data_19614 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19614 _Entry.PDB_ID 2MH3 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 19614 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 27 27 LYS HA H 27 4.626 4.626 4.290 0.336 19614 2 1 1 . 1 1 27 27 LYS CA C 27 54.410 54.410 56.112 -1.702 19614 3 1 1 . 1 1 27 27 LYS CB C 27 32.346 32.346 32.214 0.132 19614 4 1 1 . 1 1 28 28 PRO HA H 28 4.402 4.402 4.478 -0.076 19614 5 1 1 . 1 1 28 28 PRO C C 28 176.815 176.815 176.039 0.776 19614 6 1 1 . 1 1 28 28 PRO CA C 28 62.876 62.876 62.637 0.239 19614 7 1 1 . 1 1 28 28 PRO CB C 28 32.162 32.162 31.847 0.315 19614 8 1 1 . 1 1 29 29 LYS N N 29 122.449 122.449 125.919 -3.470 19614 9 1 1 . 1 1 29 29 LYS HA H 29 4.297 4.297 4.387 -0.090 19614 10 1 1 . 1 1 29 29 LYS C C 29 176.961 176.961 176.178 0.783 19614 11 1 1 . 1 1 29 29 LYS CA C 29 56.463 56.463 56.480 -0.017 19614 12 1 1 . 1 1 29 29 LYS CB C 29 32.816 32.816 32.003 0.813 19614 13 1 1 . 1 1 29 29 LYS H H 29 8.586 8.586 8.559 0.027 19614 14 1 1 . 1 1 30 30 THR N N 30 115.695 115.695 119.710 -4.015 19614 15 1 1 . 1 1 30 30 THR HA H 30 4.293 4.293 4.408 -0.115 19614 16 1 1 . 1 1 30 30 THR C C 30 174.354 174.354 173.302 1.052 19614 17 1 1 . 1 1 30 30 THR CA C 30 61.555 61.555 62.558 -1.003 19614 18 1 1 . 1 1 30 30 THR CB C 30 69.949 69.949 69.645 0.304 19614 19 1 1 . 1 1 30 30 THR H H 30 8.219 8.219 8.572 -0.353 19614 20 1 1 . 1 1 31 31 ALA N N 31 125.923 125.923 124.868 1.055 19614 21 1 1 . 1 1 31 31 ALA HA H 31 4.312 4.312 4.772 -0.460 19614 22 1 1 . 1 1 31 31 ALA C C 31 178.014 178.014 176.360 1.654 19614 23 1 1 . 1 1 31 31 ALA CA C 31 52.781 52.781 51.824 0.957 19614 24 1 1 . 1 1 31 31 ALA CB C 31 19.125 19.125 19.433 -0.308 19614 25 1 1 . 1 1 31 31 ALA H H 31 8.505 8.505 8.101 0.404 19614 26 1 1 . 1 1 32 32 SER N N 32 115.249 115.249 117.877 -2.628 19614 27 1 1 . 1 1 32 32 SER HA H 32 4.338 4.338 4.442 -0.104 19614 28 1 1 . 1 1 32 32 SER C C 32 174.783 174.783 174.688 0.095 19614 29 1 1 . 1 1 32 32 SER CA C 32 58.633 58.633 58.375 0.258 19614 30 1 1 . 1 1 32 32 SER CB C 32 63.475 63.475 64.136 -0.661 19614 31 1 1 . 1 1 32 32 SER H H 32 8.365 8.365 8.452 -0.087 19614 32 1 1 . 1 1 33 33 GLU N N 33 122.748 122.748 123.016 -0.268 19614 33 1 1 . 1 1 33 33 GLU HA H 33 4.205 4.205 4.252 -0.047 19614 34 1 1 . 1 1 33 33 GLU C C 33 176.411 176.411 175.773 0.638 19614 35 1 1 . 1 1 33 33 GLU CA C 33 56.678 56.678 55.713 0.965 19614 36 1 1 . 1 1 33 33 GLU CB C 33 30.241 30.241 30.819 -0.578 19614 37 1 1 . 1 1 33 33 GLU H H 33 8.390 8.390 7.968 0.422 19614 38 1 1 . 1 1 34 34 HIS N N 34 120.453 120.453 120.848 -0.395 19614 39 1 1 . 1 1 34 34 HIS HA H 34 4.605 4.605 4.674 -0.069 19614 40 1 1 . 1 1 34 34 HIS C C 34 175.167 175.167 175.530 -0.363 19614 41 1 1 . 1 1 34 34 HIS CA C 34 56.035 56.035 55.438 0.597 19614 42 1 1 . 1 1 34 34 HIS CB C 34 29.938 29.938 30.133 -0.195 19614 43 1 1 . 1 1 34 34 HIS H H 34 8.431 8.431 8.456 -0.025 19614 44 1 1 . 1 1 35 35 ARG N N 35 122.797 122.797 126.132 -3.335 19614 45 1 1 . 1 1 35 35 ARG HA H 35 4.261 4.261 4.418 -0.157 19614 46 1 1 . 1 1 35 35 ARG C C 35 176.411 176.411 175.837 0.574 19614 47 1 1 . 1 1 35 35 ARG CA C 35 56.306 56.306 56.219 0.087 19614 48 1 1 . 1 1 35 35 ARG CB C 35 30.587 30.587 29.514 1.073 19614 49 1 1 . 1 1 35 35 ARG H H 35 8.419 8.419 8.845 -0.426 19614 50 1 1 . 1 1 36 36 LYS N N 36 122.974 122.974 125.060 -2.086 19614 51 1 1 . 1 1 36 36 LYS HA H 36 4.288 4.288 4.463 -0.175 19614 52 1 1 . 1 1 36 36 LYS C C 36 176.738 176.738 174.939 1.799 19614 53 1 1 . 1 1 36 36 LYS CA C 36 56.514 56.514 56.040 0.474 19614 54 1 1 . 1 1 36 36 LYS CB C 36 32.857 32.857 34.233 -1.376 19614 55 1 1 . 1 1 36 36 LYS H H 36 8.482 8.482 8.218 0.264 19614 56 1 1 . 1 1 37 37 SER N N 37 117.137 117.137 120.811 -3.674 19614 57 1 1 . 1 1 37 37 SER HA H 37 4.469 4.469 4.878 -0.409 19614 58 1 1 . 1 1 37 37 SER C C 37 174.495 174.495 173.715 0.780 19614 59 1 1 . 1 1 37 37 SER CA C 37 58.115 58.115 57.799 0.316 19614 60 1 1 . 1 1 37 37 SER CB C 37 63.627 63.627 64.994 -1.367 19614 61 1 1 . 1 1 37 37 SER H H 37 8.410 8.410 8.520 -0.110 19614 62 1 1 . 1 1 38 38 SER N N 38 118.622 118.622 117.665 0.957 19614 63 1 1 . 1 1 38 38 SER HA H 38 4.467 4.467 4.518 -0.051 19614 64 1 1 . 1 1 38 38 SER C C 38 174.332 174.332 172.515 1.817 19614 65 1 1 . 1 1 38 38 SER CA C 38 58.187 58.187 58.322 -0.135 19614 66 1 1 . 1 1 38 38 SER CB C 38 63.703 63.703 64.472 -0.769 19614 67 1 1 . 1 1 38 38 SER H H 38 8.456 8.456 8.140 0.316 19614 68 1 1 . 1 1 39 39 LYS N N 39 124.176 124.176 121.749 2.427 19614 69 1 1 . 1 1 39 39 LYS HA H 39 4.478 4.478 4.692 -0.214 19614 70 1 1 . 1 1 39 39 LYS C C 39 174.904 174.904 175.936 -1.032 19614 71 1 1 . 1 1 39 39 LYS CA C 39 56.707 56.707 53.630 3.077 19614 72 1 1 . 1 1 39 39 LYS CB C 39 31.595 31.595 32.867 -1.272 19614 73 1 1 . 1 1 39 39 LYS H H 39 8.489 8.489 8.447 0.042 19614 74 1 1 . 1 1 40 40 PRO HA H 40 4.401 4.401 4.347 0.054 19614 75 1 1 . 1 1 40 40 PRO C C 40 178.173 178.173 178.680 -0.507 19614 76 1 1 . 1 1 40 40 PRO CA C 40 64.315 64.315 65.670 -1.355 19614 77 1 1 . 1 1 40 40 PRO CB C 40 31.675 31.675 31.909 -0.234 19614 78 1 1 . 1 1 41 41 ILE N N 41 120.414 120.414 117.505 2.909 19614 79 1 1 . 1 1 41 41 ILE HA H 41 3.967 3.967 3.894 0.073 19614 80 1 1 . 1 1 41 41 ILE C C 41 177.393 177.393 177.525 -0.132 19614 81 1 1 . 1 1 41 41 ILE CA C 41 62.575 62.575 64.590 -2.015 19614 82 1 1 . 1 1 41 41 ILE CB C 41 37.900 37.900 37.818 0.082 19614 83 1 1 . 1 1 41 41 ILE H H 41 8.011 8.011 7.848 0.163 19614 84 1 1 . 1 1 42 42 MET N N 42 122.411 122.411 118.098 4.313 19614 85 1 1 . 1 1 42 42 MET HA H 42 4.330 4.330 4.211 0.119 19614 86 1 1 . 1 1 42 42 MET C C 42 178.050 178.050 178.632 -0.582 19614 87 1 1 . 1 1 42 42 MET CA C 42 56.959 56.959 57.797 -0.838 19614 88 1 1 . 1 1 42 42 MET CB C 42 32.024 32.024 31.082 0.942 19614 89 1 1 . 1 1 42 42 MET H H 42 8.335 8.335 8.021 0.314 19614 90 1 1 . 1 1 43 43 GLU N N 43 121.832 121.832 118.879 2.953 19614 91 1 1 . 1 1 43 43 GLU HA H 43 4.193 4.193 4.026 0.167 19614 92 1 1 . 1 1 43 43 GLU C C 43 177.835 177.835 178.984 -1.149 19614 93 1 1 . 1 1 43 43 GLU CA C 43 58.157 58.157 59.302 -1.145 19614 94 1 1 . 1 1 43 43 GLU CB C 43 29.543 29.543 28.921 0.622 19614 95 1 1 . 1 1 43 43 GLU H H 43 8.397 8.397 8.888 -0.491 19614 96 1 1 . 1 1 44 44 LYS N N 44 121.347 121.347 121.024 0.323 19614 97 1 1 . 1 1 44 44 LYS HA H 44 4.083 4.083 4.119 -0.036 19614 98 1 1 . 1 1 44 44 LYS C C 44 178.745 178.745 178.866 -0.121 19614 99 1 1 . 1 1 44 44 LYS CA C 44 58.846 58.846 58.404 0.442 19614 100 1 1 . 1 1 44 44 LYS CB C 44 32.493 32.493 32.329 0.164 19614 101 1 1 . 1 1 44 44 LYS H H 44 8.124 8.124 7.631 0.493 19614 102 1 1 . 1 1 45 45 ARG N N 45 120.603 120.603 119.170 1.433 19614 103 1 1 . 1 1 45 45 ARG HA H 45 4.247 4.247 4.012 0.235 19614 104 1 1 . 1 1 45 45 ARG C C 45 178.025 178.025 178.745 -0.720 19614 105 1 1 . 1 1 45 45 ARG CA C 45 58.201 58.201 59.571 -1.369 19614 106 1 1 . 1 1 45 45 ARG CB C 45 29.888 29.888 30.162 -0.274 19614 107 1 1 . 1 1 45 45 ARG H H 45 8.219 8.219 8.059 0.160 19614 108 1 1 . 1 1 46 46 ARG N N 46 121.714 121.714 119.833 1.881 19614 109 1 1 . 1 1 46 46 ARG HA H 46 3.908 3.908 3.989 -0.081 19614 110 1 1 . 1 1 46 46 ARG C C 46 177.855 177.855 178.095 -0.240 19614 111 1 1 . 1 1 46 46 ARG CA C 46 59.726 59.726 59.464 0.262 19614 112 1 1 . 1 1 46 46 ARG CB C 46 30.215 30.215 30.142 0.073 19614 113 1 1 . 