difference" HA 138 0.355 -0.026 0.355 17551 105 1 18 "Average Difference" C 121 0.892 0.032 0.895 17551 106 1 18 "Average Difference" CA 123 1.131 0.109 1.131 17551 107 1 18 "Average Difference" CB 107 1.376 0.347 1.338 17551 108 1 18 "Average Difference" HN 121 0.511 -0.181 0.480 17551 109 1 19 "Average Difference" N 121 2.913 -0.354 2.903 17551 110 1 19 "Average Difference" HA 138 0.318 -0.015 0.318 17551 111 1 19 "Average Difference" C 121 0.853 0.014 0.857 17551 112 1 19 "Average Difference" CA 123 1.111 0.050 1.114 17551 113 1 19 "Average Difference" CB 107 1.285 0.385 1.232 17551 114 1 19 "Average Difference" HN 121 0.488 -0.176 0.457 17551 115 1 20 "Average Difference" N 121 3.040 -0.158 3.048 17551 116 1 20 "Average Difference" HA 138 0.345 -0.020 0.346 17551 117 1 20 "Average Difference" C 121 0.891 -0.004 0.895 17551 118 1 20 "Average Difference" CA 123 1.079 0.103 1.079 17551 119 1 20 "Average Difference" CB 107 1.268 0.382 1.215 17551 120 1 20 "Average Difference" HN 121 0.507 -0.167 0.481 17551 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 17551 _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 PHE N N 2 114.421 114.421 119.021 -4.600 17551 2 1 . 1 1 2 2 PHE HA H 2 4.205 4.205 4.843 -0.638 17551 3 1 . 1 1 2 2 PHE C C 2 177.675 177.675 176.659 1.016 17551 4 1 . 1 1 2 2 PHE CA C 2 59.748 59.748 58.107 1.641 17551 5 1 . 1 1 2 2 PHE CB C 2 41.014 41.014 39.723 1.291 17551 6 1 . 1 1 2 2 PHE H H 2 9.501 9.501 8.455 1.046 17551 7 1 . 1 1 3 3 THR N N 3 118.304 118.304 115.925 2.379 17551 8 1 . 1 1 3 3 THR HA H 3 4.021 4.021 4.402 -0.381 17551 9 1 . 1 1 3 3 THR C C 3 173.811 173.811 174.923 -1.112 17551 10 1 . 1 1 3 3 THR CA C 3 63.646 63.646 64.199 -0.553 17551 11 1 . 1 1 3 3 THR CB C 3 69.230 69.230 69.062 0.168 17551 12 1 . 1 1 3 3 THR H H 3 7.721 7.721 8.048 -0.327 17551 13 1 . 1 1 4 4 GLY N N 4 113.320 113.320 112.000 1.320 17551 14 1 . 1 1 4 4 GLY C C 4 169.382 169.382 171.933 -2.551 17551 15 1 . 1 1 4 4 GLY CA C 4 44.343 44.343 44.562 -0.218 17551 16 1 . 1 1 4 4 GLY H H 4 8.881 8.881 8.528 0.353 17551 17 1 . 1 1 5 5 LYS N N 5 120.330 120.330 120.336 -0.006 17551 18 1 . 1 1 5 5 LYS HA H 5 5.255 5.255 5.229 0.026 17551 19 1 . 1 1 5 5 LYS C C 5 174.306 174.306 174.796 -0.490 17551 20 1 . 1 1 5 5 LYS CA C 5 54.232 54.232 54.383 -0.151 17551 21 1 . 1 1 5 5 LYS CB C 5 35.137 35.137 35.227 -0.090 17551 22 1 . 1 1 5 5 LYS H H 5 7.914 7.914 7.986 -0.072 17551 23 1 . 1 1 6 6 TYR N N 6 122.260 122.260 122.327 -0.067 17551 24 1 . 1 1 6 6 TYR HA H 6 5.617 5.617 5.810 -0.193 17551 25 1 . 1 1 6 6 TYR C C 6 174.519 174.519 175.483 -0.964 17551 26 1 . 1 1 6 6 TYR CA C 6 55.158 55.158 56.162 -1.003 17551 27 1 . 1 1 6 6 TYR CB C 6 41.637 41.637 42.551 -0.914 17551 28 1 . 1 1 6 6 TYR H H 6 9.736 9.736 8.895 0.841 17551 29 1 . 1 1 7 7 GLU N N 7 122.025 122.025 120.761 1.264 17551 30 1 . 1 1 7 7 GLU HA H 7 5.096 5.096 5.178 -0.082 17551 31 1 . 1 1 7 7 GLU C C 7 174.888 174.888 175.506 -0.618 17551 32 1 . 1 1 7 7 GLU CA C 7 53.988 53.988 53.833 0.155 17551 33 1 . 1 1 7 7 GLU CB C 7 33.716 33.716 34.544 -0.828 17551 34 1 . 1 1 7 7 GLU H H 7 9.461 9.461 8.604 0.857 17551 35 1 . 1 1 8 8 PHE N N 8 126.529 126.529 123.713 2.816 17551 36 1 . 1 1 8 8 PHE HA H 8 4.599 4.599 4.305 0.294 17551 37 1 . 1 1 8 8 PHE C C 8 172.999 172.999 174.998 -1.999 17551 38 1 . 1 1 8 8 PHE CA C 8 59.847 59.847 60.112 -0.265 17551 39 1 . 1 1 8 8 PHE CB C 8 40.687 40.687 39.271 1.416 17551 40 1 . 1 1 8 8 PHE H H 8 7.986 7.986 8.773 -0.787 17551 41 1 . 1 1 9 9 GLU N N 9 129.046 129.046 127.204 1.842 17551 42 1 . 1 1 9 9 GLU HA H 9 4.306 4.306 4.422 -0.116 17551 43 1 . 1 1 9 9 GLU C C 9 174.528 174.528 175.695 -1.167 17551 44 1 . 1 1 9 9 GLU CA C 9 56.545 56.545 56.752 -0.207 17551 45 1 . 1 1 9 9 GLU CB C 9 32.798 32.798 32.254 0.544 17551 46 1 . 1 1 9 9 GLU H H 9 9.151 9.151 8.546 0.605 17551 47 1 . 1 1 10 10 SER N N 10 111.041 111.041 113.424 -2.383 17551 48 1 . 1 1 10 10 SER HA H 10 4.258 4.258 4.742 -0.484 17551 49 1 . 1 1 10 10 SER C C 10 171.216 171.216 172.037 -0.822 17551 50 1 . 1 1 10 10 SER CA C 10 57.930 57.930 57.532 0.398 17551 51 1 . 1 1 10 10 SER CB C 10 64.720 64.720 66.248 -1.528 17551 52 1 . 1 1 10 10 SER H H 10 7.612 7.612 7.877 -0.265 17551 53 1 . 1 1 11 11 ASP N N 11 118.058 118.058 119.271 -1.213 17551 54 1 . 1 1 11 11 ASP HA H 11 5.500 5.500 5.289 0.211 17551 55 1 . 1 1 11 11 ASP C C 11 174.845 174.845 174.746 0.099 17551 56 1 . 1 1 11 11 ASP CA C 11 51.633 51.633 53.383 -1.750 17551 57 1 . 1 1 11 11 ASP H H 11 8.632 8.632 8.446 0.186 17551 58 1 . 1 1 12 12 GLU N N 12 117.523 117.523 120.694 -3.171 17551 59 1 . 1 1 12 12 GLU HA H 12 4.782 4.782 4.640 0.142 17551 60 1 . 1 1 12 12 GLU C C 12 175.293 175.293 175.747 -0.454 17551 61 1 . 1 1 12 12 GLU CB C 12 33.450 33.450 33.070 0.380 17551 62 1 . 1 1 12 12 GLU H H 12 8.562 8.562 8.899 -0.337 17551 63 1 . 1 1 13 13 ASN N N 13 118.877 118.877 121.354 -2.477 17551 64 1 . 1 1 13 13 ASN HA H 13 4.742 4.742 4.519 0.223 17551 65 1 . 1 1 13 13 ASN C C 13 175.303 175.303 175.143 0.160 17551 66 1 . 1 1 13 13 ASN CA C 13 53.373 53.373 54.427 -1.054 17551 67 1 . 1 1 13 13 ASN CB C 13 37.207 37.207 37.319 -0.113 17551 68 1 . 1 1 13 13 ASN H H 13 9.110 9.110 9.132 -0.022 17551 69 1 . 1 1 14 14 TYR N N 14 118.061 118.061 120.605 -2.544 17551 70 1 . 1 1 14 14 TYR HA H 14 4.015 4.015 4.223 -0.208 17551 71 1 . 1 1 14 14 TYR C C 14 176.581 176.581 176.573 0.008 17551 72 1 . 1 1 14 14 TYR CA C 14 62.797 62.797 62.941 -0.143 17551 73 1 . 1 1 14 14 TYR CB C 14 38.998 38.998 38.681 0.317 17551 74 1 . 1 1 14 14 TYR H H 14 8.731 8.731 8.132 0.599 17551 75 1 . 1 1 15 15 ASP N N 15 115.317 115.317 118.237 -2.920 17551 76 1 . 1 1 15 15 ASP HA H 15 4.112 4.112 4.362 -0.250 17551 77 1 . 