1 1 46 46 ARG H H 46 8.245 8.245 8.540 -0.295 19614 114 1 1 . 1 1 47 47 ARG N N 47 118.469 118.469 119.175 -0.706 19614 115 1 1 . 1 1 47 47 ARG HA H 47 3.961 3.961 3.983 -0.022 19614 116 1 1 . 1 1 47 47 ARG C C 47 177.899 177.899 178.170 -0.271 19614 117 1 1 . 1 1 47 47 ARG CA C 47 58.541 58.541 59.430 -0.889 19614 118 1 1 . 1 1 47 47 ARG CB C 47 29.704 29.704 30.072 -0.367 19614 119 1 1 . 1 1 47 47 ARG H H 47 8.233 8.233 7.992 0.241 19614 120 1 1 . 1 1 48 48 ALA N N 48 121.720 121.720 121.084 0.636 19614 121 1 1 . 1 1 48 48 ALA HA H 48 4.205 4.205 4.026 0.179 19614 122 1 1 . 1 1 48 48 ALA C C 48 180.284 180.284 179.872 0.412 19614 123 1 1 . 1 1 48 48 ALA CA C 48 54.815 54.815 55.145 -0.330 19614 124 1 1 . 1 1 48 48 ALA CB C 48 18.025 18.025 18.109 -0.084 19614 125 1 1 . 1 1 48 48 ALA H H 48 7.962 7.962 7.967 -0.005 19614 126 1 1 . 1 1 49 49 ARG N N 49 119.603 119.603 118.696 0.907 19614 127 1 1 . 1 1 49 49 ARG C C 49 179.589 179.589 179.243 0.346 19614 128 1 1 . 1 1 49 49 ARG CA C 49 59.291 59.291 59.048 0.243 19614 129 1 1 . 1 1 49 49 ARG CB C 49 30.993 30.993 30.131 0.862 19614 130 1 1 . 1 1 49 49 ARG H H 49 8.103 8.103 7.597 0.506 19614 131 1 1 . 1 1 50 50 ILE N N 50 121.545 121.545 121.663 -0.118 19614 132 1 1 . 1 1 50 50 ILE HA H 50 3.662 3.662 3.540 0.122 19614 133 1 1 . 1 1 50 50 ILE C C 50 177.372 177.372 177.728 -0.356 19614 134 1 1 . 1 1 50 50 ILE CA C 50 65.302 65.302 65.702 -0.400 19614 135 1 1 . 1 1 50 50 ILE CB C 50 38.216 38.216 37.485 0.731 19614 136 1 1 . 1 1 50 50 ILE H H 50 8.145 8.145 8.620 -0.475 19614 137 1 1 . 1 1 51 51 ASN N N 51 117.894 117.894 118.030 -0.136 19614 138 1 1 . 1 1 51 51 ASN HA H 51 4.407 4.407 4.421 -0.014 19614 139 1 1 . 1 1 51 51 ASN C C 51 178.725 178.725 178.073 0.652 19614 140 1 1 . 1 1 51 51 ASN CA C 51 56.205 56.205 56.191 0.014 19614 141 1 1 . 1 1 51 51 ASN CB C 51 37.594 37.594 37.754 -0.160 19614 142 1 1 . 1 1 51 51 ASN H H 51 8.431 8.431 8.025 0.406 19614 143 1 1 . 1 1 52 52 GLU N N 52 121.612 121.612 121.115 0.497 19614 144 1 1 . 1 1 52 52 GLU HA H 52 4.205 4.205 3.970 0.235 19614 145 1 1 . 1 1 52 52 GLU C C 52 179.243 179.243 179.126 0.117 19614 146 1 1 . 1 1 52 52 GLU CA C 52 59.291 59.291 59.703 -0.412 19614 147 1 1 . 1 1 52 52 GLU CB C 52 29.101 29.101 29.482 -0.381 19614 148 1 1 . 1 1 52 52 GLU H H 52 8.299 8.299 8.599 -0.300 19614 149 1 1 . 1 1 53 53 SER N N 53 116.604 116.604 116.173 0.431 19614 150 1 1 . 1 1 53 53 SER C C 53 176.283 176.283 176.602 -0.319 19614 151 1 1 . 1 1 53 53 SER CA C 53 63.032 63.032 62.182 0.850 19614 152 1 1 . 1 1 53 53 SER H H 53 8.254 8.254 8.104 0.150 19614 153 1 1 . 1 1 54 54 LEU N N 54 121.925 121.925 122.428 -0.503 19614 154 1 1 . 1 1 54 54 LEU HA H 54 3.962 3.962 4.028 -0.066 19614 155 1 1 . 1 1 54 54 LEU C C 54 178.897 178.897 178.013 0.884 19614 156 1 1 . 1 1 54 54 LEU CA C 54 58.116 58.116 57.822 0.294 19614 157 1 1 . 1 1 54 54 LEU CB C 54 41.576 41.576 41.884 -0.308 19614 158 1 1 . 1 1 54 54 LEU H H 54 8.693 8.693 8.309 0.384 19614 159 1 1 . 1 1 55 55 SER N N 55 114.515 114.515 115.017 -0.502 19614 160 1 1 . 1 1 55 55 SER HA H 55 4.181 4.181 4.077 0.104 19614 161 1 1 . 1 1 55 55 SER C C 55 177.381 177.381 176.824 0.557 19614 162 1 1 . 1 1 55 55 SER CA C 55 61.568 61.568 62.272 -0.704 19614 163 1 1 . 1 1 55 55 SER CB C 55 62.527 62.527 63.077 -0.549 19614 164 1 1 . 1 1 55 55 SER H H 55 7.823 7.823 8.393 -0.570 19614 165 1 1 . 1 1 56 56 GLN N N 56 120.605 120.605 120.619 -0.014 19614 166 1 1 . 1 1 56 56 GLN HA H 56 4.087 4.087 4.200 -0.113 19614 167 1 1 . 1 1 56 56 GLN C C 56 178.904 178.904 178.248 0.656 19614 168 1 1 . 1 1 56 56 GLN CA C 56 58.679 58.679 58.148 0.531 19614 169 1 1 . 1 1 56 56 GLN CB C 56 28.669 28.669 28.329 0.340 19614 170 1 1 . 1 1 56 56 GLN H H 56 7.886 7.886 7.877 0.009 19614 171 1 1 . 1 1 57 57 LEU N N 57 120.488 120.488 122.898 -2.410 19614 172 1 1 . 1 1 57 57 LEU HA H 57 3.953 3.953 3.924 0.029 19614 173 1 1 . 1 1 57 57 LEU C C 57 177.406 177.406 178.254 -0.848 19614 174 1 1 . 1 1 57 57 LEU CA C 57 57.957 57.957 58.416 -0.459 19614 175 1 1 . 1 1 57 57 LEU CB C 57 41.486 41.486 42.064 -0.578 19614 176 1 1 . 1 1 57 57 LEU H H 57 8.845 8.845 8.216 0.629 19614 177 1 1 . 1 1 58 58 LYS N N 58 118.053 118.053 116.646 1.407 19614 178 1 1 . 1 1 58 58 LYS C C 58 176.891 176.891 178.933 -2.042 19614 179 1 1 . 1 1 58 58 LYS CA C 58 60.535 60.535 59.347 1.188 19614 180 1 1 . 1 1 58 58 LYS CB C 58 31.903 31.903 31.877 0.026 19614 181 1 1 . 1 1 58 58 LYS H H 58 8.145 8.145 8.185 -0.040 19614 182 1 1 . 1 1 59 59 THR N N 59 112.948 112.948 118.431 -5.483 19614 183 1 1 . 1 1 59 59 THR HA H 59 3.812 3.812 4.038 -0.226 19614 184 1 1 . 1 1 59 59 THR C C 59 176.273 176.273 176.485 -0.212 19614 185 1 1 . 1 1 59 59 THR CA C 59 66.367 66.367 67.190 -0.823 19614 186 1 1 . 1 1 59 59 THR CB C 59 68.902 68.902 68.651 0.251 19614 187 1 1 . 1 1 59 59 THR H H 59 7.393 7.393 7.606 -0.213 19614 188 1 1 . 1 1 60 60 LEU N N 60 120.435 120.435 120.554 -0.119 19614 189 1 1 . 1 1 60 60 LEU HA H 60 4.066 4.066 4.100 -0.034 19614 190 1 1 . 1 1 60 60 LEU C C 60 179.994 179.994 179.064 0.930 19614 191 1 1 . 1 1 60 60 LEU CA C 60 58.096 58.096 57.602 0.494 19614 192 1 1 . 1 1 60 60 LEU CB C 60 43.107 43.107 40.795 2.312 19614 193 1 1 . 1 1 60 60 LEU H H 60 8.005 8.005 8.015 -0.010 19614 194 1 1 . 1 1 61 61 ILE N N 61 120.041 120.041 120.251 -0.210 19614 195 1 1 . 1 1 61 61 ILE HA H 61 3.934 3.934 3.645 0.289 19614 196 1 1 . 1 1 61 61 ILE C C 61 176.957 176.957 178.226 -1.269 19614 197 1 1 . 1 1 61 61 ILE CA C 61 60.979 60.979 63.066 -2.087 19614 198 1 1 . 1 1 61 61 ILE CB C 61 37.229 37.229 36.892 0.336 19614 199 1 1 . 1 1 61 61 ILE H H 61 8.847 8.847 7.710 1.137 19614 200 1 1 . 1 1 62 62 LEU N N 62 121.236 121.236 121.256 -0.020 19614 201 1 1 . 1 1 62 62 LEU HA H 62 3.909 3.909 3.790 0.119 19614 202 1 1 . 1 1 62 62 LEU C C 62 179.562 179.562 178.926 0.636 19614 203 1 1 . 1 1 62 62 LEU CA C 62 58.035 58.035 58.325 -0.290 19614 204 1 1 . 1 1 62 62 LEU CB C 62 40.219 40.219 40.719 -0.500 19614 205 1 1 . 1 1 62 62 LEU H H 62 7.944 7.944 8.125 -0.181 19614 206 1 1 . 1 1 63 63 ASP N N 63 117.983 117.983 117.952 0.031 19614 207 1 1 . 1 1 63 63 ASP HA H 63 4.458 4.458 4.363 0.095 19614 208 1 1 . 1 1 63 63 ASP C C 63 178.858 178.858 176.972 1.886 19614 209 1 1 . 1 1 63 63 ASP CA C 63 56.964 56.964 57.084 -0.119 19614 210 1 1 . 1 1 63 63 ASP CB C 63 40.822 40.822 40.633 0.189 19614 211 1 1 . 1 1 63 63 ASP H H 63 7.844 7.844 7.832 0.012 19614 212 1 1 . 1 1 64 64 ALA N N 64 122.425 122.425 120.701 1.724 19614 213 1 1 . 1 1 64 64 ALA HA H 64 4.086 4.086 4.132 -0.046 19614 214 1 1 . 1 1 64 64 ALA C C 64 179.354 179.354 178.450 0.904 19614 215 1 1 . 1 1 64 64 ALA CA C 64 54.396 54.396 54.134 0.262 19614 216 1 1 . 1 1 64 64 ALA CB C 64 17.785 17.785 18.912 -1.127 19614 217 1 1 . 1 1 64 64 ALA H H 64 7.869 7.869 7.183 0.686 19614 218 1 1 . 1 1 65 65 LEU N N 65 116.489 116.489 115.276 1.213 19614 219 1 1 . 1 1 65 65 LEU HA H 65 4.222 4.222 4.331 -0.109 19614 220 1 1 . 1 1 65 65 LEU C C 65 176.661 176.661 176.649 0.012 19614 221 1 1 . 1 1 65 65 LEU CA C 65 54.642 54.642 55.220 -0.578 19614 222 1 1 . 1 1 65 65 LEU CB C 65 41.957 41.957 42.736 -0.779 19614 223 1 1 . 1 1 65 65 LEU H H 65 7.669 7.669 7.350 0.319 19614 224 1 1 . 1 1 66 66 LYS N N 66 118.229 118.229 115.804 2.425 19614 225 1 1 . 1 1 66 66 LYS HA H 66 4.058 4.058 3.949 0.109 19614 226 1 1 . 