1 1 15 15 ASP C C 15 178.333 178.333 178.302 0.031 17551 78 1 . 1 1 15 15 ASP CA C 15 57.819 57.819 58.881 -1.062 17551 79 1 . 1 1 15 15 ASP CB C 15 40.410 40.410 40.069 0.341 17551 80 1 . 1 1 15 15 ASP H H 15 8.316 8.316 9.038 -0.722 17551 81 1 . 1 1 16 16 ASP N N 16 117.774 117.774 119.774 -2.000 17551 82 1 . 1 1 16 16 ASP HA H 16 4.392 4.392 4.411 -0.018 17551 83 1 . 1 1 16 16 ASP C C 16 178.597 178.597 178.155 0.442 17551 84 1 . 1 1 16 16 ASP CA C 16 56.348 56.348 57.379 -1.031 17551 85 1 . 1 1 16 16 ASP CB C 16 39.883 39.883 40.873 -0.990 17551 86 1 . 1 1 16 16 ASP H H 16 8.449 8.449 8.367 0.082 17551 87 1 . 1 1 17 17 PHE N N 17 120.363 120.363 120.946 -0.583 17551 88 1 . 1 1 17 17 PHE HA H 17 4.068 4.068 4.099 -0.031 17551 89 1 . 1 1 17 17 PHE C C 17 176.755 176.755 177.073 -0.318 17551 90 1 . 1 1 17 17 PHE CA C 17 61.840 61.840 61.154 0.686 17551 91 1 . 1 1 17 17 PHE CB C 17 39.794 39.794 39.073 0.721 17551 92 1 . 1 1 17 17 PHE H H 17 7.931 7.931 7.885 0.046 17551 93 1 . 1 1 18 18 VAL N N 18 110.180 110.180 116.849 -6.669 17551 94 1 . 1 1 18 18 VAL HA H 18 3.595 3.595 3.351 0.244 17551 95 1 . 1 1 18 18 VAL C C 18 178.434 178.434 177.701 0.733 17551 96 1 . 1 1 18 18 VAL CA C 18 64.697 64.697 66.530 -1.833 17551 97 1 . 1 1 18 18 VAL CB C 18 29.602 29.602 31.190 -1.588 17551 98 1 . 1 1 18 18 VAL H H 18 8.294 8.294 8.386 -0.092 17551 99 1 . 1 1 19 19 LYS N N 19 119.749 119.749 118.241 1.508 17551 100 1 . 1 1 19 19 LYS HA H 19 4.108 4.108 4.088 0.020 17551 101 1 . 1 1 19 19 LYS C C 19 179.796 179.796 178.897 0.899 17551 102 1 . 1 1 19 19 LYS CA C 19 58.320 58.320 58.196 0.124 17551 103 1 . 1 1 19 19 LYS CB C 19 31.918 31.918 31.931 -0.013 17551 104 1 . 1 1 19 19 LYS H H 19 7.382 7.382 8.251 -0.869 17551 105 1 . 1 1 20 20 LYS N N 20 121.187 121.187 119.748 1.439 17551 106 1 . 1 1 20 20 LYS HA H 20 4.071 4.071 4.126 -0.055 17551 107 1 . 1 1 20 20 LYS C C 20 179.071 179.071 178.655 0.416 17551 108 1 . 1 1 20 20 LYS CA C 20 57.347 57.347 58.148 -0.801 17551 109 1 . 1 1 20 20 LYS CB C 20 30.633 30.633 32.488 -1.855 17551 110 1 . 1 1 20 20 LYS H H 20 7.718 7.718 7.364 0.354 17551 111 1 . 1 1 21 21 ILE N N 21 109.363 109.363 112.039 -2.676 17551 112 1 . 1 1 21 21 ILE HA H 21 4.212 4.212 3.979 0.233 17551 113 1 . 1 1 21 21 ILE C C 21 176.366 176.366 176.257 0.109 17551 114 1 . 1 1 21 21 ILE CA C 21 61.610 61.610 61.739 -0.129 17551 115 1 . 1 1 21 21 ILE CB C 21 36.968 36.968 37.987 -1.019 17551 116 1 . 1 1 21 21 ILE H H 21 7.591 7.591 7.634 -0.043 17551 117 1 . 1 1 22 22 GLY N N 22 107.961 107.961 108.361 -0.400 17551 118 1 . 1 1 22 22 GLY C C 22 174.877 174.877 174.715 0.162 17551 119 1 . 1 1 22 22 GLY CA C 22 45.510 45.510 44.851 0.658 17551 120 1 . 1 1 22 22 GLY H H 22 7.260 7.260 7.364 -0.104 17551 121 1 . 1 1 23 23 LEU N N 23 120.597 120.597 122.550 -1.953 17551 122 1 . 1 1 23 23 LEU HA H 23 4.207 4.207 4.490 -0.283 17551 123 1 . 1 1 23 23 LEU CA C 23 52.923 52.923 52.736 0.187 17551 124 1 . 1 1 23 23 LEU CB C 23 42.241 42.241 42.723 -0.482 17551 125 1 . 1 1 23 23 LEU H H 23 7.314 7.314 7.861 -0.547 17551 126 1 . 1 1 24 24 PRO HA H 24 4.537 4.537 4.487 0.050 17551 127 1 . 1 1 24 24 PRO C C 24 177.702 177.702 177.361 0.341 17551 128 1 . 1 1 24 24 PRO CA C 24 61.891 61.891 62.412 -0.521 17551 129 1 . 1 1 24 24 PRO CB C 24 32.260 32.260 32.681 -0.421 17551 130 1 . 1 1 25 25 ALA N N 25 123.142 123.142 127.329 -4.187 17551 131 1 . 1 1 25 25 ALA HA H 25 3.935 3.935 3.981 -0.046 17551 132 1 . 1 1 25 25 ALA C C 25 179.461 179.461 179.484 -0.023 17551 133 1 . 1 1 25 25 ALA CA C 25 55.314 55.314 55.451 -0.137 17551 134 1 . 1 1 25 25 ALA CB C 25 18.220 18.220 18.463 -0.243 17551 135 1 . 1 1 25 25 ALA H H 25 8.738 8.738 8.724 0.014 17551 136 1 . 1 1 26 26 ASP N N 26 115.440 115.440 117.437 -1.997 17551 137 1 . 1 1 26 26 ASP HA H 26 4.379 4.379 4.389 -0.010 17551 138 1 . 1 1 26 26 ASP C C 26 179.291 179.291 178.486 0.805 17551 139 1 . 1 1 26 26 ASP CA C 26 56.015 56.015 57.425 -1.410 17551 140 1 . 1 1 26 26 ASP CB C 26 38.136 38.136 40.402 -2.266 17551 141 1 . 1 1 26 26 ASP H H 26 8.971 8.971 8.766 0.205 17551 142 1 . 1 1 27 27 LYS N N 27 122.292 122.292 118.265 4.027 17551 143 1 . 1 1 27 27 LYS HA H 27 4.160 4.160 4.325 -0.164 17551 144 1 . 1 1 27 27 LYS C C 27 177.758 177.758 178.743 -0.985 17551 145 1 . 1 1 27 27 LYS CA C 27 58.022 58.022 57.098 0.924 17551 146 1 . 1 1 27 27 LYS CB C 27 31.334 31.334 32.551 -1.217 17551 147 1 . 1 1 27 27 LYS H H 27 7.434 7.434 7.589 -0.155 17551 148 1 . 1 1 28 28 ILE N N 28 119.737 119.737 122.120 -2.383 17551 149 1 . 1 1 28 28 ILE HA H 28 3.586 3.586 3.826 -0.240 17551 150 1 . 1 1 28 28 ILE C C 28 180.386 180.386 178.070 2.316 17551 151 1 . 1 1 28 28 ILE CA C 28 65.027 65.027 65.615 -0.588 17551 152 1 . 1 1 28 28 ILE CB C 28 37.002 37.002 38.060 -1.058 17551 153 1 . 1 1 28 28 ILE H H 28 8.016 8.016 8.555 -0.539 17551 154 1 . 1 1 29 29 GLU N N 29 117.216 117.216 117.184 0.032 17551 155 1 . 1 1 29 29 GLU HA H 29 4.294 4.294 4.133 0.161 17551 156 1 . 1 1 29 29 GLU C C 29 179.024 179.024 178.965 0.059 17551 157 1 . 1 1 29 29 GLU CA C 29 58.139 58.139 58.651 -0.512 17551 158 1 . 1 1 29 29 GLU CB C 29 28.028 28.028 29.426 -1.398 17551 159 1 . 1 1 29 29 GLU H H 29 7.755 7.755 8.214 -0.459 17551 160 1 . 1 1 30 30 MET N N 30 119.183 119.183 120.027 -0.844 17551 161 1 . 1 1 30 30 MET HA H 30 4.194 4.194 4.433 -0.239 17551 162 1 . 1 1 30 30 MET C C 30 177.683 177.683 177.129 0.554 17551 163 1 . 1 1 30 30 MET CA C 30 58.150 58.150 56.779 1.371 17551 164 1 . 1 1 30 30 MET CB C 30 33.162 33.162 33.049 0.113 17551 165 1 . 1 1 30 30 MET H H 30 7.659 7.659 7.640 0.019 17551 166 1 . 1 1 31 31 GLY N N 31 102.603 102.603 104.940 -2.337 17551 167 1 . 1 1 31 31 GLY C C 31 172.264 172.264 173.114 -0.850 17551 168 1 . 