1 1 66 66 LYS C C 66 176.651 176.651 176.258 0.393 19614 227 1 1 . 1 1 66 66 LYS CA C 66 57.100 57.100 57.145 -0.045 19614 228 1 1 . 1 1 66 66 LYS CB C 66 30.249 30.249 28.921 1.328 19614 229 1 1 . 1 1 66 66 LYS H H 66 7.806 7.806 8.169 -0.363 19614 230 1 1 . 1 1 67 67 LYS N N 67 119.380 119.380 119.105 0.275 19614 231 1 1 . 1 1 67 67 LYS HA H 67 4.278 4.278 4.072 0.206 19614 232 1 1 . 1 1 67 67 LYS C C 67 176.163 176.163 176.765 -0.602 19614 233 1 1 . 1 1 67 67 LYS CA C 67 55.658 55.658 58.408 -2.751 19614 234 1 1 . 1 1 67 67 LYS CB C 67 33.462 33.462 32.756 0.706 19614 235 1 1 . 1 1 67 67 LYS H H 67 8.249 8.249 7.967 0.282 19614 236 1 1 . 1 1 68 68 ASP N N 68 120.812 120.812 115.441 5.371 19614 237 1 1 . 1 1 68 68 ASP HA H 68 4.601 4.601 4.657 -0.056 19614 238 1 1 . 1 1 68 68 ASP C C 68 177.001 177.001 175.320 1.681 19614 239 1 1 . 1 1 68 68 ASP CA C 68 54.192 54.192 54.272 -0.080 19614 240 1 1 . 1 1 68 68 ASP CB C 68 41.383 41.383 42.178 -0.795 19614 241 1 1 . 1 1 68 68 ASP H H 68 8.350 8.350 7.921 0.429 19614 242 1 1 . 1 1 69 69 SER N N 69 119.061 119.061 120.130 -1.069 19614 243 1 1 . 1 1 69 69 SER HA H 69 4.199 4.199 4.484 -0.285 19614 244 1 1 . 1 1 69 69 SER C C 69 175.643 175.643 175.222 0.421 19614 245 1 1 . 1 1 69 69 SER CA C 69 59.636 59.636 60.382 -0.746 19614 246 1 1 . 1 1 69 69 SER CB C 69 63.237 63.237 63.515 -0.278 19614 247 1 1 . 1 1 69 69 SER H H 69 8.608 8.608 8.557 0.051 19614 248 1 1 . 1 1 70 70 SER N N 70 118.325 118.325 117.396 0.929 19614 249 1 1 . 1 1 70 70 SER HA H 70 4.335 4.335 4.432 -0.097 19614 250 1 1 . 1 1 70 70 SER C C 70 175.275 175.275 175.702 -0.427 19614 251 1 1 . 1 1 70 70 SER CA C 70 59.700 59.700 60.809 -1.109 19614 252 1 1 . 1 1 70 70 SER CB C 70 63.243 63.243 63.178 0.065 19614 253 1 1 . 1 1 70 70 SER H H 70 8.514 8.514 8.241 0.273 19614 254 1 1 . 1 1 71 71 ARG N N 71 121.317 121.317 120.293 1.024 19614 255 1 1 . 1 1 71 71 ARG HA H 71 4.231 4.231 4.181 0.050 19614 256 1 1 . 1 1 71 71 ARG C C 71 176.223 176.223 178.583 -2.360 19614 257 1 1 . 1 1 71 71 ARG CA C 71 56.368 56.368 57.784 -1.416 19614 258 1 1 . 1 1 71 71 ARG CB C 71 30.148 30.148 28.920 1.228 19614 259 1 1 . 1 1 71 71 ARG H H 71 7.965 7.965 9.172 -1.207 19614 260 1 1 . 1 1 72 72 HIS N N 72 118.894 118.894 119.804 -0.910 19614 261 1 1 . 1 1 72 72 HIS HA H 72 4.663 4.663 4.390 0.273 19614 262 1 1 . 1 1 72 72 HIS C C 72 175.122 175.122 175.818 -0.696 19614 263 1 1 . 1 1 72 72 HIS CA C 72 55.935 55.935 58.101 -2.166 19614 264 1 1 . 1 1 72 72 HIS CB C 72 29.974 29.974 29.911 0.063 19614 265 1 1 . 1 1 72 72 HIS H H 72 8.036 8.036 7.855 0.181 19614 266 1 1 . 1 1 73 73 SER N N 73 116.302 116.302 114.182 2.120 19614 267 1 1 . 1 1 73 73 SER HA H 73 4.313 4.313 4.265 0.048 19614 268 1 1 . 1 1 73 73 SER C C 73 174.559 174.559 175.023 -0.464 19614 269 1 1 . 1 1 73 73 SER CA C 73 59.297 59.297 59.780 -0.483 19614 270 1 1 . 1 1 73 73 SER CB C 73 63.522 63.522 63.556 -0.034 19614 271 1 1 . 1 1 73 73 SER H H 73 8.029 8.029 7.772 0.257 19614 272 1 1 . 1 1 74 74 LYS N N 74 122.545 122.545 121.633 0.912 19614 273 1 1 . 1 1 74 74 LYS HA H 74 4.336 4.336 4.504 -0.168 19614 274 1 1 . 1 1 74 74 LYS C C 74 175.929 175.929 174.479 1.450 19614 275 1 1 . 1 1 74 74 LYS CA C 74 55.918 55.918 55.564 0.354 19614 276 1 1 . 1 1 74 74 LYS CB C 74 32.143 32.143 32.701 -0.558 19614 277 1 1 . 1 1 74 74 LYS H H 74 8.394 8.394 7.368 1.026 19614 278 1 1 . 1 1 75 75 LEU N N 75 123.393 123.393 124.100 -0.707 19614 279 1 1 . 1 1 75 75 LEU HA H 75 4.402 4.402 4.487 -0.085 19614 280 1 1 . 1 1 75 75 LEU C C 75 176.575 176.575 176.413 0.162 19614 281 1 1 . 1 1 75 75 LEU CA C 75 54.697 54.697 53.848 0.849 19614 282 1 1 . 1 1 75 75 LEU CB C 75 43.481 43.481 44.426 -0.945 19614 283 1 1 . 1 1 75 75 LEU H H 75 7.943 7.943 8.333 -0.390 19614 284 1 1 . 1 1 76 76 GLU N N 76 123.357 123.357 123.398 -0.041 19614 285 1 1 . 1 1 76 76 GLU HA H 76 4.551 4.551 4.301 0.250 19614 286 1 1 . 1 1 76 76 GLU C C 76 177.445 177.445 177.309 0.136 19614 287 1 1 . 1 1 76 76 GLU CA C 76 54.962 54.962 56.174 -1.212 19614 288 1 1 . 1 1 76 76 GLU CB C 76 31.245 31.245 30.483 0.762 19614 289 1 1 . 1 1 76 76 GLU H H 76 9.136 9.136 8.632 0.504 19614 290 1 1 . 1 1 77 77 LYS N N 77 122.655 122.655 125.692 -3.037 19614 291 1 1 . 1 1 77 77 LYS HA H 77 3.830 3.830 3.868 -0.038 19614 292 1 1 . 1 1 77 77 LYS C C 77 177.908 177.908 178.307 -0.399 19614 293 1 1 . 1 1 77 77 LYS CA C 77 61.105 61.105 60.051 1.054 19614 294 1 1 . 1 1 77 77 LYS CB C 77 32.423 32.423 32.405 0.018 19614 295 1 1 . 1 1 77 77 LYS H H 77 8.858 8.858 8.877 -0.019 19614 296 1 1 . 1 1 78 78 ALA N N 78 118.008 118.008 118.918 -0.910 19614 297 1 1 . 1 1 78 78 ALA HA H 78 3.892 3.892 4.182 -0.290 19614 298 1 1 . 1 1 78 78 ALA C C 78 179.758 179.758 179.570 0.188 19614 299 1 1 . 1 1 78 78 ALA CA C 78 55.456 55.456 54.725 0.731 19614 300 1 1 . 1 1 78 78 ALA CB C 78 17.839 17.839 18.041 -0.202 19614 301 1 1 . 1 1 78 78 ALA H H 78 9.131 9.131 8.346 0.785 19614 302 1 1 . 1 1 79 79 ASP N N 79 114.744 114.744 119.192 -4.448 19614 303 1 1 . 1 1 79 79 ASP HA H 79 4.346 4.346 4.523 -0.177 19614 304 1 1 . 1 1 79 79 ASP C C 79 178.104 178.104 178.402 -0.298 19614 305 1 1 . 1 1 79 79 ASP CA C 79 57.088 57.088 56.936 0.152 19614 306 1 1 . 1 1 79 79 ASP CB C 79 41.728 41.728 41.114 0.614 19614 307 1 1 . 1 1 79 79 ASP H H 79 7.052 7.052 7.896 -0.844 19614 308 1 1 . 1 1 80 80 ILE N N 80 119.398 119.398 120.739 -1.341 19614 309 1 1 . 1 1 80 80 ILE HA H 80 3.592 3.592 3.645 -0.053 19614 310 1 1 . 1 1 80 80 ILE C C 80 179.567 179.567 177.917 1.650 19614 311 1 1 . 1 1 80 80 ILE CA C 80 64.201 64.201 65.665 -1.464 19614 312 1 1 . 1 1 80 80 ILE CB C 80 37.514 37.514 38.075 -0.561 19614 313 1 1 . 1 1 80 80 ILE H H 80 7.983 7.983 7.825 0.158 19614 314 1 1 . 1 1 81 81 LEU N N 81 120.930 120.930 119.980 0.950 19614 315 1 1 . 1 1 81 81 LEU HA H 81 3.931 3.931 3.888 0.043 19614 316 1 1 . 1 1 81 81 LEU C C 81 178.312 178.312 178.972 -0.660 19614 317 1 1 . 1 1 81 81 LEU CA C 81 58.588 58.588 58.322 0.266 19614 318 1 1 . 1 1 81 81 LEU CB C 81 41.727 41.727 41.229 0.498 19614 319 1 1 . 1 1 81 81 LEU H H 81 8.171 8.171 8.036 0.135 19614 320 1 1 . 1 1 82 82 GLU N N 82 119.314 119.314 119.648 -0.334 19614 321 1 1 . 1 1 82 82 GLU HA H 82 3.917 3.917 3.941 -0.024 19614 322 1 1 . 1 1 82 82 GLU C C 82 180.151 180.151 178.901 1.250 19614 323 1 1 . 1 1 82 82 GLU CA C 82 59.864 59.864 59.434 0.430 19614 324 1 1 . 1 1 82 82 GLU CB C 82 29.364 29.364 29.550 -0.186 19614 325 1 1 . 1 1 82 82 GLU H H 82 7.984 7.984 8.018 -0.034 19614 326 1 1 . 1 1 83 83 MET N N 83 118.669 118.669 118.766 -0.097 19614 327 1 1 . 1 1 83 83 MET HA H 83 4.033 4.033 4.244 -0.211 19614 328 1 1 . 1 1 83 83 MET C C 83 178.488 178.488 178.317 0.171 19614 329 1 1 . 1 1 83 83 MET CA C 83 59.083 59.083 57.772 1.311 19614 330 1 1 . 1 1 83 83 MET CB C 83 33.883 33.883 32.189 1.694 19614 331 1 1 . 1 1 83 83 MET H H 83 8.639 8.639 7.937 0.702 19614 332 1 1 . 1 1 84 84 THR N N 84 118.733 118.733 116.888 1.845 19614 333 1 1 . 1 1 84 84 THR HA H 84 3.853 3.853 4.156 -0.303 19614 334 1 1 . 1 1 84 84 THR C C 84 175.659 175.659 176.827 -1.168 19614 335 1 1 . 1 1 84 84 THR CA C 84 68.029 68.029 66.748 1.281 19614 336 1 1 . 1 1 84 84 THR CB C 84 67.595 67.595 68.584 -0.989 19614 337 1 1 . 1 1 84 84 THR H H 84 7.946 7.946 7.728 0.218 19614 338 1 1 . 1 1 85 85 VAL N N 85 122.083 122.083 121.948 0.135 19614 339 1 1 . 1 1 85 85 VAL HA H 85 3.311 3.311 3.578 -0.267 19614 340 1 1 . 1 1 85 85 VAL C C 85 177.078 177.078 177.729 -0.651 19614 341 1 1 . 1 1 85 85 VAL CA C 85 67.381 67.381 66.774 0.607 19614 342 1 1 . 1 1 85 85 VAL CB C 85 32.168 32.168 31.391 0.777 19614 343 1 1 . 1 1 85 85 VAL H H 85 8.089 8.089 8.034 0.055 19614 344 1 1 . 1 1 86 86 LYS N N 86 117.409 117.409 118.461 -1.052 19614 345 1 1 . 1 1 86 86 LYS HA H 86 3.835 3.835 3.984 -0.149 19614 346 1 1 . 1 1 86 86 LYS C C 86 178.617 178.617 178.784 -0.167 19614 347 1 1 . 1 1 86 86 LYS CA C 86 60.014 60.014 59.705 0.309 19614 348 1 1 . 1 1 86 86 LYS CB C 86 32.336 32.336 32.227 0.109 19614 349 1 1 . 1 1 86 86 LYS H H 86 7.785 7.785 8.462 -0.677 19614 350 1 1 . 1 1 87 87 HIS N N 87 118.731 118.731 119.610 -0.879 19614 351 1 1 . 1 1 87 87 HIS HA H 87 4.513 4.513 4.417 0.096 19614 352 1 1 . 1 1 87 87 HIS C C 87 177.356 177.356 177.112 0.244 19614 353 1 1 . 1 1 87 87 HIS CA C 87 59.368 59.368 58.670 0.698 19614 354 1 1 . 1 1 87 87 HIS CB C 87 32.047 32.047 29.786 2.261 19614 355 1 1 . 1 1 87 87 HIS H H 87 8.055 8.055 7.865 0.190 19614 356 1 1 . 1 1 88 88 LEU N N 88 117.189 117.189 120.469 -3.280 19614 357 1 1 . 1 1 88 88 LEU C C 88 180.158 180.158 178.470 1.688 19614 358 1 1 . 1 1 88 88 LEU CA C 88 57.927 57.927 57.875 0.052 19614 359 1 1 . 1 1 88 88 LEU CB C 88 41.748 41.748 41.704 0.044 19614 360 1 1 . 1 1 88 88 LEU H H 88 8.450 8.450 7.970 0.480 19614 361 1 1 . 1 1 89 89 ARG N N 89 119.542 119.542 118.863 0.679 19614 362 1 1 . 1 1 89 89 ARG HA H 89 3.901 3.901 3.939 -0.038 19614 363 1 1 . 1 1 89 89 ARG C C 89 178.875 178.875 178.909 -0.034 19614 364 1 1 . 1 1 89 89 ARG CA C 89 59.667 59.667 58.295 1.372 19614 365 1 1 . 1 1 89 89 ARG CB C 89 29.542 29.542 28.925 0.617 19614 366 1 1 . 1 1 89 89 ARG H H 89 8.616 8.616 7.860 0.756 19614 367 1 1 . 1 1 90 90 ASN N N 90 118.676 118.676 119.043 -0.367 19614 368 1 1 . 1 1 90 90 ASN HA H 90 4.478 4.478 4.477 0.001 19614 369 1 1 . 1 1 90 90 ASN C C 90 177.824 177.824 177.766 0.058 19614 370 1 1 . 1 1 90 90 ASN CA C 90 55.393 55.393 55.910 -0.517 19614 371 1 1 . 1 1 90 90 ASN CB C 90 37.874 37.874 38.009 -0.135 19614 372 1 1 . 1 1 90 90 ASN H H 90 7.935 7.935 7.776 0.159 19614 373 1 1 . 1 1 91 91 LEU N N 91 119.885 119.885 120.567 -0.682 19614 374 1 1 . 1 1 91 91 LEU HA H 91 4.045 4.045 3.937 0.108 19614 375 1 1 . 1 1 91 91 LEU C C 91 178.707 178.707 179.173 -0.466 19614 376 1 1 . 1 1 91 91 LEU CA C 91 56.705 56.705 57.748 -1.043 19614 377 1 1 . 1 1 91 91 LEU CB C 91 41.918 41.918 41.456 0.462 19614 378 1 1 . 1 1 91 91 LEU H H 91 7.890 7.890 8.239 -0.349 19614 379 1 1 . 1 1 92 92 GLN N N 92 118.288 118.288 116.457 1.831 19614 380 1 1 . 1 1 92 92 GLN HA H 92 4.149 4.149 4.135 0.014 19614 381 1 1 . 1 1 92 92 GLN C C 92 176.562 176.562 177.767 -1.205 19614 382 1 1 . 1 1 92 92 GLN CA C 92 57.055 57.055 58.154 -1.099 19614 383 1 1 . 1 1 92 92 GLN CB C 92 28.937 28.937 28.982 -0.045 19614 384 1 1 . 1 1 92 92 GLN H H 92 7.683 7.683 8.074 -0.391 19614 385 1 1 . 1 1 93 93 ARG N N 93 119.664 119.664 115.343 4.321 19614 386 1 1 . 1 1 93 93 ARG HA H 93 4.238 4.238 4.562 -0.324 19614 387 1 1 . 1 1 93 93 ARG C C 93 175.928 175.928 177.048 -1.120 19614 388 1 1 . 1 1 93 93 ARG CA C 93 56.467 56.467 55.820 0.647 19614 389 1 1 . 1 1 93 93 ARG CB C 93 30.459 30.459 30.150 0.309 19614 390 1 1 . 1 1 93 93 ARG H H 93 7.786 7.786 7.833 -0.047 19614 391 1 1 . 1 1 94 94 ALA N N 94 124.562 124.562 122.792 1.770 19614 392 1 1 . 1 1 94 94 ALA HA H 94 4.308 4.308 4.381 -0.073 19614 393 1 1 . 1 1 94 94 ALA C C 94 176.753 176.753 176.220 0.533 19614 394 1 1 . 1 1 94 94 ALA CA C 94 52.465 52.465 52.832 -0.367 19614 395 1 1 . 1 1 94 94 ALA CB C 94 19.023 19.023 19.616 -0.593 19614 396 1 1 . 1 1 94 94 ALA H H 94 8.017 8.017 8.463 -0.446 19614 397 1 2 . 1 1 27 27 LYS HA H 27 4.626 4.626 4.672 -0.046 19614 398 1 2 . 1 1 27 27 LYS CA C 27 54.410 54.410 54.960 -0.550 19614 399 1 2 . 1 1 27 27 LYS CB C 27 32.346 32.346 33.197 -0.851 19614 400 1 2 . 1 1 28 28 PRO HA H 28 4.402 4.402 4.553 -0.151 19614 401 1 2 . 1 1 28 28 PRO C C 28 176.815 176.815 176.226 0.589 19614 402 1 2 . 1 1 28 28 PRO CA C 28 62.876 62.876 62.207 0.669 19614 403 1 2 . 1 1 28 28 PRO CB C 28 32.162 32.162 32.702 -0.540 19614 404 1 2 . 1 1 29 29 LYS N N 29 122.449 122.449 120.211 2.238 19614 405 1 2 . 1 1 29 29 LYS HA H 29 4.297 4.297 4.304 -0.007 19614 406 1 2 . 1 1 29 29 LYS C C 29 176.961 176.961 177.150 -0.189 19614 407 1 2 . 1 1 29 29 LYS CA C 29 56.463 56.463 56.313 0.150 19614 408 1 2 . 1 1 29 29 LYS CB C 29 32.816 32.816 32.142 0.674 19614 409 1 2 . 1 1 29 29 LYS H H 29 8.586 8.586 8.395 0.191 19614 410 1 2 . 1 1 30 30 THR N N 30 115.695 115.695 120.930 -5.235 19614 411 1 2 . 1 1 30 30 THR HA H 30 4.293 4.293 4.074 0.219 19614 412 1 2 . 1 1 30 30 THR C C 30 174.354 174.354 174.740 -0.386 19614 413 1 2 . 1 1 30 30 THR CA C 30 61.555 61.555 64.561 -3.006 19614 414 1 2 . 1 1 30 30 THR CB C 30 69.949 69.949 69.097 0.852 19614 415 1 2 . 1 1 30 30 THR H H 30 8.219 8.219 8.215 0.004 19614 416 1 2 . 1 1 31 31 ALA N N 31 125.923 125.923 123.487 2.436 19614 417 1 2 . 1 1 31 31 ALA HA H 31 4.312 4.312 4.329 -0.017 19614 418 1 2 . 1 1 31 31 ALA C C 31 178.014 178.014 176.221 1.793 19614 419 1 2 . 1 1 31 31 ALA CA C 31 52.781 52.781 51.327 1.454 19614 420 1 2 . 1 1 31 31 ALA CB C 31 19.125 19.125 18.109 1.016 19614 421 1 2 . 1 1 31 31 ALA H H 31 8.505 8.505 8.232 0.273 19614 422 1 2 . 1 1 32 32 SER N N 32 115.249 115.249 119.635 -4.386 19614 423 1 2 . 1 1 32 32 SER HA H 32 4.338 4.338 4.484 -0.146 19614 424 1 2 . 1 1 32 32 SER C C 32 174.783 174.783 174.963 -0.180 19614 425 1 2 . 1 1 32 32 SER CA C 32 58.633 58.633 57.850 0.783 19614 426 1 2 . 1 1 32 32 SER CB C 32 63.475 63.475 62.446 1.029 19614 427 1 2 . 1 1 32 32 SER H H 32 8.365 8.365 7.917 0.448 19614 428 1 2 . 1 1 33 33 GLU N N 33 122.748 122.748 125.001 -2.253 19614 429 1 2 . 1 1 33 33 GLU HA H 33 4.205 4.205 3.991 0.214 19614 430 1 2 . 1 1 33 33 GLU C C 33 176.411 176.411 177.024 -0.613 19614 431 1 2 . 1 1 33 33 GLU CA C 33 56.678 56.678 59.012 -2.334 19614 432 1 2 . 1 1 33 33 GLU CB C 33 30.241 30.241 29.952 0.289 19614 433 1 2 . 1 1 33 33 GLU H H 33 8.390 8.390 7.876 0.514 19614 434 1 2 . 1 1 34 34 HIS N N 34 120.453 120.453 117.353 3.100 19614 435 1 2 . 1 1 34 34 HIS HA H 34 4.605 4.605 4.588 0.017 19614 436 1 2 . 1 1 34 34 HIS C C 34 175.167 175.167 174.330 0.837 19614 437 1 2 . 1 1 34 34 HIS CA C 34 56.035 56.035 56.229 -0.194 19614 438 1 2 . 1 1 34 34 HIS CB C 34 29.938 29.938 29.126 0.812 19614 439 1 2 . 1 1 34 34 HIS H H 34 8.431 8.431 7.977 0.454 19614 440 1 2 . 1 1 35 35 ARG N N 35 122.797 122.797 124.586 -1.789 19614 441 1 2 . 1 1 35 35 ARG HA H 35 4.261 4.261 4.176 0.085 19614 442 1 2 . 1 1 35 35 ARG C C 35 176.411 176.411 174.892 1.519 19614 443 1 2 . 1 1 35 35 ARG CA C 35 56.306 56.306 56.351 -0.045 19614 444 1 2 . 1 1 35 35 ARG CB C 35 30.587 30.587 31.980 -1.393 19614 445 1 2 . 1 1 35 35 ARG H H 35 8.419 8.419 8.267 0.152 19614 446 1 2 . 1 1 36 36 LYS N N 36 122.974 122.974 120.547 2.427 19614 447 1 2 . 1 1 36 36 LYS HA H 36 4.288 4.288 4.443 -0.155 19614 448 1 2 . 1 1 36 36 LYS C C 36 176.738 176.738 174.406 2.332 19614 449 1 2 . 1 1 36 36 LYS CA C 36 56.514 56.514 55.839 0.675 19614 450 1 2 . 1 1 36 36 LYS CB C 36 32.857 32.857 34.659 -1.802 19614 451 1 2 . 1 1 36 36 LYS H H 36 8.482 8.482 7.915 0.567 19614 452 1 2 . 1 1 37 37 SER N N 37 117.137 117.137 120.461 -3.324 19614 453 1 2 . 