1 1 31 31 GLY CA C 31 45.433 45.433 44.636 0.797 17551 169 1 . 1 1 31 31 GLY H H 31 7.839 7.839 8.384 -0.545 17551 170 1 . 1 1 32 32 ARG N N 32 121.453 121.453 119.985 1.468 17551 171 1 . 1 1 32 32 ARG HA H 32 3.072 3.072 4.238 -1.166 17551 172 1 . 1 1 32 32 ARG C C 32 175.932 175.932 175.284 0.648 17551 173 1 . 1 1 32 32 ARG CA C 32 56.894 56.894 55.283 1.611 17551 174 1 . 1 1 32 32 ARG CB C 32 29.004 29.004 30.942 -1.937 17551 175 1 . 1 1 32 32 ARG H H 32 6.954 6.954 7.464 -0.510 17551 176 1 . 1 1 33 33 ASN N N 33 127.905 127.905 116.849 11.056 17551 177 1 . 1 1 33 33 ASN HA H 33 4.066 4.066 3.951 0.115 17551 178 1 . 1 1 33 33 ASN C C 33 173.939 173.939 174.143 -0.204 17551 179 1 . 1 1 33 33 ASN CA C 33 53.539 53.539 54.045 -0.506 17551 180 1 . 1 1 33 33 ASN CB C 33 37.017 37.017 37.405 -0.388 17551 181 1 . 1 1 33 33 ASN H H 33 8.990 8.990 8.385 0.605 17551 182 1 . 1 1 34 34 CYS N N 34 116.649 116.649 117.223 -0.574 17551 183 1 . 1 1 34 34 CYS HA H 34 4.018 4.018 4.449 -0.431 17551 184 1 . 1 1 34 34 CYS C C 34 175.384 175.384 174.780 0.604 17551 185 1 . 1 1 34 34 CYS CA C 34 57.216 57.216 57.910 -0.694 17551 186 1 . 1 1 34 34 CYS CB C 34 27.200 27.200 29.947 -2.747 17551 187 1 . 1 1 34 34 CYS H H 34 7.443 7.443 7.565 -0.122 17551 188 1 . 1 1 35 35 LYS N N 35 130.727 130.727 122.903 7.824 17551 189 1 . 1 1 35 35 LYS HA H 35 4.296 4.296 4.428 -0.132 17551 190 1 . 1 1 35 35 LYS C C 35 175.272 175.272 175.206 0.066 17551 191 1 . 1 1 35 35 LYS CA C 35 55.577 55.577 55.799 -0.222 17551 192 1 . 1 1 35 35 LYS CB C 35 29.487 29.487 31.222 -1.735 17551 193 1 . 1 1 35 35 LYS H H 35 8.691 8.691 8.414 0.277 17551 194 1 . 1 1 36 36 ILE N N 36 125.658 125.658 125.471 0.187 17551 195 1 . 1 1 36 36 ILE HA H 36 4.010 4.010 4.657 -0.647 17551 196 1 . 1 1 36 36 ILE C C 36 177.115 177.115 175.981 1.134 17551 197 1 . 1 1 36 36 ILE CA C 36 62.608 62.608 59.340 3.268 17551 198 1 . 1 1 36 36 ILE CB C 36 39.739 39.739 38.217 1.522 17551 199 1 . 1 1 36 36 ILE H H 36 7.658 7.658 8.075 -0.417 17551 200 1 . 1 1 37 37 VAL N N 37 130.730 130.730 129.186 1.544 17551 201 1 . 1 1 37 37 VAL HA H 37 5.105 5.105 5.022 0.083 17551 202 1 . 1 1 37 37 VAL C C 37 175.295 175.295 176.114 -0.819 17551 203 1 . 1 1 37 37 VAL CA C 37 60.845 60.845 61.238 -0.393 17551 204 1 . 1 1 37 37 VAL CB C 37 33.716 33.716 32.870 0.846 17551 205 1 . 1 1 37 37 VAL H H 37 7.909 7.909 8.471 -0.562 17551 206 1 . 1 1 38 38 THR N N 38 127.066 127.066 124.893 2.173 17551 207 1 . 1 1 38 38 THR HA H 38 5.405 5.405 5.358 0.047 17551 208 1 . 1 1 38 38 THR C C 38 174.035 174.035 174.007 0.028 17551 209 1 . 1 1 38 38 THR CA C 38 61.303 61.303 61.183 0.120 17551 210 1 . 1 1 38 38 THR CB C 38 70.474 70.474 69.518 0.956 17551 211 1 . 1 1 38 38 THR H H 38 9.393 9.393 9.283 0.110 17551 212 1 . 1 1 39 39 GLU N N 39 126.804 126.804 129.088 -2.284 17551 213 1 . 1 1 39 39 GLU HA H 39 5.216 5.216 4.678 0.538 17551 214 1 . 1 1 39 39 GLU C C 39 174.379 174.379 174.962 -0.583 17551 215 1 . 1 1 39 39 GLU CA C 39 54.232 54.232 55.837 -1.605 17551 216 1 . 1 1 39 39 GLU CB C 39 32.531 32.531 31.000 1.531 17551 217 1 . 1 1 39 39 GLU H H 39 9.728 9.728 8.768 0.960 17551 218 1 . 1 1 40 40 VAL N N 40 125.405 125.405 126.613 -1.208 17551 219 1 . 1 1 40 40 VAL HA H 40 4.859 4.859 5.290 -0.431 17551 220 1 . 1 1 40 40 VAL C C 40 176.139 176.139 175.260 0.879 17551 221 1 . 1 1 40 40 VAL CA C 40 60.091 60.091 60.467 -0.376 17551 222 1 . 1 1 40 40 VAL CB C 40 33.952 33.952 33.578 0.374 17551 223 1 . 1 1 40 40 VAL H H 40 9.326 9.326 8.948 0.378 17551 224 1 . 1 1 41 41 VAL N N 41 127.197 127.197 127.753 -0.556 17551 225 1 . 1 1 41 41 VAL HA H 41 4.144 4.144 4.415 -0.271 17551 226 1 . 1 1 41 41 VAL C C 41 173.604 173.604 174.173 -0.569 17551 227 1 . 1 1 41 41 VAL CA C 41 62.522 62.522 60.484 2.038 17551 228 1 . 1 1 41 41 VAL CB C 41 33.757 33.757 34.145 -0.388 17551 229 1 . 1 1 41 41 VAL H H 41 8.811 8.811 8.320 0.491 17551 230 1 . 1 1 42 42 GLN N N 42 130.317 130.317 127.219 3.098 17551 231 1 . 1 1 42 42 GLN HA H 42 4.430 4.430 4.097 0.333 17551 232 1 . 1 1 42 42 GLN C C 42 174.239 174.239 174.816 -0.577 17551 233 1 . 1 1 42 42 GLN CA C 42 52.960 52.960 55.651 -2.691 17551 234 1 . 1 1 42 42 GLN CB C 42 29.877 29.877 29.335 0.542 17551 235 1 . 1 1 42 42 GLN H H 42 8.345 8.345 8.704 -0.359 17551 236 1 . 1 1 43 43 ASN N N 43 125.513 125.513 126.439 -0.926 17551 237 1 . 1 1 43 43 ASN HA H 43 4.826 4.826 4.838 -0.012 17551 238 1 . 1 1 43 43 ASN C C 43 175.350 175.350 175.143 0.207 17551 239 1 . 1 1 43 43 ASN CA C 43 51.303 51.303 52.154 -0.851 17551 240 1 . 1 1 43 43 ASN CB C 43 39.051 39.051 38.832 0.219 17551 241 1 . 1 1 43 43 ASN H H 43 8.772 8.772 8.089 0.683 17551 242 1 . 1 1 44 44 GLY N N 44 115.694 115.694 112.336 3.358 17551 243 1 . 1 1 44 44 GLY C C 44 173.199 173.199 174.668 -1.469 17551 244 1 . 1 1 44 44 GLY CA C 44 46.964 46.964 46.638 0.326 17551 245 1 . 1 1 44 44 GLY H H 44 9.187 9.187 8.519 0.668 17551 246 1 . 1 1 45 45 ASN N N 45 125.520 125.520 123.506 2.014 17551 247 1 . 1 1 45 45 ASN HA H 45 4.991 4.991 4.861 0.130 17551 248 1 . 1 1 45 45 ASN C C 45 173.822 173.822 173.025 0.797 17551 249 1 . 1 1 45 45 ASN CA C 45 52.215 52.215 52.454 -0.239 17551 250 1 . 1 1 45 45 ASN CB C 45 38.700 38.700 40.327 -1.627 17551 251 1 . 1 1 45 45 ASN H H 45 8.854 8.854 8.282 0.572 17551 252 1 . 1 1 46 46 ASP N N 46 120.842 120.842 120.947 -0.105 17551 253 1 . 1 1 46 46 ASP HA H 46 5.185 5.185 5.167 0.018 17551 254 1 . 1 1 46 46 ASP C C 46 174.705 174.705 174.375 0.329 17551 255 1 . 1 1 46 46 ASP CA C 46 53.658 53.658 52.953 0.705 17551 256 1 . 1 1 46 46 ASP CB C 46 41.025 41.025 41.579 -0.554 17551 257 1 . 1 1 46 46 ASP H H 46 7.921 7.921 7.602 0.319 17551 258 1 . 1 1 47 47 PHE N N 47 121.470 121.470 125.438 -3.968 17551 259 1 . 