1 1 37 37 SER HA H 37 4.469 4.469 4.686 -0.217 19614 454 1 2 . 1 1 37 37 SER C C 37 174.495 174.495 175.171 -0.676 19614 455 1 2 . 1 1 37 37 SER CA C 37 58.115 58.115 58.044 0.071 19614 456 1 2 . 1 1 37 37 SER CB C 37 63.627 63.627 63.864 -0.237 19614 457 1 2 . 1 1 37 37 SER H H 37 8.410 8.410 8.619 -0.209 19614 458 1 2 . 1 1 38 38 SER N N 38 118.622 118.622 116.881 1.741 19614 459 1 2 . 1 1 38 38 SER HA H 38 4.467 4.467 4.459 0.008 19614 460 1 2 . 1 1 38 38 SER C C 38 174.332 174.332 174.750 -0.418 19614 461 1 2 . 1 1 38 38 SER CA C 38 58.187 58.187 59.045 -0.858 19614 462 1 2 . 1 1 38 38 SER CB C 38 63.703 63.703 63.499 0.203 19614 463 1 2 . 1 1 38 38 SER H H 38 8.456 8.456 8.609 -0.153 19614 464 1 2 . 1 1 39 39 LYS N N 39 124.176 124.176 123.014 1.162 19614 465 1 2 . 1 1 39 39 LYS HA H 39 4.478 4.478 4.677 -0.199 19614 466 1 2 . 1 1 39 39 LYS C C 39 174.904 174.904 175.269 -0.365 19614 467 1 2 . 1 1 39 39 LYS CA C 39 56.707 56.707 53.544 3.163 19614 468 1 2 . 1 1 39 39 LYS CB C 39 31.595 31.595 32.942 -1.347 19614 469 1 2 . 1 1 39 39 LYS H H 39 8.489 8.489 7.789 0.700 19614 470 1 2 . 1 1 40 40 PRO HA H 40 4.401 4.401 4.304 0.097 19614 471 1 2 . 1 1 40 40 PRO C C 40 178.173 178.173 178.158 0.015 19614 472 1 2 . 1 1 40 40 PRO CA C 40 64.315 64.315 65.282 -0.967 19614 473 1 2 . 1 1 40 40 PRO CB C 40 31.675 31.675 31.849 -0.174 19614 474 1 2 . 1 1 41 41 ILE N N 41 120.414 120.414 118.105 2.309 19614 475 1 2 . 1 1 41 41 ILE HA H 41 3.967 3.967 3.826 0.141 19614 476 1 2 . 1 1 41 41 ILE C C 41 177.393 177.393 177.388 0.005 19614 477 1 2 . 1 1 41 41 ILE CA C 41 62.575 62.575 64.643 -2.068 19614 478 1 2 . 1 1 41 41 ILE CB C 41 37.900 37.900 37.745 0.155 19614 479 1 2 . 1 1 41 41 ILE H H 41 8.011 8.011 7.897 0.114 19614 480 1 2 . 1 1 42 42 MET N N 42 122.411 122.411 117.995 4.416 19614 481 1 2 . 1 1 42 42 MET HA H 42 4.330 4.330 4.212 0.118 19614 482 1 2 . 1 1 42 42 MET C C 42 178.050 178.050 178.602 -0.552 19614 483 1 2 . 1 1 42 42 MET CA C 42 56.959 56.959 58.037 -1.078 19614 484 1 2 . 1 1 42 42 MET CB C 42 32.024 32.024 31.155 0.869 19614 485 1 2 . 1 1 42 42 MET H H 42 8.335 8.335 7.974 0.361 19614 486 1 2 . 1 1 43 43 GLU N N 43 121.832 121.832 118.615 3.217 19614 487 1 2 . 1 1 43 43 GLU HA H 43 4.193 4.193 4.068 0.125 19614 488 1 2 . 1 1 43 43 GLU C C 43 177.835 177.835 178.975 -1.140 19614 489 1 2 . 1 1 43 43 GLU CA C 43 58.157 58.157 59.182 -1.025 19614 490 1 2 . 1 1 43 43 GLU CB C 43 29.543 29.543 28.975 0.568 19614 491 1 2 . 1 1 43 43 GLU H H 43 8.397 8.397 8.345 0.052 19614 492 1 2 . 1 1 44 44 LYS N N 44 121.347 121.347 121.236 0.111 19614 493 1 2 . 1 1 44 44 LYS HA H 44 4.083 4.083 4.133 -0.050 19614 494 1 2 . 1 1 44 44 LYS C C 44 178.745 178.745 178.867 -0.122 19614 495 1 2 . 1 1 44 44 LYS CA C 44 58.846 58.846 58.345 0.501 19614 496 1 2 . 1 1 44 44 LYS CB C 44 32.493 32.493 32.309 0.184 19614 497 1 2 . 1 1 44 44 LYS H H 44 8.124 8.124 7.795 0.329 19614 498 1 2 . 1 1 45 45 ARG N N 45 120.603 120.603 119.215 1.388 19614 499 1 2 . 1 1 45 45 ARG HA H 45 4.247 4.247 3.982 0.265 19614 500 1 2 . 1 1 45 45 ARG C C 45 178.025 178.025 178.741 -0.716 19614 501 1 2 . 1 1 45 45 ARG CA C 45 58.201 58.201 59.696 -1.495 19614 502 1 2 . 1 1 45 45 ARG CB C 45 29.888 29.888 30.169 -0.281 19614 503 1 2 . 1 1 45 45 ARG H H 45 8.219 8.219 8.199 0.020 19614 504 1 2 . 1 1 46 46 ARG N N 46 121.714 121.714 119.731 1.983 19614 505 1 2 . 1 1 46 46 ARG HA H 46 3.908 3.908 3.980 -0.072 19614 506 1 2 . 1 1 46 46 ARG C C 46 177.855 177.855 178.201 -0.346 19614 507 1 2 . 1 1 46 46 ARG CA C 46 59.726 59.726 59.508 0.218 19614 508 1 2 . 1 1 46 46 ARG CB C 46 30.215 30.215 30.124 0.091 19614 509 1 2 . 1 1 46 46 ARG H H 46 8.245 8.245 8.401 -0.156 19614 510 1 2 . 1 1 47 47 ARG N N 47 118.469 118.469 119.089 -0.620 19614 511 1 2 . 1 1 47 47 ARG HA H 47 3.961 3.961 3.993 -0.032 19614 512 1 2 . 1 1 47 47 ARG C C 47 177.899 177.899 178.263 -0.364 19614 513 1 2 . 1 1 47 47 ARG CA C 47 58.541 58.541 59.430 -0.889 19614 514 1 2 . 1 1 47 47 ARG CB C 47 29.704 29.704 30.154 -0.450 19614 515 1 2 . 1 1 47 47 ARG H H 47 8.233 8.233 8.250 -0.017 19614 516 1 2 . 1 1 48 48 ALA N N 48 121.720 121.720 120.876 0.844 19614 517 1 2 . 1 1 48 48 ALA HA H 48 4.205 4.205 4.006 0.199 19614 518 1 2 . 1 1 48 48 ALA C C 48 180.284 180.284 179.139 1.145 19614 519 1 2 . 1 1 48 48 ALA CA C 48 54.815 54.815 55.297 -0.482 19614 520 1 2 . 1 1 48 48 ALA CB C 48 18.025 18.025 18.322 -0.297 19614 521 1 2 . 1 1 48 48 ALA H H 48 7.962 7.962 8.061 -0.099 19614 522 1 2 . 1 1 49 49 ARG N N 49 119.603 119.603 119.382 0.221 19614 523 1 2 . 1 1 49 49 ARG C C 49 179.589 179.589 178.655 0.934 19614 524 1 2 . 1 1 49 49 ARG CA C 49 59.291 59.291 59.134 0.157 19614 525 1 2 . 1 1 49 49 ARG CB C 49 30.993 30.993 30.158 0.835 19614 526 1 2 . 1 1 49 49 ARG H H 49 8.103 8.103 7.755 0.348 19614 527 1 2 . 1 1 50 50 ILE N N 50 121.545 121.545 121.026 0.519 19614 528 1 2 . 1 1 50 50 ILE HA H 50 3.662 3.662 3.544 0.118 19614 529 1 2 . 1 1 50 50 ILE C C 50 177.372 177.372 177.805 -0.433 19614 530 1 2 . 1 1 50 50 ILE CA C 50 65.302 65.302 65.700 -0.398 19614 531 1 2 . 1 1 50 50 ILE CB C 50 38.216 38.216 37.525 0.691 19614 532 1 2 . 1 1 50 50 ILE H H 50 8.145 8.145 8.619 -0.474 19614 533 1 2 . 1 1 51 51 ASN N N 51 117.894 117.894 117.954 -0.060 19614 534 1 2 . 1 1 51 51 ASN HA H 51 4.407 4.407 4.453 -0.046 19614 535 1 2 . 1 1 51 51 ASN C C 51 178.725 178.725 178.292 0.433 19614 536 1 2 . 1 1 51 51 ASN CA C 51 56.205 56.205 56.157 0.048 19614 537 1 2 . 1 1 51 51 ASN CB C 51 37.594 37.594 37.736 -0.142 19614 538 1 2 . 1 1 51 51 ASN H H 51 8.431 8.431 8.054 0.377 19614 539 1 2 . 1 1 52 52 GLU N N 52 121.612 121.612 120.502 1.110 19614 540 1 2 . 1 1 52 52 GLU HA H 52 4.205 4.205 4.169 0.036 19614 541 1 2 . 1 1 52 52 GLU C C 52 179.243 179.243 179.203 0.040 19614 542 1 2 . 1 1 52 52 GLU CA C 52 59.291 59.291 59.091 0.200 19614 543 1 2 . 1 1 52 52 GLU CB C 52 29.101 29.101 29.135 -0.034 19614 544 1 2 . 1 1 52 52 GLU H H 52 8.299 8.299 8.583 -0.284 19614 545 1 2 . 1 1 53 53 SER N N 53 116.604 116.604 116.906 -0.302 19614 546 1 2 . 1 1 53 53 SER C C 53 176.283 176.283 176.657 -0.374 19614 547 1 2 . 1 1 53 53 SER CA C 53 63.032 63.032 61.998 1.034 19614 548 1 2 . 1 1 53 53 SER H H 53 8.254 8.254 8.216 0.038 19614 549 1 2 . 1 1 54 54 LEU N N 54 121.925 121.925 122.662 -0.737 19614 550 1 2 . 1 1 54 54 LEU HA H 54 3.962 3.962 4.077 -0.115 19614 551 1 2 . 1 1 54 54 LEU C C 54 178.897 178.897 178.009 0.888 19614 552 1 2 . 1 1 54 54 LEU CA C 54 58.116 58.116 57.748 0.367 19614 553 1 2 . 1 1 54 54 LEU CB C 54 41.576 41.576 41.905 -0.329 19614 554 1 2 . 1 1 54 54 LEU H H 54 8.693 8.693 8.570 0.123 19614 555 1 2 . 1 1 55 55 SER N N 55 114.515 114.515 115.391 -0.876 19614 556 1 2 . 1 1 55 55 SER HA H 55 4.181 4.181 4.092 0.089 19614 557 1 2 . 1 1 55 55 SER C C 55 177.381 177.381 176.781 0.600 19614 558 1 2 . 1 1 55 55 SER CA C 55 61.568 61.568 62.381 -0.813 19614 559 1 2 . 1 1 55 55 SER CB C 55 62.527 62.527 63.008 -0.481 19614 560 1 2 . 1 1 55 55 SER H H 55 7.823 7.823 8.143 -0.320 19614 561 1 2 . 1 1 56 56 GLN N N 56 120.605 120.605 120.584 0.021 19614 562 1 2 . 1 1 56 56 GLN HA H 56 4.087 4.087 4.165 -0.078 19614 563 1 2 . 1 1 56 56 GLN C C 56 178.904 178.904 178.123 0.781 19614 564 1 2 . 1 1 56 56 GLN CA C 56 58.679 58.679 58.235 0.444 19614 565 1 2 . 1 1 56 56 GLN CB C 56 28.669 28.669 28.343 0.326 19614 566 1 2 . 1 1 56 56 GLN H H 56 7.886 7.886 7.744 0.142 19614 567 1 2 . 