1 1 47 47 PHE HA H 47 5.161 5.161 5.225 -0.064 17551 260 1 . 1 1 47 47 PHE C C 47 177.125 177.125 175.645 1.480 17551 261 1 . 1 1 47 47 PHE CA C 47 56.591 56.591 55.825 0.766 17551 262 1 . 1 1 47 47 PHE CB C 47 44.035 44.035 41.684 2.351 17551 263 1 . 1 1 47 47 PHE H H 47 9.263 9.263 8.521 0.742 17551 264 1 . 1 1 48 48 THR N N 48 116.950 116.950 115.425 1.525 17551 265 1 . 1 1 48 48 THR HA H 48 4.861 4.861 4.751 0.110 17551 266 1 . 1 1 48 48 THR C C 48 172.499 172.499 173.905 -1.406 17551 267 1 . 1 1 48 48 THR CA C 48 62.943 62.943 61.302 1.641 17551 268 1 . 1 1 48 48 THR CB C 48 70.360 70.360 69.884 0.476 17551 269 1 . 1 1 48 48 THR H H 48 8.831 8.831 8.418 0.413 17551 270 1 . 1 1 49 49 TRP N N 49 132.266 132.266 127.885 4.381 17551 271 1 . 1 1 49 49 TRP HA H 49 4.955 4.955 5.015 -0.060 17551 272 1 . 1 1 49 49 TRP C C 49 175.842 175.842 174.913 0.929 17551 273 1 . 1 1 49 49 TRP CA C 49 57.286 57.286 56.311 0.975 17551 274 1 . 1 1 49 49 TRP CB C 49 31.894 31.894 32.031 -0.137 17551 275 1 . 1 1 49 49 TRP H H 49 9.914 9.914 9.457 0.457 17551 276 1 . 1 1 50 50 THR N N 50 131.707 131.707 123.524 8.183 17551 277 1 . 1 1 50 50 THR HA H 50 5.928 5.928 4.809 1.119 17551 278 1 . 1 1 50 50 THR C C 50 173.408 173.408 173.368 0.040 17551 279 1 . 1 1 50 50 THR CA C 50 60.993 60.993 61.655 -0.662 17551 280 1 . 1 1 50 50 THR CB C 50 70.957 70.957 69.853 1.104 17551 281 1 . 1 1 50 50 THR H H 50 9.524 9.524 8.401 1.123 17551 282 1 . 1 1 51 51 GLN N N 51 124.680 124.680 126.733 -2.053 17551 283 1 . 1 1 51 51 GLN HA H 51 5.056 5.056 5.169 -0.113 17551 284 1 . 1 1 51 51 GLN C C 51 175.328 175.328 174.881 0.447 17551 285 1 . 1 1 51 51 GLN CA C 51 56.309 56.309 54.370 1.939 17551 286 1 . 1 1 51 51 GLN CB C 51 29.046 29.046 30.501 -1.455 17551 287 1 . 1 1 51 51 GLN H H 51 9.456 9.456 9.240 0.216 17551 288 1 . 1 1 52 52 HIS N N 52 122.268 122.268 124.659 -2.391 17551 289 1 . 1 1 52 52 HIS HA H 52 5.051 5.051 4.919 0.132 17551 290 1 . 1 1 52 52 HIS C C 52 174.819 174.819 174.087 0.732 17551 291 1 . 1 1 52 52 HIS CA C 52 54.039 54.039 55.028 -0.989 17551 292 1 . 1 1 52 52 HIS CB C 52 29.432 29.432 31.936 -2.504 17551 293 1 . 1 1 52 52 HIS H H 52 9.534 9.534 9.066 0.468 17551 294 1 . 1 1 53 53 PHE N N 53 129.837 129.837 125.130 4.707 17551 295 1 . 1 1 53 53 PHE HA H 53 4.584 4.584 4.952 -0.368 17551 296 1 . 1 1 53 53 PHE CA C 53 56.312 56.312 53.801 2.511 17551 297 1 . 1 1 53 53 PHE CB C 53 40.660 40.660 41.743 -1.083 17551 298 1 . 1 1 53 53 PHE H H 53 8.641 8.641 8.726 -0.085 17551 299 1 . 1 1 54 54 PRO HA H 54 4.291 4.291 4.357 -0.066 17551 300 1 . 1 1 54 54 PRO C C 54 177.389 177.389 176.662 0.727 17551 301 1 . 1 1 54 54 PRO CA C 54 63.569 63.569 63.514 0.055 17551 302 1 . 1 1 54 54 PRO CB C 54 30.471 30.471 30.909 -0.438 17551 303 1 . 1 1 55 55 GLY N N 55 113.867 113.867 113.145 0.722 17551 304 1 . 1 1 55 55 GLY C C 55 175.164 175.164 174.131 1.033 17551 305 1 . 1 1 55 55 GLY CA C 55 45.258 45.258 45.120 0.138 17551 306 1 . 1 1 55 55 GLY H H 55 8.926 8.926 8.568 0.358 17551 307 1 . 1 1 56 56 GLY N N 56 108.877 108.877 108.308 0.569 17551 308 1 . 1 1 56 56 GLY C C 56 174.054 174.054 172.782 1.272 17551 309 1 . 1 1 56 56 GLY CA C 56 44.534 44.534 44.725 -0.191 17551 310 1 . 1 1 56 56 GLY H H 56 8.426 8.426 7.779 0.647 17551 311 1 . 1 1 57 57 ARG N N 57 123.871 123.871 118.863 5.008 17551 312 1 . 1 1 57 57 ARG HA H 57 4.483 4.483 4.499 -0.016 17551 313 1 . 1 1 57 57 ARG C C 57 176.728 176.728 175.820 0.908 17551 314 1 . 1 1 57 57 ARG CA C 57 56.217 56.217 56.238 -0.021 17551 315 1 . 1 1 57 57 ARG CB C 57 31.388 31.388 30.696 0.692 17551 316 1 . 1 1 57 57 ARG H H 57 8.474 8.474 8.446 0.028 17551 317 1 . 1 1 58 58 THR N N 58 122.156 122.156 116.480 5.676 17551 318 1 . 1 1 58 58 THR HA H 58 5.299 5.299 4.770 0.529 17551 319 1 . 1 1 58 58 THR C C 58 174.092 174.092 174.567 -0.475 17551 320 1 . 1 1 58 58 THR CA C 58 62.125 62.125 60.976 1.149 17551 321 1 . 1 1 58 58 THR CB C 58 70.339 70.339 70.661 -0.322 17551 322 1 . 1 1 58 58 THR H H 58 8.818 8.818 8.331 0.487 17551 323 1 . 1 1 59 59 THR N N 59 127.287 127.287 122.378 4.909 17551 324 1 . 1 1 59 59 THR HA H 59 4.505 4.505 4.657 -0.152 17551 325 1 . 1 1 59 59 THR C C 59 172.626 172.626 172.828 -0.202 17551 326 1 . 1 1 59 59 THR CA C 59 62.163 62.163 61.812 0.350 17551 327 1 . 1 1 59 59 THR CB C 59 70.565 70.565 71.419 -0.853 17551 328 1 . 1 1 59 59 THR H H 59 9.281 9.281 8.908 0.373 17551 329 1 . 1 1 60 60 THR N N 60 123.658 123.658 122.296 1.362 17551 330 1 . 1 1 60 60 THR HA H 60 5.105 5.105 5.134 -0.029 17551 331 1 . 1 1 60 60 THR C C 60 172.453 172.453 173.559 -1.106 17551 332 1 . 1 1 60 60 THR CA C 60 61.277 61.277 61.324 -0.047 17551 333 1 . 1 1 60 60 THR CB C 60 70.432 70.432 70.706 -0.274 17551 334 1 . 1 1 60 60 THR H H 60 8.952 8.952 8.561 0.391 17551 335 1 . 1 1 61 61 ASN N N 61 124.292 124.292 125.532 -1.240 17551 336 1 . 1 1 61 61 ASN HA H 61 5.384 5.384 5.112 0.272 17551 337 1 . 1 1 61 61 ASN C C 61 173.609 173.609 173.903 -0.294 17551 338 1 . 1 1 61 61 ASN CA C 61 52.190 52.190 52.563 -0.373 17551 339 1 . 1 1 61 61 ASN CB C 61 43.987 43.987 42.329 1.658 17551 340 1 . 1 1 61 61 ASN H H 61 8.848 8.848 9.191 -0.343 17551 341 1 . 1 1 62 62 SER N N 62 118.046 118.046 117.447 0.599 17551 342 1 . 1 1 62 62 SER HA H 62 5.659 5.659 5.162 0.496 17551 343 1 . 1 1 62 62 SER C C 62 172.545 172.545 173.278 -0.733 17551 344 1 . 1 1 62 62 SER CA C 62 56.974 56.974 57.524 -0.550 17551 345 1 . 1 1 62 62 SER CB C 62 64.719 64.719 64.586 0.133 17551 346 1 . 1 1 62 62 SER H H 62 8.986 8.986 8.733 0.253 17551 347 1 . 1 1 63 63 PHE N N 63 118.769 118.769 120.642 -1.872 17551 348 1 . 1 1 63 63 PHE HA H 63 5.016 5.016 5.017 -0.002 17551 349 1 . 1 1 63 63 PHE C C 63 172.500 172.500 173.625 -1.125 17551 350 1 . 1 1 63 63 PHE CA C 63 55.793 55.793 56.429 -0.636 17551 351 1 . 1 1 63 63 PHE CB C 63 39.459 39.459 41.472 -2.013 17551 352 1 . 1 1 63 63 PHE H H 63 8.514 8.514 8.405 0.109 17551 353 1 . 1 1 64 64 THR N N 64 120.318 120.318 118.902 1.416 17551 354 1 . 1 1 64 64 THR HA H 64 5.617 5.617 4.923 0.694 17551 355 1 . 1 1 64 64 THR C C 64 175.240 175.240 174.590 0.650 17551 356 1 . 1 1 64 64 THR CA C 64 60.409 60.409 61.399 -0.990 17551 357 1 . 1 1 64 64 THR CB C 64 71.213 71.213 70.331 0.881 17551 358 1 . 1 1 64 64 THR H H 64 9.743 9.743 8.649 1.094 17551 359 1 . 1 1 65 65 ILE N N 65 127.640 127.640 127.437 0.203 17551 360 1 . 1 1 65 65 ILE HA H 65 4.089 4.089 3.885 0.204 17551 361 1 . 1 1 65 65 ILE C C 65 176.477 176.477 177.462 -0.984 17551 362 1 . 1 1 65 65 ILE CA C 65 59.299 59.299 61.751 -2.452 17551 363 1 . 1 1 65 65 ILE CB C 65 35.445 35.445 36.317 -0.872 17551 364 1 . 1 1 65 65 ILE H H 65 8.961 8.961 8.952 0.009 17551 365 1 . 1 1 66 66 ASP N N 66 117.361 117.361 124.613 -7.252 17551 366 1 . 1 1 66 66 ASP HA H 66 4.080 4.080 4.221 -0.141 17551 367 1 . 1 1 66 66 ASP C C 66 174.730 174.730 174.385 0.345 17551 368 1 . 1 1 66 66 ASP CA C 66 57.150 57.150 55.863 1.287 17551 369 1 . 1 1 66 66 ASP CB C 66 38.442 38.442 40.599 -2.157 17551 370 1 . 1 1 66 66 ASP H H 66 9.264 9.264 9.301 -0.037 17551 371 1 . 1 1 67 67 LYS N N 67 121.171 121.171 118.958 2.213 17551 372 1 . 1 1 67 67 LYS HA H 67 4.805 4.805 4.610 0.195 17551 373 1 . 1 1 67 67 LYS C C 67 175.115 175.115 174.690 0.425 17551 374 1 . 1 1 67 67 LYS CA C 67 53.900 53.900 54.560 -0.660 17551 375 1 . 1 1 67 67 LYS CB C 67 34.256 34.256 35.560 -1.304 17551 376 1 . 1 1 67 67 LYS H H 67 8.185 8.185 7.777 0.408 17551 377 1 . 1 1 68 68 GLU N N 68 130.373 130.373 125.122 5.251 17551 378 1 . 1 1 68 68 GLU HA H 68 4.194 4.194 4.477 -0.283 17551 379 1 . 1 1 68 68 GLU C C 68 175.449 175.449 175.575 -0.126 17551 380 1 . 1 1 68 68 GLU CA C 68 58.343 58.343 56.632 1.711 17551 381 1 . 1 1 68 68 GLU H H 68 8.879 8.879 8.699 0.180 17551 382 1 . 1 1 69 69 ALA N N 69 130.113 130.113 127.859 2.254 17551 383 1 . 1 1 69 69 ALA HA H 69 4.924 4.924 4.660 0.264 17551 384 1 . 1 1 69 69 ALA C C 69 175.797 175.797 175.456 0.341 17551 385 1 . 1 1 69 69 ALA CA C 69 50.151 50.151 50.582 -0.431 17551 386 1 . 1 1 69 69 ALA CB C 69 22.239 22.239 22.819 -0.580 17551 387 1 . 1 1 69 69 ALA H H 69 8.864 8.864 8.938 -0.074 17551 388 1 . 1 1 70 70 ASP N N 70 120.889 120.889 122.505 -1.616 17551 389 1 . 1 1 70 70 ASP HA H 70 4.852 4.852 4.907 -0.055 17551 390 1 . 1 1 70 70 ASP C C 70 175.541 175.541 175.277 0.264 17551 391 1 . 1 1 70 70 ASP CA C 70 54.211 54.211 54.497 -0.286 17551 392 1 . 1 1 70 70 ASP CB C 70 41.052 41.052 41.437 -0.386 17551 393 1 . 1 1 70 70 ASP H H 70 8.319 8.319 8.658 -0.339 17551 394 1 . 1 1 71 71 MET N N 71 125.005 125.005 122.319 2.686 17551 395 1 . 1 1 71 71 MET HA H 71 4.743 4.743 4.834 -0.091 17551 396 1 . 1 1 71 71 MET C C 71 174.047 174.047 173.751 0.296 17551 397 1 . 1 1 71 71 MET CA C 71 54.265 54.265 54.014 0.251 17551 398 1 . 1 1 71 71 MET CB C 71 39.844 39.844 37.192 2.653 17551 399 1 . 1 1 71 71 MET H H 71 8.796 8.796 8.595 0.201 17551 400 1 . 1 1 72 72 GLU N N 72 118.909 118.909 120.010 -1.101 17551 401 1 . 1 1 72 72 GLU HA H 72 5.613 5.613 5.505 0.108 17551 402 1 . 1 1 72 72 GLU C C 72 176.109 176.109 175.330 0.779 17551 403 1 . 1 1 72 72 GLU CA C 72 53.790 53.790 54.604 -0.814 17551 404 1 . 1 1 72 72 GLU CB C 72 33.986 33.986 33.594 0.392 17551 405 1 . 1 1 72 72 GLU H H 72 9.225 9.225 8.620 0.605 17551 406 1 . 1 1 73 73 THR N N 73 109.667 109.667 116.405 -6.738 17551 407 1 . 1 1 73 73 THR HA H 73 4.538 4.538 4.697 -0.159 17551 408 1 . 1 1 73 73 THR C C 73 176.660 176.660 175.818 0.842 17551 409 1 . 1 1 73 73 THR CA C 73 59.666 59.666 60.330 -0.664 17551 410 1 . 1 1 73 73 THR CB C 73 69.710 69.710 70.472 -0.762 17551 411 1 . 1 1 73 73 THR H H 73 8.904 8.904 8.637 0.267 17551 412 1 . 1 1 74 74 MET N N 74 117.519 117.519 118.569 -1.050 17551 413 1 . 1 1 74 74 MET HA H 74 4.776 4.776 4.387 0.389 17551 414 1 . 1 1 74 74 MET C C 74 176.641 176.641 176.817 -0.176 17551 415 1 . 1 1 74 74 MET CA C 74 58.631 58.631 57.354 1.277 17551 416 1 . 1 1 74 74 MET H H 74 8.206 8.206 8.515 -0.309 17551 417 1 . 1 1 75 75 GLY N N 75 103.810 103.810 104.177 -0.367 17551 418 1 . 1 1 75 75 GLY C C 75 173.956 173.956 175.020 -1.064 17551 419 1 . 1 1 75 75 GLY CA C 75 43.728 43.728 44.639 -0.911 17551 420 1 . 1 1 75 75 GLY H H 75 8.067 8.067 7.587 0.480 17551 421 1 . 1 1 76 76 GLY N N 76 108.498 108.498 108.927 -0.428 17551 422 1 . 1 1 76 76 GLY C C 76 173.267 173.267 174.162 -0.895 17551 423 1 . 1 1 76 76 GLY CA C 76 44.563 44.563 44.695 -0.132 17551 424 1 . 1 1 76 76 GLY H H 76 7.702 7.702 7.601 0.101 17551 425 1 . 1 1 77 77 ARG N N 77 121.161 121.161 120.626 0.535 17551 426 1 . 1 1 77 77 ARG HA H 77 4.348 4.348 4.518 -0.170 17551 427 1 . 1 1 77 77 ARG C C 77 176.083 176.083 175.404 0.679 17551 428 1 . 1 1 77 77 ARG CA C 77 55.350 55.350 54.990 0.360 17551 429 1 . 1 1 77 77 ARG CB C 77 30.904 30.904 31.630 -0.726 17551 430 1 . 1 1 77 77 ARG H H 77 7.328 7.328 7.728 -0.400 17551 431 1 . 1 1 78 78 LYS N N 78 126.790 126.790 125.340 1.450 17551 432 1 . 1 1 78 78 LYS HA H 78 5.147 5.147 4.928 0.219 17551 433 1 . 1 1 78 78 LYS C C 78 176.961 176.961 176.130 0.831 17551 434 1 . 1 1 78 78 LYS CA C 78 55.487 55.487 55.689 -0.202 17551 435 1 . 1 1 78 78 LYS CB C 78 32.769 32.769 33.032 -0.262 17551 436 1 . 1 1 78 78 LYS H H 78 8.771 8.771 8.691 0.080 17551 437 1 . 1 1 79 79 PHE N N 79 119.480 119.480 121.825 -2.345 17551 438 1 . 1 1 79 79 PHE HA H 79 4.898 4.898 4.983 -0.085 17551 439 1 . 1 1 79 79 PHE C C 79 171.587 171.587 173.228 -1.641 17551 440 1 . 1 1 79 79 PHE CA C 79 55.817 55.817 56.474 -0.657 17551 441 1 . 