1 1 57 57 LEU N N 57 120.488 120.488 123.529 -3.041 19614 568 1 2 . 1 1 57 57 LEU HA H 57 3.953 3.953 4.006 -0.053 19614 569 1 2 . 1 1 57 57 LEU C C 57 177.406 177.406 178.533 -1.127 19614 570 1 2 . 1 1 57 57 LEU CA C 57 57.957 57.957 58.048 -0.091 19614 571 1 2 . 1 1 57 57 LEU CB C 57 41.486 41.486 41.323 0.163 19614 572 1 2 . 1 1 57 57 LEU H H 57 8.845 8.845 8.624 0.221 19614 573 1 2 . 1 1 58 58 LYS N N 58 118.053 118.053 118.577 -0.524 19614 574 1 2 . 1 1 58 58 LYS C C 58 176.891 176.891 178.958 -2.067 19614 575 1 2 . 1 1 58 58 LYS CA C 58 60.535 60.535 59.794 0.742 19614 576 1 2 . 1 1 58 58 LYS CB C 58 31.903 31.903 31.871 0.032 19614 577 1 2 . 1 1 58 58 LYS H H 58 8.145 8.145 8.400 -0.255 19614 578 1 2 . 1 1 59 59 THR N N 59 112.948 112.948 117.919 -4.971 19614 579 1 2 . 1 1 59 59 THR HA H 59 3.812 3.812 4.080 -0.268 19614 580 1 2 . 1 1 59 59 THR C C 59 176.273 176.273 176.951 -0.678 19614 581 1 2 . 1 1 59 59 THR CA C 59 66.367 66.367 67.010 -0.644 19614 582 1 2 . 1 1 59 59 THR CB C 59 68.902 68.902 68.634 0.268 19614 583 1 2 . 1 1 59 59 THR H H 59 7.393 7.393 7.942 -0.549 19614 584 1 2 . 1 1 60 60 LEU N N 60 120.435 120.435 121.024 -0.589 19614 585 1 2 . 1 1 60 60 LEU HA H 60 4.066 4.066 4.132 -0.066 19614 586 1 2 . 1 1 60 60 LEU C C 60 179.994 179.994 178.859 1.135 19614 587 1 2 . 1 1 60 60 LEU CA C 60 58.096 58.096 57.571 0.525 19614 588 1 2 . 1 1 60 60 LEU CB C 60 43.107 43.107 40.627 2.480 19614 589 1 2 . 1 1 60 60 LEU H H 60 8.005 8.005 8.515 -0.510 19614 590 1 2 . 1 1 61 61 ILE N N 61 120.041 120.041 120.194 -0.153 19614 591 1 2 . 1 1 61 61 ILE HA H 61 3.934 3.934 3.562 0.372 19614 592 1 2 . 1 1 61 61 ILE C C 61 176.957 176.957 177.807 -0.850 19614 593 1 2 . 1 1 61 61 ILE CA C 61 60.979 60.979 63.860 -2.881 19614 594 1 2 . 1 1 61 61 ILE CB C 61 37.229 37.229 36.783 0.446 19614 595 1 2 . 1 1 61 61 ILE H H 61 8.847 8.847 8.153 0.694 19614 596 1 2 . 1 1 62 62 LEU N N 62 121.236 121.236 120.388 0.848 19614 597 1 2 . 1 1 62 62 LEU HA H 62 3.909 3.909 3.914 -0.005 19614 598 1 2 . 1 1 62 62 LEU C C 62 179.562 179.562 178.440 1.122 19614 599 1 2 . 1 1 62 62 LEU CA C 62 58.035 58.035 57.368 0.667 19614 600 1 2 . 1 1 62 62 LEU CB C 62 40.219 40.219 40.524 -0.305 19614 601 1 2 . 1 1 62 62 LEU H H 62 7.944 7.944 8.087 -0.143 19614 602 1 2 . 1 1 63 63 ASP N N 63 117.983 117.983 119.736 -1.753 19614 603 1 2 . 1 1 63 63 ASP HA H 63 4.458 4.458 4.422 0.036 19614 604 1 2 . 1 1 63 63 ASP C C 63 178.858 178.858 176.933 1.925 19614 605 1 2 . 1 1 63 63 ASP CA C 63 56.964 56.964 56.865 0.099 19614 606 1 2 . 1 1 63 63 ASP CB C 63 40.822 40.822 41.339 -0.517 19614 607 1 2 . 1 1 63 63 ASP H H 63 7.844 7.844 7.866 -0.022 19614 608 1 2 . 1 1 64 64 ALA N N 64 122.425 122.425 119.829 2.596 19614 609 1 2 . 1 1 64 64 ALA HA H 64 4.086 4.086 4.263 -0.177 19614 610 1 2 . 1 1 64 64 ALA C C 64 179.354 179.354 179.243 0.111 19614 611 1 2 . 1 1 64 64 ALA CA C 64 54.396 54.396 54.182 0.214 19614 612 1 2 . 1 1 64 64 ALA CB C 64 17.785 17.785 19.469 -1.684 19614 613 1 2 . 1 1 64 64 ALA H H 64 7.869 7.869 7.741 0.128 19614 614 1 2 . 1 1 65 65 LEU N N 65 116.489 116.489 115.823 0.666 19614 615 1 2 . 1 1 65 65 LEU HA H 65 4.222 4.222 4.129 0.093 19614 616 1 2 . 1 1 65 65 LEU C C 65 176.661 176.661 176.647 0.014 19614 617 1 2 . 1 1 65 65 LEU CA C 65 54.642 54.642 55.274 -0.632 19614 618 1 2 . 1 1 65 65 LEU CB C 65 41.957 41.957 42.279 -0.322 19614 619 1 2 . 1 1 65 65 LEU H H 65 7.669 7.669 7.745 -0.076 19614 620 1 2 . 1 1 66 66 LYS N N 66 118.229 118.229 116.485 1.744 19614 621 1 2 . 1 1 66 66 LYS HA H 66 4.058 4.058 4.064 -0.006 19614 622 1 2 . 1 1 66 66 LYS C C 66 176.651 176.651 176.182 0.469 19614 623 1 2 . 1 1 66 66 LYS CA C 66 57.100 57.100 56.881 0.219 19614 624 1 2 . 1 1 66 66 LYS CB C 66 30.249 30.249 30.003 0.246 19614 625 1 2 . 1 1 66 66 LYS H H 66 7.806 7.806 7.401 0.405 19614 626 1 2 . 1 1 67 67 LYS N N 67 119.380 119.380 118.850 0.530 19614 627 1 2 . 1 1 67 67 LYS HA H 67 4.278 4.278 4.117 0.161 19614 628 1 2 . 1 1 67 67 LYS C C 67 176.163 176.163 176.675 -0.512 19614 629 1 2 . 1 1 67 67 LYS CA C 67 55.658 55.658 57.823 -2.165 19614 630 1 2 . 1 1 67 67 LYS CB C 67 33.462 33.462 33.126 0.336 19614 631 1 2 . 1 1 67 67 LYS H H 67 8.249 8.249 8.283 -0.034 19614 632 1 2 . 1 1 68 68 ASP N N 68 120.812 120.812 113.752 7.060 19614 633 1 2 . 1 1 68 68 ASP HA H 68 4.601 4.601 4.668 -0.067 19614 634 1 2 . 1 1 68 68 ASP C C 68 177.001 177.001 175.101 1.900 19614 635 1 2 . 1 1 68 68 ASP CA C 68 54.192 54.192 53.862 0.330 19614 636 1 2 . 1 1 68 68 ASP CB C 68 41.383 41.383 42.910 -1.527 19614 637 1 2 . 1 1 68 68 ASP H H 68 8.350 8.350 7.620 0.730 19614 638 1 2 . 1 1 69 69 SER N N 69 119.061 119.061 116.689 2.372 19614 639 1 2 . 1 1 69 69 SER HA H 69 4.199 4.199 4.533 -0.334 19614 640 1 2 . 1 1 69 69 SER C C 69 175.643 175.643 176.134 -0.491 19614 641 1 2 . 1 1 69 69 SER CA C 69 59.636 59.636 59.628 0.008 19614 642 1 2 . 1 1 69 69 SER CB C 69 63.237 63.237 63.846 -0.609 19614 643 1 2 . 1 1 69 69 SER H H 69 8.608 8.608 8.636 -0.028 19614 644 1 2 . 1 1 70 70 SER N N 70 118.325 118.325 117.621 0.704 19614 645 1 2 . 1 1 70 70 SER HA H 70 4.335 4.335 4.255 0.080 19614 646 1 2 . 1 1 70 70 SER C C 70 175.275 175.275 176.116 -0.841 19614 647 1 2 . 1 1 70 70 SER CA C 70 59.700 59.700 61.886 -2.186 19614 648 1 2 . 1 1 70 70 SER CB C 70 63.243 63.243 63.402 -0.159 19614 649 1 2 . 1 1 70 70 SER H H 70 8.514 8.514 8.818 -0.304 19614 650 1 2 . 1 1 71 71 ARG N N 71 121.317 121.317 119.832 1.485 19614 651 1 2 . 1 1 71 71 ARG HA H 71 4.231 4.231 4.290 -0.059 19614 652 1 2 . 1 1 71 71 ARG C C 71 176.223 176.223 178.207 -1.984 19614 653 1 2 . 1 1 71 71 ARG CA C 71 56.368 56.368 57.436 -1.068 19614 654 1 2 . 1 1 71 71 ARG CB C 71 30.148 30.148 29.240 0.908 19614 655 1 2 . 1 1 71 71 ARG H H 71 7.965 7.965 8.111 -0.146 19614 656 1 2 . 1 1 72 72 HIS N N 72 118.894 118.894 120.988 -2.094 19614 657 1 2 . 1 1 72 72 HIS HA H 72 4.663 4.663 4.337 0.326 19614 658 1 2 . 1 1 72 72 HIS C C 72 175.122 175.122 176.458 -1.336 19614 659 1 2 . 1 1 72 72 HIS CA C 72 55.935 55.935 58.821 -2.886 19614 660 1 2 . 1 1 72 72 HIS CB C 72 29.974 29.974 29.910 0.064 19614 661 1 2 . 1 1 72 72 HIS H H 72 8.036 8.036 7.830 0.206 19614 662 1 2 . 1 1 73 73 SER N N 73 116.302 116.302 113.580 2.722 19614 663 1 2 . 1 1 73 73 SER HA H 73 4.313 4.313 4.407 -0.094 19614 664 1 2 . 1 1 73 73 SER C C 73 174.559 174.559 174.579 -0.020 19614 665 1 2 . 1 1 73 73 SER CA C 73 59.297 59.297 59.734 -0.438 19614 666 1 2 . 1 1 73 73 SER CB C 73 63.522 63.522 62.191 1.331 19614 667 1 2 . 1 1 73 73 SER H H 73 8.029 8.029 8.198 -0.169 19614 668 1 2 . 1 1 74 74 LYS N N 74 122.545 122.545 121.004 1.541 19614 669 1 2 . 1 1 74 74 LYS HA H 74 4.336 4.336 4.506 -0.170 19614 670 1 2 . 1 1 74 74 LYS C C 74 175.929 175.929 175.259 0.670 19614 671 1 2 . 1 1 74 74 LYS CA C 74 55.918 55.918 54.920 0.998 19614 672 1 2 . 1 1 74 74 LYS CB C 74 32.143 32.143 33.032 -0.889 19614 673 1 2 . 1 1 74 74 LYS H H 74 8.394 8.394 7.524 0.870 19614 674 1 2 . 1 1 75 75 LEU N N 75 123.393 123.393 122.822 0.571 19614 675 1 2 . 1 1 75 75 LEU HA H 75 4.402 4.402 4.271 0.131 19614 676 1 2 . 1 1 75 75 LEU C C 75 176.575 176.575 176.772 -0.197 19614 677 1 2 . 1 1 75 75 LEU CA C 75 54.697 54.697 55.210 -0.513 19614 678 1 2 . 1 1 75 75 LEU CB C 75 43.481 43.481 41.867 1.614 19614 679 1 2 . 1 1 75 75 LEU H H 75 7.943 7.943 7.655 0.288 19614 680 1 2 . 