1 1 79 79 PHE CB C 79 40.702 40.702 41.433 -0.731 17551 442 1 . 1 1 79 79 PHE H H 79 8.794 8.794 8.524 0.270 17551 443 1 . 1 1 80 80 LYS N N 80 119.760 119.760 119.535 0.225 17551 444 1 . 1 1 80 80 LYS HA H 80 5.460 5.460 5.358 0.102 17551 445 1 . 1 1 80 80 LYS C C 80 176.538 176.538 175.432 1.106 17551 446 1 . 1 1 80 80 LYS CA C 80 53.988 53.988 55.093 -1.105 17551 447 1 . 1 1 80 80 LYS CB C 80 35.754 35.754 35.859 -0.105 17551 448 1 . 1 1 80 80 LYS H H 80 8.414 8.414 8.448 -0.034 17551 449 1 . 1 1 81 81 ALA N N 81 121.171 121.171 125.795 -4.624 17551 450 1 . 1 1 81 81 ALA HA H 81 4.738 4.738 4.607 0.131 17551 451 1 . 1 1 81 81 ALA C C 81 175.290 175.290 175.018 0.272 17551 452 1 . 1 1 81 81 ALA CA C 81 51.262 51.262 51.271 -0.009 17551 453 1 . 1 1 81 81 ALA CB C 81 22.568 22.568 22.029 0.539 17551 454 1 . 1 1 81 81 ALA H H 81 8.525 8.525 8.825 -0.300 17551 455 1 . 1 1 82 82 THR N N 82 117.970 117.970 116.607 1.363 17551 456 1 . 1 1 82 82 THR HA H 82 4.292 4.292 4.774 -0.482 17551 457 1 . 1 1 82 82 THR C C 82 172.556 172.556 173.831 -1.275 17551 458 1 . 1 1 82 82 THR CA C 82 61.640 61.640 61.673 -0.033 17551 459 1 . 1 1 82 82 THR CB C 82 68.485 68.485 69.487 -1.001 17551 460 1 . 1 1 82 82 THR H H 82 8.448 8.448 8.435 0.013 17551 461 1 . 1 1 83 83 VAL N N 83 131.564 131.564 125.316 6.248 17551 462 1 . 1 1 83 83 VAL HA H 83 3.784 3.784 4.610 -0.826 17551 463 1 . 1 1 83 83 VAL C C 83 174.167 174.167 174.607 -0.440 17551 464 1 . 1 1 83 83 VAL CA C 83 62.059 62.059 60.760 1.299 17551 465 1 . 1 1 83 83 VAL CB C 83 31.076 31.076 33.731 -2.655 17551 466 1 . 1 1 83 83 VAL H H 83 9.722 9.722 7.952 1.770 17551 467 1 . 1 1 84 84 LYS N N 84 125.930 125.930 123.589 2.341 17551 468 1 . 1 1 84 84 LYS HA H 84 4.851 4.851 4.805 0.046 17551 469 1 . 1 1 84 84 LYS C C 84 175.025 175.025 174.268 0.757 17551 470 1 . 1 1 84 84 LYS CA C 84 54.213 54.213 54.298 -0.085 17551 471 1 . 1 1 84 84 LYS CB C 84 35.076 35.076 35.846 -0.770 17551 472 1 . 1 1 84 84 LYS H H 84 8.541 8.541 9.110 -0.569 17551 473 1 . 1 1 85 85 MET N N 85 119.366 119.366 120.129 -0.763 17551 474 1 . 1 1 85 85 MET HA H 85 5.517 5.517 5.213 0.304 17551 475 1 . 1 1 85 85 MET C C 85 175.698 175.698 175.357 0.341 17551 476 1 . 1 1 85 85 MET CA C 85 54.256 54.256 54.694 -0.438 17551 477 1 . 1 1 85 85 MET CB C 85 35.406 35.406 36.275 -0.869 17551 478 1 . 1 1 85 85 MET H H 85 8.992 8.992 8.514 0.478 17551 479 1 . 1 1 86 86 GLU N N 86 125.741 125.741 123.707 2.034 17551 480 1 . 1 1 86 86 GLU HA H 86 4.654 4.654 4.572 0.082 17551 481 1 . 1 1 86 86 GLU C C 86 177.223 177.223 176.617 0.606 17551 482 1 . 1 1 86 86 GLU CA C 86 54.213 54.213 55.611 -1.398 17551 483 1 . 1 1 86 86 GLU CB C 86 31.578 31.578 29.777 1.801 17551 484 1 . 1 1 86 86 GLU H H 86 9.063 9.063 9.104 -0.041 17551 485 1 . 1 1 87 87 GLY N N 87 117.720 117.720 113.014 4.706 17551 486 1 . 1 1 87 87 GLY C C 87 175.275 175.275 175.201 0.074 17551 487 1 . 1 1 87 87 GLY CA C 87 46.902 46.902 44.864 2.038 17551 488 1 . 1 1 87 87 GLY H H 87 9.300 9.300 8.931 0.369 17551 489 1 . 1 1 88 88 GLY N N 88 109.070 109.070 105.245 3.825 17551 490 1 . 1 1 88 88 GLY C C 88 172.863 172.863 173.577 -0.714 17551 491 1 . 1 1 88 88 GLY CA C 88 44.853 44.853 45.096 -0.243 17551 492 1 . 1 1 88 88 GLY H H 88 8.739 8.739 8.470 0.269 17551 493 1 . 1 1 89 89 LYS N N 89 120.150 120.150 118.719 1.431 17551 494 1 . 1 1 89 89 LYS HA H 89 5.113 5.113 5.127 -0.014 17551 495 1 . 1 1 89 89 LYS C C 89 175.487 175.487 175.597 -0.110 17551 496 1 . 1 1 89 89 LYS CA C 89 54.363 54.363 54.512 -0.149 17551 497 1 . 1 1 89 89 LYS CB C 89 33.753 33.753 34.639 -0.886 17551 498 1 . 1 1 89 89 LYS H H 89 7.853 7.853 7.508 0.345 17551 499 1 . 1 1 90 90 ILE N N 90 124.537 124.537 126.274 -1.737 17551 500 1 . 1 1 90 90 ILE HA H 90 4.489 4.489 4.351 0.138 17551 501 1 . 1 1 90 90 ILE C C 90 175.679 175.679 174.914 0.765 17551 502 1 . 1 1 90 90 ILE CA C 90 60.930 60.930 61.392 -0.462 17551 503 1 . 1 1 90 90 ILE CB C 90 38.367 38.367 37.436 0.931 17551 504 1 . 1 1 90 90 ILE H H 90 9.081 9.081 8.630 0.451 17551 505 1 . 1 1 91 91 VAL N N 91 124.871 124.871 128.751 -3.880 17551 506 1 . 1 1 91 91 VAL HA H 91 4.591 4.591 5.107 -0.516 17551 507 1 . 1 1 91 91 VAL C C 91 173.890 173.890 173.314 0.576 17551 508 1 . 1 1 91 91 VAL CA C 91 60.743 60.743 58.903 1.840 17551 509 1 . 1 1 91 91 VAL CB C 91 35.279 35.279 35.694 -0.415 17551 510 1 . 1 1 91 91 VAL H H 91 8.786 8.786 8.748 0.038 17551 511 1 . 1 1 92 92 ALA N N 92 129.590 129.590 130.730 -1.140 17551 512 1 . 1 1 92 92 ALA HA H 92 4.563 4.563 4.660 -0.097 17551 513 1 . 1 1 92 92 ALA C C 92 173.855 173.855 175.120 -1.265 17551 514 1 . 1 1 92 92 ALA CA C 92 49.864 49.864 49.825 0.039 17551 515 1 . 1 1 92 92 ALA CB C 92 21.948 21.948 22.133 -0.185 17551 516 1 . 1 1 92 92 ALA H H 92 9.228 9.228 9.011 0.217 17551 517 1 . 1 1 93 93 ASP N N 93 121.654 121.654 122.364 -0.710 17551 518 1 . 1 1 93 93 ASP HA H 93 5.342 5.342 4.800 0.542 17551 519 1 . 1 1 93 93 ASP C C 93 173.521 173.521 174.610 -1.089 17551 520 1 . 1 1 93 93 ASP CA C 93 53.658 53.658 53.762 -0.104 17551 521 1 . 1 1 93 93 ASP CB C 93 44.462 44.462 42.347 2.115 17551 522 1 . 1 1 93 93 ASP H H 93 8.326 8.326 7.741 0.585 17551 523 1 . 1 1 94 94 PHE N N 94 122.296 122.296 123.247 -0.951 17551 524 1 . 1 1 94 94 PHE HA H 94 5.024 5.024 4.838 0.186 17551 525 1 . 1 1 94 94 PHE CA C 94 53.952 53.952 55.502 -1.550 17551 526 1 . 1 1 94 94 PHE CB C 94 38.958 38.958 42.499 -3.541 17551 527 1 . 1 1 94 94 PHE H H 94 8.776 8.776 7.924 0.852 17551 528 1 . 1 1 95 95 PRO HA H 95 4.396 4.396 4.506 -0.110 17551 529 1 . 1 1 95 95 PRO C C 95 177.375 177.375 176.831 0.544 17551 530 1 . 1 1 95 95 PRO CA C 95 64.386 64.386 63.813 0.573 17551 531 1 . 