1 1 76 76 GLU N N 76 123.357 123.357 124.663 -1.306 19614 681 1 2 . 1 1 76 76 GLU HA H 76 4.551 4.551 4.410 0.141 19614 682 1 2 . 1 1 76 76 GLU C C 76 177.445 177.445 176.797 0.648 19614 683 1 2 . 1 1 76 76 GLU CA C 76 54.962 54.962 55.351 -0.389 19614 684 1 2 . 1 1 76 76 GLU CB C 76 31.245 31.245 30.849 0.396 19614 685 1 2 . 1 1 76 76 GLU H H 76 9.136 9.136 8.171 0.965 19614 686 1 2 . 1 1 77 77 LYS N N 77 122.655 122.655 122.208 0.447 19614 687 1 2 . 1 1 77 77 LYS HA H 77 3.830 3.830 3.956 -0.126 19614 688 1 2 . 1 1 77 77 LYS C C 77 177.908 177.908 178.458 -0.550 19614 689 1 2 . 1 1 77 77 LYS CA C 77 61.105 61.105 60.268 0.837 19614 690 1 2 . 1 1 77 77 LYS CB C 77 32.423 32.423 32.266 0.157 19614 691 1 2 . 1 1 77 77 LYS H H 77 8.858 8.858 8.773 0.085 19614 692 1 2 . 1 1 78 78 ALA N N 78 118.008 118.008 118.852 -0.844 19614 693 1 2 . 1 1 78 78 ALA HA H 78 3.892 3.892 4.189 -0.297 19614 694 1 2 . 1 1 78 78 ALA C C 78 179.758 179.758 179.705 0.053 19614 695 1 2 . 1 1 78 78 ALA CA C 78 55.456 55.456 54.722 0.734 19614 696 1 2 . 1 1 78 78 ALA CB C 78 17.839 17.839 17.912 -0.073 19614 697 1 2 . 1 1 78 78 ALA H H 78 9.131 9.131 8.522 0.609 19614 698 1 2 . 1 1 79 79 ASP N N 79 114.744 114.744 120.106 -5.362 19614 699 1 2 . 1 1 79 79 ASP HA H 79 4.346 4.346 4.713 -0.367 19614 700 1 2 . 1 1 79 79 ASP C C 79 178.104 178.104 178.633 -0.529 19614 701 1 2 . 1 1 79 79 ASP CA C 79 57.088 57.088 57.369 -0.281 19614 702 1 2 . 1 1 79 79 ASP CB C 79 41.728 41.728 41.252 0.476 19614 703 1 2 . 1 1 79 79 ASP H H 79 7.052 7.052 7.819 -0.767 19614 704 1 2 . 1 1 80 80 ILE N N 80 119.398 119.398 120.990 -1.592 19614 705 1 2 . 1 1 80 80 ILE HA H 80 3.592 3.592 3.676 -0.084 19614 706 1 2 . 1 1 80 80 ILE C C 80 179.567 179.567 178.263 1.304 19614 707 1 2 . 1 1 80 80 ILE CA C 80 64.201 64.201 65.201 -1.000 19614 708 1 2 . 1 1 80 80 ILE CB C 80 37.514 37.514 37.974 -0.459 19614 709 1 2 . 1 1 80 80 ILE H H 80 7.983 7.983 8.220 -0.237 19614 710 1 2 . 1 1 81 81 LEU N N 81 120.930 120.930 120.235 0.695 19614 711 1 2 . 1 1 81 81 LEU HA H 81 3.931 3.931 3.963 -0.032 19614 712 1 2 . 1 1 81 81 LEU C C 81 178.312 178.312 178.803 -0.491 19614 713 1 2 . 1 1 81 81 LEU CA C 81 58.588 58.588 58.841 -0.253 19614 714 1 2 . 1 1 81 81 LEU CB C 81 41.727 41.727 41.263 0.464 19614 715 1 2 . 1 1 81 81 LEU H H 81 8.171 8.171 8.279 -0.108 19614 716 1 2 . 1 1 82 82 GLU N N 82 119.314 119.314 119.039 0.275 19614 717 1 2 . 1 1 82 82 GLU HA H 82 3.917 3.917 3.958 -0.041 19614 718 1 2 . 1 1 82 82 GLU C C 82 180.151 180.151 178.954 1.197 19614 719 1 2 . 1 1 82 82 GLU CA C 82 59.864 59.864 59.013 0.851 19614 720 1 2 . 1 1 82 82 GLU CB C 82 29.364 29.364 29.248 0.116 19614 721 1 2 . 1 1 82 82 GLU H H 82 7.984 7.984 7.880 0.104 19614 722 1 2 . 1 1 83 83 MET N N 83 118.669 118.669 120.638 -1.969 19614 723 1 2 . 1 1 83 83 MET HA H 83 4.033 4.033 4.275 -0.242 19614 724 1 2 . 1 1 83 83 MET C C 83 178.488 178.488 178.188 0.300 19614 725 1 2 . 1 1 83 83 MET CA C 83 59.083 59.083 57.609 1.474 19614 726 1 2 . 1 1 83 83 MET CB C 83 33.883 33.883 32.318 1.565 19614 727 1 2 . 1 1 83 83 MET H H 83 8.639 8.639 7.933 0.706 19614 728 1 2 . 1 1 84 84 THR N N 84 118.733 118.733 117.302 1.431 19614 729 1 2 . 1 1 84 84 THR HA H 84 3.853 3.853 4.098 -0.245 19614 730 1 2 . 1 1 84 84 THR C C 84 175.659 175.659 176.626 -0.967 19614 731 1 2 . 1 1 84 84 THR CA C 84 68.029 68.029 66.903 1.126 19614 732 1 2 . 1 1 84 84 THR CB C 84 67.595 67.595 68.779 -1.184 19614 733 1 2 . 1 1 84 84 THR H H 84 7.946 7.946 7.730 0.216 19614 734 1 2 . 1 1 85 85 VAL N N 85 122.083 122.083 122.169 -0.086 19614 735 1 2 . 1 1 85 85 VAL HA H 85 3.311 3.311 3.582 -0.271 19614 736 1 2 . 1 1 85 85 VAL C C 85 177.078 177.078 177.547 -0.469 19614 737 1 2 . 1 1 85 85 VAL CA C 85 67.381 67.381 66.723 0.658 19614 738 1 2 . 1 1 85 85 VAL CB C 85 32.168 32.168 31.465 0.703 19614 739 1 2 . 1 1 85 85 VAL H H 85 8.089 8.089 7.577 0.512 19614 740 1 2 . 1 1 86 86 LYS N N 86 117.409 117.409 118.604 -1.195 19614 741 1 2 . 1 1 86 86 LYS HA H 86 3.835 3.835 3.940 -0.105 19614 742 1 2 . 1 1 86 86 LYS C C 86 178.617 178.617 178.599 0.018 19614 743 1 2 . 1 1 86 86 LYS CA C 86 60.014 60.014 59.778 0.236 19614 744 1 2 . 1 1 86 86 LYS CB C 86 32.336 32.336 32.029 0.307 19614 745 1 2 . 1 1 86 86 LYS H H 86 7.785 7.785 8.311 -0.526 19614 746 1 2 . 1 1 87 87 HIS N N 87 118.731 118.731 119.712 -0.981 19614 747 1 2 . 1 1 87 87 HIS HA H 87 4.513 4.513 4.264 0.249 19614 748 1 2 . 1 1 87 87 HIS C C 87 177.356 177.356 177.073 0.283 19614 749 1 2 . 1 1 87 87 HIS CA C 87 59.368 59.368 58.814 0.554 19614 750 1 2 . 1 1 87 87 HIS CB C 87 32.047 32.047 30.287 1.760 19614 751 1 2 . 1 1 87 87 HIS H H 87 8.055 8.055 8.320 -0.265 19614 752 1 2 . 1 1 88 88 LEU N N 88 117.189 117.189 120.168 -2.979 19614 753 1 2 . 1 1 88 88 LEU C C 88 180.158 180.158 178.719 1.439 19614 754 1 2 . 1 1 88 88 LEU CA C 88 57.927 57.927 57.832 0.095 19614 755 1 2 . 1 1 88 88 LEU CB C 88 41.748 41.748 41.857 -0.109 19614 756 1 2 . 1 1 88 88 LEU H H 88 8.450 8.450 7.846 0.604 19614 757 1 2 . 1 1 89 89 ARG N N 89 119.542 119.542 119.121 0.421 19614 758 1 2 . 1 1 89 89 ARG HA H 89 3.901 3.901 3.972 -0.071 19614 759 1 2 . 1 1 89 89 ARG C C 89 178.875 178.875 178.899 -0.024 19614 760 1 2 . 1 1 89 89 ARG CA C 89 59.667 59.667 58.262 1.405 19614 761 1 2 . 1 1 89 89 ARG CB C 89 29.542 29.542 28.975 0.567 19614 762 1 2 . 1 1 89 89 ARG H H 89 8.616 8.616 7.813 0.803 19614 763 1 2 . 1 1 90 90 ASN N N 90 118.676 118.676 118.488 0.188 19614 764 1 2 . 1 1 90 90 ASN HA H 90 4.478 4.478 4.499 -0.021 19614 765 1 2 . 1 1 90 90 ASN C C 90 177.824 177.824 177.741 0.083 19614 766 1 2 . 1 1 90 90 ASN CA C 90 55.393 55.393 55.603 -0.210 19614 767 1 2 . 1 1 90 90 ASN CB C 90 37.874 37.874 38.134 -0.260 19614 768 1 2 . 1 1 90 90 ASN H H 90 7.935 7.935 8.202 -0.267 19614 769 1 2 . 1 1 91 91 LEU N N 91 119.885 119.885 120.566 -0.681 19614 770 1 2 . 1 1 91 91 LEU HA H 91 4.045 4.045 4.058 -0.013 19614 771 1 2 . 1 1 91 91 LEU C C 91 178.707 178.707 179.293 -0.586 19614 772 1 2 . 1 1 91 91 LEU CA C 91 56.705 56.705 57.858 -1.153 19614 773 1 2 . 1 1 91 91 LEU CB C 91 41.918 41.918 41.824 0.094 19614 774 1 2 . 1 1 91 91 LEU H H 91 7.890 7.890 8.239 -0.349 19614 775 1 2 . 1 1 92 92 GLN N N 92 118.288 118.288 118.683 -0.395 19614 776 1 2 . 1 1 92 92 GLN HA H 92 4.149 4.149 4.068 0.081 19614 777 1 2 . 1 1 92 92 GLN C C 92 176.562 176.562 178.400 -1.838 19614 778 1 2 . 1 1 92 92 GLN CA C 92 57.055 57.055 58.551 -1.496 19614 779 1 2 . 1 1 92 92 GLN CB C 92 28.937 28.937 28.396 0.541 19614 780 1 2 . 1 1 92 92 GLN H H 92 7.683 7.683 8.308 -0.625 19614 781 1 2 . 1 1 93 93 ARG N N 93 119.664 119.664 116.216 3.448 19614 782 1 2 . 1 1 93 93 ARG HA H 93 4.238 4.238 4.455 -0.217 19614 783 1 2 . 1 1 93 93 ARG C C 93 175.928 175.928 176.420 -0.492 19614 784 1 2 . 1 1 93 93 ARG CA C 93 56.467 56.467 56.003 0.464 19614 785 1 2 . 1 1 93 93 ARG CB C 93 30.459 30.459 29.178 1.281 19614 786 1 2 . 1 1 93 93 ARG H H 93 7.786 7.786 7.933 -0.147 19614 787 1 2 . 1 1 94 94 ALA N N 94 124.562 124.562 121.448 3.114 19614 788 1 2 . 1 1 94 94 ALA HA H 94 4.308 4.308 4.478 -0.170 19614 789 1 2 . 1 1 94 94 ALA C C 94 176.753 176.753 176.674 0.079 19614 790 1 2 . 1 1 94 94 ALA CA C 94 52.465 52.465 52.136 0.329 19614 791 1 2 . 1 1 94 94 ALA CB C 94 19.023 19.023 19.334 -0.311 19614 792 1 2 . 1 1 94 94 ALA H H 94 8.017 8.017 7.996 0.021 19614 793 1 3 . 1 1 27 27 LYS HA H 27 4.626 4.626 4.196 0.430 19614 794 1 3 . 