1 1 95 95 PRO CB C 95 30.432 30.432 31.299 -0.867 17551 532 1 . 1 1 96 96 ASN N N 96 120.924 120.924 119.227 1.697 17551 533 1 . 1 1 96 96 ASN HA H 96 4.619 4.619 4.364 0.255 17551 534 1 . 1 1 96 96 ASN C C 96 174.189 174.189 173.424 0.765 17551 535 1 . 1 1 96 96 ASN CA C 96 53.442 53.442 54.504 -1.062 17551 536 1 . 1 1 96 96 ASN CB C 96 38.069 38.069 37.763 0.306 17551 537 1 . 1 1 96 96 ASN H H 96 9.183 9.183 9.034 0.149 17551 538 1 . 1 1 97 97 TYR N N 97 120.943 120.943 119.218 1.725 17551 539 1 . 1 1 97 97 TYR HA H 97 4.804 4.804 5.703 -0.899 17551 540 1 . 1 1 97 97 TYR C C 97 172.713 172.713 173.674 -0.961 17551 541 1 . 1 1 97 97 TYR CA C 97 59.314 59.314 56.829 2.485 17551 542 1 . 1 1 97 97 TYR CB C 97 40.512 40.512 41.443 -0.931 17551 543 1 . 1 1 97 97 TYR H H 97 8.066 8.066 7.495 0.571 17551 544 1 . 1 1 98 98 HIS N N 98 128.370 128.370 128.052 0.318 17551 545 1 . 1 1 98 98 HIS HA H 98 5.466 5.466 5.191 0.275 17551 546 1 . 1 1 98 98 HIS C C 98 172.821 172.821 173.397 -0.576 17551 547 1 . 1 1 98 98 HIS CA C 98 54.311 54.311 54.827 -0.516 17551 548 1 . 1 1 98 98 HIS CB C 98 31.053 31.053 32.291 -1.238 17551 549 1 . 1 1 98 98 HIS H H 98 8.786 8.786 8.753 0.033 17551 550 1 . 1 1 99 99 HIS N N 99 130.146 130.146 129.481 0.665 17551 551 1 . 1 1 99 99 HIS HA H 99 5.689 5.689 5.718 -0.029 17551 552 1 . 1 1 99 99 HIS C C 99 173.405 173.405 174.090 -0.685 17551 553 1 . 1 1 99 99 HIS CA C 99 55.101 55.101 54.046 1.055 17551 554 1 . 1 1 99 99 HIS CB C 99 34.888 34.888 32.077 2.811 17551 555 1 . 1 1 99 99 HIS H H 99 8.963 8.963 8.324 0.639 17551 556 1 . 1 1 100 100 THR N N 100 117.843 117.843 119.716 -1.873 17551 557 1 . 1 1 100 100 THR HA H 100 5.597 5.597 5.436 0.161 17551 558 1 . 1 1 100 100 THR C C 100 172.563 172.563 172.673 -0.110 17551 559 1 . 1 1 100 100 THR CA C 100 57.863 57.863 59.771 -1.908 17551 560 1 . 1 1 100 100 THR CB C 100 71.830 71.830 71.513 0.317 17551 561 1 . 1 1 100 100 THR H H 100 8.871 8.871 8.667 0.204 17551 562 1 . 1 1 101 101 ALA N N 101 121.591 121.591 126.822 -5.231 17551 563 1 . 1 1 101 101 ALA HA H 101 5.318 5.318 5.207 0.111 17551 564 1 . 1 1 101 101 ALA C C 101 175.540 175.540 175.513 0.027 17551 565 1 . 1 1 101 101 ALA CA C 101 50.320 50.320 50.170 0.150 17551 566 1 . 1 1 101 101 ALA CB C 101 22.819 22.819 21.844 0.975 17551 567 1 . 1 1 101 101 ALA H H 101 8.825 8.825 8.959 -0.134 17551 568 1 . 1 1 102 102 GLU N N 102 118.491 118.491 120.578 -2.087 17551 569 1 . 1 1 102 102 GLU HA H 102 5.194 5.194 5.011 0.183 17551 570 1 . 1 1 102 102 GLU C C 102 172.497 172.497 174.186 -1.689 17551 571 1 . 1 1 102 102 GLU CA C 102 53.879 53.879 54.784 -0.905 17551 572 1 . 1 1 102 102 GLU H H 102 8.785 8.785 8.248 0.537 17551 573 1 . 1 1 103 103 ILE N N 103 121.813 121.813 120.730 1.083 17551 574 1 . 1 1 103 103 ILE HA H 103 5.129 5.129 5.109 0.020 17551 575 1 . 1 1 103 103 ILE C C 103 177.119 177.119 175.868 1.251 17551 576 1 . 1 1 103 103 ILE CA C 103 56.631 56.631 59.345 -2.714 17551 577 1 . 1 1 103 103 ILE CB C 103 34.564 34.564 37.838 -3.274 17551 578 1 . 1 1 103 103 ILE H H 103 8.442 8.442 8.553 -0.111 17551 579 1 . 1 1 104 104 SER N N 104 122.295 122.295 123.431 -1.136 17551 580 1 . 1 1 104 104 SER HA H 104 4.783 4.783 4.646 0.137 17551 581 1 . 1 1 104 104 SER CA C 104 55.521 55.521 57.448 -1.927 17551 582 1 . 1 1 104 104 SER CB C 104 63.426 63.426 63.914 -0.488 17551 583 1 . 1 1 104 104 SER H H 104 9.119 9.119 8.981 0.138 17551 584 1 . 1 1 105 105 GLY C C 105 175.730 175.730 174.868 0.862 17551 585 1 . 1 1 105 105 GLY CA C 105 46.925 46.925 44.945 1.980 17551 586 1 . 1 1 106 106 GLY N N 106 105.123 105.123 105.413 -0.290 17551 587 1 . 1 1 106 106 GLY C C 106 173.229 173.229 173.306 -0.077 17551 588 1 . 1 1 106 106 GLY CA C 106 44.771 44.771 45.133 -0.362 17551 589 1 . 1 1 106 106 GLY H H 106 8.476 8.476 8.359 0.117 17551 590 1 . 1 1 107 107 LYS N N 107 119.187 119.187 118.067 1.120 17551 591 1 . 1 1 107 107 LYS HA H 107 4.856 4.856 4.745 0.111 17551 592 1 . 1 1 107 107 LYS C C 107 174.072 174.072 174.316 -0.244 17551 593 1 . 1 1 107 107 LYS CA C 107 54.240 54.240 54.787 -0.547 17551 594 1 . 1 1 107 107 LYS CB C 107 34.508 34.508 36.042 -1.534 17551 595 1 . 1 1 107 107 LYS H H 107 7.639 7.639 7.310 0.329 17551 596 1 . 1 1 108 108 LEU N N 108 122.725 122.725 125.507 -2.782 17551 597 1 . 1 1 108 108 LEU HA H 108 4.793 4.793 5.071 -0.278 17551 598 1 . 1 1 108 108 LEU C C 108 174.906 174.906 174.673 0.233 17551 599 1 . 1 1 108 108 LEU CA C 108 54.275 54.275 53.800 0.475 17551 600 1 . 1 1 108 108 LEU CB C 108 42.801 42.801 42.765 0.036 17551 601 1 . 1 1 108 108 LEU H H 108 8.481 8.481 8.820 -0.339 17551 602 1 . 1 1 109 109 VAL N N 109 130.844 130.844 127.867 2.977 17551 603 1 . 1 1 109 109 VAL HA H 109 4.953 4.953 5.077 -0.124 17551 604 1 . 1 1 109 109 VAL C C 109 176.004 176.004 174.065 1.939 17551 605 1 . 1 1 109 109 VAL CA C 109 61.541 61.541 59.508 2.033 17551 606 1 . 1 1 109 109 VAL CB C 109 32.721 32.721 34.335 -1.614 17551 607 1 . 1 1 109 109 VAL H H 109 9.391 9.391 8.798 0.593 17551 608 1 . 1 1 110 110 GLU N N 110 130.618 130.618 129.554 1.064 17551 609 1 . 1 1 110 110 GLU HA H 110 5.393 5.393 5.168 0.225 17551 610 1 . 1 1 110 110 GLU C C 110 175.537 175.537 175.350 0.187 17551 611 1 . 1 1 110 110 GLU CA C 110 53.476 53.476 54.726 -1.250 17551 612 1 . 1 1 110 110 GLU H H 110 9.386 9.386 8.544 0.842 17551 613 1 . 1 1 111 111 ILE N N 111 126.952 126.952 126.441 0.511 17551 614 1 . 1 1 111 111 ILE HA H 111 4.910 4.910 4.737 0.173 17551 615 1 . 1 1 111 111 ILE C C 111 175.156 175.156 174.841 0.315 17551 616 1 . 1 1 111 111 ILE CA C 111 59.562 59.562 60.036 -0.475 17551 617 1 . 1 1 111 111 ILE CB C 111 39.029 39.029 40.220 -1.191 17551 618 1 . 1 1 111 111 ILE H H 111 8.912 8.912 8.860 0.052 17551 619 1 . 1 1 112 112 SER N N 112 125.389 125.389 124.552 0.837 17551 620 1 . 1 1 112 112 SER HA H 112 5.524 5.524 5.442 0.082 17551 621 1 . 1 1 112 112 SER C C 112 172.120 172.120 173.865 -1.745 17551 622 1 . 1 1 112 112 SER CA C 112 55.756 55.756 56.335 -0.579 17551 623 1 . 1 1 112 112 SER CB C 112 64.025 64.025 64.313 -0.288 17551 624 1 . 1 1 112 112 SER H H 112 9.495 9.495 9.109 0.386 17551 625 1 . 1 1 113 113 THR N N 113 119.329 119.329 123.259 -3.930 17551 626 1 . 1 1 113 113 THR HA H 113 5.633 5.633 5.266 0.367 17551 627 1 . 1 1 113 113 THR C C 113 174.911 174.911 174.044 0.867 17551 628 1 . 1 1 113 113 THR CA C 113 60.362 60.362 61.382 -1.020 17551 629 1 . 1 1 113 113 THR CB C 113 70.377 70.377 69.909 0.468 17551 630 1 . 1 1 113 113 THR H H 113 9.274 9.274 8.926 0.348 17551 631 1 . 1 1 114 114 SER N N 114 121.027 121.027 121.513 -0.486 17551 632 1 . 1 1 114 114 SER HA H 114 4.479 4.479 5.414 -0.935 17551 633 1 . 1 1 114 114 SER C C 114 174.507 174.507 174.405 0.102 17551 634 1 . 1 1 114 114 SER CA C 114 57.423 57.423 57.207 0.216 17551 635 1 . 1 1 114 114 SER CB C 114 64.798 64.798 64.832 -0.034 17551 636 1 . 1 1 114 114 SER H H 114 8.657 8.657 8.852 -0.195 17551 637 1 . 1 1 115 115 SER N N 115 122.405 122.405 121.878 0.527 17551 638 1 . 1 1 115 115 SER HA H 115 4.092 4.092 4.141 -0.049 17551 639 1 . 1 1 115 115 SER C C 115 174.387 174.387 174.336 0.051 17551 640 1 . 1 1 115 115 SER CA C 115 58.417 58.417 59.591 -1.174 17551 641 1 . 1 1 115 115 SER CB C 115 61.860 61.860 61.806 0.054 17551 642 1 . 1 1 115 115 SER H H 115 9.265 9.265 9.164 0.101 17551 643 1 . 1 1 116 116 GLY N N 116 103.741 103.741 104.247 -0.506 17551 644 1 . 1 1 116 116 GLY C C 116 173.618 173.618 174.182 -0.564 17551 645 1 . 1 1 116 116 GLY CA C 116 44.584 44.584 44.727 -0.143 17551 646 1 . 1 1 116 116 GLY H H 116 8.730 8.730 8.366 0.364 17551 647 1 . 1 1 117 117 VAL N N 117 123.819 123.819 124.534 -0.715 17551 648 1 . 1 1 117 117 VAL HA H 117 4.242 4.242 4.050 0.192 17551 649 1 . 1 1 117 117 VAL C C 117 173.712 173.712 175.192 -1.480 17551 650 1 . 1 1 117 117 VAL CA C 117 61.946 61.946 62.963 -1.017 17551 651 1 . 1 1 117 117 VAL CB C 117 32.244 32.244 32.290 -0.046 17551 652 1 . 1 1 117 117 VAL H H 117 8.177 8.177 7.721 0.456 17551 653 1 . 1 1 118 118 VAL N N 118 127.074 127.074 128.542 -1.468 17551 654 1 . 1 1 118 118 VAL HA H 118 4.519 4.519 4.216 0.303 17551 655 1 . 1 1 118 118 VAL C C 118 174.793 174.793 174.795 -0.002 17551 656 1 . 1 1 118 118 VAL CA C 118 61.227 61.227 61.414 -0.187 17551 657 1 . 1 1 118 118 VAL CB C 118 32.503 32.503 31.656 0.847 17551 658 1 . 1 1 118 118 VAL H H 118 8.441 8.441 8.484 -0.043 17551 659 1 . 1 1 119 119 TYR N N 119 131.178 131.178 131.015 0.163 17551 660 1 . 1 1 119 119 TYR HA H 119 5.095 5.095 4.817 0.278 17551 661 1 . 1 1 119 119 TYR C C 119 173.029 173.029 173.681 -0.652 17551 662 1 . 1 1 119 119 TYR CA C 119 54.862 54.862 56.154 -1.292 17551 663 1 . 1 1 119 119 TYR CB C 119 40.213 40.213 40.442 -0.229 17551 664 1 . 1 1 119 119 TYR H H 119 9.315 9.315 9.098 0.217 17551 665 1 . 1 1 120 120 LYS N N 120 126.654 126.654 127.521 -0.867 17551 666 1 . 1 1 120 120 LYS HA H 120 4.922 4.922 5.081 -0.159 17551 667 1 . 1 1 120 120 LYS C C 120 173.813 173.813 174.543 -0.730 17551 668 1 . 1 1 120 120 LYS CA C 120 53.685 53.685 54.257 -0.572 17551 669 1 . 1 1 120 120 LYS CB C 120 36.014 36.014 36.079 -0.065 17551 670 1 . 1 1 120 120 LYS H H 120 7.342 7.342 8.365 -1.023 17551 671 1 . 1 1 121 121 ARG N N 121 124.124 124.124 122.239 1.885 17551 672 1 . 1 1 121 121 ARG HA H 121 4.798 4.798 4.877 -0.079 17551 673 1 . 1 1 121 121 ARG C C 121 174.874 174.874 174.758 0.116 17551 674 1 . 1 1 121 121 ARG CB C 121 34.257 34.257 32.935 1.322 17551 675 1 . 1 1 121 121 ARG H H 121 9.087 9.087 8.613 0.474 17551 676 1 . 1 1 122 122 THR N N 122 122.859 122.859 122.158 0.701 17551 677 1 . 1 1 122 122 THR HA H 122 5.224 5.224 5.155 0.068 17551 678 1 . 1 1 122 122 THR C C 122 174.321 174.321 174.021 0.300 17551 679 1 . 1 1 122 122 THR CA C 122 62.177 62.177 61.808 0.369 17551 680 1 . 1 1 122 122 THR CB C 122 69.459 69.459 70.163 -0.704 17551 681 1 . 1 1 122 122 THR H H 122 9.358 9.358 8.872 0.486 17551 682 1 . 1 1 123 123 SER N N 123 123.389 123.389 122.671 0.718 17551 683 1 . 1 1 123 123 SER HA H 123 5.196 5.196 5.420 -0.224 17551 684 1 . 1 1 123 123 SER C C 123 172.464 172.464 173.530 -1.066 17551 685 1 . 1 1 123 123 SER CA C 123 57.571 57.571 57.184 0.387 17551 686 1 . 1 1 123 123 SER CB C 123 65.697 65.697 66.228 -0.531 17551 687 1 . 1 1 123 123 SER H H 123 9.749 9.749 9.329 0.420 17551 688 1 . 1 1 124 124 LYS N N 124 125.058 125.058 123.300 1.758 17551 689 1 . 1 1 124 124 LYS HA H 124 4.681 4.681 4.497 0.184 17551 690 1 . 1 1 124 124 LYS C C 124 175.141 175.141 175.637 -0.496 17551 691 1 . 1 1 124 124 LYS CA C 124 54.444 54.444 55.816 -1.372 17551 692 1 . 1 1 124 124 LYS CB C 124 33.492 33.492 33.782 -0.290 17551 693 1 . 1 1 124 124 LYS H H 124 8.808 8.808 8.431 0.377 17551 694 1 . 1 1 125 125 LYS N N 125 126.114 126.114 123.545 2.569 17551 695 1 . 1 1 125 125 LYS HA H 125 4.367 4.367 4.799 -0.432 17551 696 1 . 1 1 125 125 LYS C C 125 176.828 176.828 175.553 1.275 17551 697 1 . 1 1 125 125 LYS CA C 125 56.752 56.752 55.154 1.598 17551 698 1 . 1 1 125 125 LYS CB C 125 32.912 32.912 32.637 0.275 17551 699 1 . 1 1 125 125 LYS H H 125 9.215 9.215 8.540 0.675 17551 700 1 . 1 1 126 126 ILE N N 126 125.207 125.207 124.402 0.805 17551 701 1 . 1 1 126 126 ILE HA H 126 4.302 4.302 4.553 -0.251 17551 702 1 . 1 1 126 126 ILE C C 126 175.240 175.240 173.724 1.516 17551 703 1 . 1 1 126 126 ILE CA C 126 60.067 60.067 59.692 0.376 17551 704 1 . 1 1 126 126 ILE CB C 126 38.611 38.611 41.757 -3.146 17551 705 1 . 1 1 126 126 ILE H H 126 8.777 8.777 8.647 0.130 17551 stop_ save_