1 1 27 27 LYS CA C 27 54.410 54.410 56.192 -1.782 19614 795 1 3 . 1 1 27 27 LYS CB C 27 32.346 32.346 31.674 0.672 19614 796 1 3 . 1 1 28 28 PRO HA H 28 4.402 4.402 4.438 -0.036 19614 797 1 3 . 1 1 28 28 PRO C C 28 176.815 176.815 175.968 0.847 19614 798 1 3 . 1 1 28 28 PRO CA C 28 62.876 62.876 62.691 0.185 19614 799 1 3 . 1 1 28 28 PRO CB C 28 32.162 32.162 30.503 1.659 19614 800 1 3 . 1 1 29 29 LYS N N 29 122.449 122.449 120.270 2.179 19614 801 1 3 . 1 1 29 29 LYS HA H 29 4.297 4.297 4.137 0.160 19614 802 1 3 . 1 1 29 29 LYS C C 29 176.961 176.961 176.975 -0.014 19614 803 1 3 . 1 1 29 29 LYS CA C 29 56.463 56.463 58.319 -1.856 19614 804 1 3 . 1 1 29 29 LYS CB C 29 32.816 32.816 33.143 -0.327 19614 805 1 3 . 1 1 29 29 LYS H H 29 8.586 8.586 8.218 0.368 19614 806 1 3 . 1 1 30 30 THR N N 30 115.695 115.695 114.580 1.115 19614 807 1 3 . 1 1 30 30 THR HA H 30 4.293 4.293 4.642 -0.349 19614 808 1 3 . 1 1 30 30 THR C C 30 174.354 174.354 173.370 0.984 19614 809 1 3 . 1 1 30 30 THR CA C 30 61.555 61.555 62.205 -0.650 19614 810 1 3 . 1 1 30 30 THR CB C 30 69.949 69.949 69.032 0.916 19614 811 1 3 . 1 1 30 30 THR H H 30 8.219 8.219 8.044 0.175 19614 812 1 3 . 1 1 31 31 ALA N N 31 125.923 125.923 129.695 -3.772 19614 813 1 3 . 1 1 31 31 ALA HA H 31 4.312 4.312 4.596 -0.284 19614 814 1 3 . 1 1 31 31 ALA C C 31 178.014 178.014 175.999 2.015 19614 815 1 3 . 1 1 31 31 ALA CA C 31 52.781 52.781 53.736 -0.955 19614 816 1 3 . 1 1 31 31 ALA CB C 31 19.125 19.125 20.597 -1.472 19614 817 1 3 . 1 1 31 31 ALA H H 31 8.505 8.505 9.421 -0.916 19614 818 1 3 . 1 1 32 32 SER N N 32 115.249 115.249 113.316 1.933 19614 819 1 3 . 1 1 32 32 SER HA H 32 4.338 4.338 4.510 -0.172 19614 820 1 3 . 1 1 32 32 SER C C 32 174.783 174.783 175.864 -1.081 19614 821 1 3 . 1 1 32 32 SER CA C 32 58.633 58.633 59.109 -0.476 19614 822 1 3 . 1 1 32 32 SER CB C 32 63.475 63.475 63.768 -0.293 19614 823 1 3 . 1 1 32 32 SER H H 32 8.365 8.365 8.470 -0.105 19614 824 1 3 . 1 1 33 33 GLU N N 33 122.748 122.748 121.879 0.869 19614 825 1 3 . 1 1 33 33 GLU HA H 33 4.205 4.205 4.192 0.013 19614 826 1 3 . 1 1 33 33 GLU C C 33 176.411 176.411 176.476 -0.065 19614 827 1 3 . 1 1 33 33 GLU CA C 33 56.678 56.678 58.341 -1.663 19614 828 1 3 . 1 1 33 33 GLU CB C 33 30.241 30.241 30.081 0.160 19614 829 1 3 . 1 1 33 33 GLU H H 33 8.390 8.390 8.726 -0.336 19614 830 1 3 . 1 1 34 34 HIS N N 34 120.453 120.453 111.683 8.770 19614 831 1 3 . 1 1 34 34 HIS HA H 34 4.605 4.605 4.755 -0.150 19614 832 1 3 . 1 1 34 34 HIS C C 34 175.167 175.167 173.888 1.279 19614 833 1 3 . 1 1 34 34 HIS CA C 34 56.035 56.035 54.936 1.099 19614 834 1 3 . 1 1 34 34 HIS CB C 34 29.938 29.938 30.625 -0.687 19614 835 1 3 . 1 1 34 34 HIS H H 34 8.431 8.431 7.656 0.775 19614 836 1 3 . 1 1 35 35 ARG N N 35 122.797 122.797 125.917 -3.120 19614 837 1 3 . 1 1 35 35 ARG HA H 35 4.261 4.261 4.453 -0.192 19614 838 1 3 . 1 1 35 35 ARG C C 35 176.411 176.411 176.062 0.349 19614 839 1 3 . 1 1 35 35 ARG CA C 35 56.306 56.306 55.848 0.458 19614 840 1 3 . 1 1 35 35 ARG CB C 35 30.587 30.587 29.919 0.668 19614 841 1 3 . 1 1 35 35 ARG H H 35 8.419 8.419 8.840 -0.421 19614 842 1 3 . 1 1 36 36 LYS N N 36 122.974 122.974 122.701 0.273 19614 843 1 3 . 1 1 36 36 LYS HA H 36 4.288 4.288 4.332 -0.044 19614 844 1 3 . 1 1 36 36 LYS C C 36 176.738 176.738 175.022 1.716 19614 845 1 3 . 1 1 36 36 LYS CA C 36 56.514 56.514 56.790 -0.276 19614 846 1 3 . 1 1 36 36 LYS CB C 36 32.857 32.857 33.199 -0.342 19614 847 1 3 . 1 1 36 36 LYS H H 36 8.482 8.482 7.986 0.496 19614 848 1 3 . 1 1 37 37 SER N N 37 117.137 117.137 119.824 -2.687 19614 849 1 3 . 1 1 37 37 SER HA H 37 4.469 4.469 4.271 0.198 19614 850 1 3 . 1 1 37 37 SER C C 37 174.495 174.495 174.593 -0.098 19614 851 1 3 . 1 1 37 37 SER CA C 37 58.115 58.115 58.862 -0.747 19614 852 1 3 . 1 1 37 37 SER CB C 37 63.627 63.627 62.667 0.959 19614 853 1 3 . 1 1 37 37 SER H H 37 8.410 8.410 8.822 -0.412 19614 854 1 3 . 1 1 38 38 SER N N 38 118.622 118.622 115.535 3.087 19614 855 1 3 . 1 1 38 38 SER HA H 38 4.467 4.467 4.226 0.241 19614 856 1 3 . 1 1 38 38 SER C C 38 174.332 174.332 173.829 0.503 19614 857 1 3 . 1 1 38 38 SER CA C 38 58.187 58.187 58.867 -0.680 19614 858 1 3 . 1 1 38 38 SER CB C 38 63.703 63.703 61.919 1.784 19614 859 1 3 . 1 1 38 38 SER H H 38 8.456 8.456 8.342 0.114 19614 860 1 3 . 1 1 39 39 LYS N N 39 124.176 124.176 122.059 2.117 19614 861 1 3 . 1 1 39 39 LYS HA H 39 4.478 4.478 4.785 -0.307 19614 862 1 3 . 1 1 39 39 LYS C C 39 174.904 174.904 175.304 -0.400 19614 863 1 3 . 1 1 39 39 LYS CA C 39 56.707 56.707 53.296 3.411 19614 864 1 3 . 1 1 39 39 LYS CB C 39 31.595 31.595 33.345 -1.750 19614 865 1 3 . 1 1 39 39 LYS H H 39 8.489 8.489 7.720 0.769 19614 866 1 3 . 1 1 40 40 PRO HA H 40 4.401 4.401 4.573 -0.172 19614 867 1 3 . 1 1 40 40 PRO C C 40 178.173 178.173 179.005 -0.832 19614 868 1 3 . 1 1 40 40 PRO CA C 40 64.315 64.315 65.468 -1.153 19614 869 1 3 . 1 1 40 40 PRO CB C 40 31.675 31.675 31.998 -0.323 19614 870 1 3 . 1 1 41 41 ILE N N 41 120.414 120.414 117.788 2.626 19614 871 1 3 . 1 1 41 41 ILE HA H 41 3.967 3.967 3.926 0.041 19614 872 1 3 . 1 1 41 41 ILE C C 41 177.393 177.393 177.429 -0.036 19614 873 1 3 . 1 1 41 41 ILE CA C 41 62.575 62.575 64.433 -1.857 19614 874 1 3 . 1 1 41 41 ILE CB C 41 37.900 37.900 37.813 0.087 19614 875 1 3 . 1 1 41 41 ILE H H 41 8.011 8.011 7.872 0.139 19614 876 1 3 . 1 1 42 42 MET N N 42 122.411 122.411 118.180 4.231 19614 877 1 3 . 1 1 42 42 MET HA H 42 4.330 4.330 4.230 0.100 19614 878 1 3 . 1 1 42 42 MET C C 42 178.050 178.050 178.645 -0.595 19614 879 1 3 . 1 1 42 42 MET CA C 42 56.959 56.959 57.795 -0.836 19614 880 1 3 . 1 1 42 42 MET CB C 42 32.024 32.024 31.108 0.916 19614 881 1 3 . 1 1 42 42 MET H H 42 8.335 8.335 7.969 0.366 19614 882 1 3 . 1 1 43 43 GLU N N 43 121.832 121.832 118.490 3.342 19614 883 1 3 . 1 1 43 43 GLU HA H 43 4.193 4.193 3.967 0.226 19614 884 1 3 . 1 1 43 43 GLU C C 43 177.835 177.835 178.671 -0.836 19614 885 1 3 . 1 1 43 43 GLU CA C 43 58.157 58.157 59.489 -1.333 19614 886 1 3 . 1 1 43 43 GLU CB C 43 29.543 29.543 28.837 0.706 19614 887 1 3 . 1 1 43 43 GLU H H 43 8.397 8.397 8.911 -0.514 19614 888 1 3 . 1 1 44 44 LYS N N 44 121.347 121.347 120.906 0.441 19614 889 1 3 . 1 1 44 44 LYS HA H 44 4.083 4.083 4.096 -0.013 19614 890 1 3 . 1 1 44 44 LYS C C 44 178.745 178.745 179.023 -0.278 19614 891 1 3 . 1 1 44 44 LYS CA C 44 58.846 58.846 58.496 0.350 19614 892 1 3 . 1 1 44 44 LYS CB C 44 32.493 32.493 32.266 0.227 19614 893 1 3 . 1 1 44 44 LYS H H 44 8.124 8.124 7.630 0.494 19614 894 1 3 . 1 1 45 45 ARG N N 45 120.603 120.603 119.103 1.500 19614 895 1 3 . 1 1 45 45 ARG HA H 45 4.247 4.247 3.990 0.257 19614 896 1 3 . 1 1 45 45 ARG C C 45 178.025 178.025 178.737 -0.712 19614 897 1 3 . 1 1 45 45 ARG CA C 45 58.201 58.201 59.715 -1.514 19614 898 1 3 . 1 1 45 45 ARG CB C 45 29.888 29.888 30.116 -0.228 19614 899 1 3 . 1 1 45 45 ARG H H 45 8.219 8.219 8.035 0.184 19614 900 1 3 . 1 1 46 46 ARG N N 46 121.714 121.714 119.706 2.008 19614 901 1 3 . 1 1 46 46 ARG HA H 46 3.908 3.908 3.992 -0.084 19614 902 1 3 . 1 1 46 46 ARG C C 46 177.855 177.855 178.447 -0.592 19614 903 1 3 . 1 1 46 46 ARG CA C 46 59.726 59.726 59.495 0.231 19614 904 1 3 . 1 1 46 46 ARG CB C 46 30.215 30.215 30.175 0.040 19614 905 1 3 . 1 1 46 46 ARG H H 46 8.245 8.245 8.285 -0.040 19614 906 1 3 . 1 1 47 47 ARG N N 47 118.469 118.469 119.476 -1.007 19614 907 1 3 . 1 1 47 47 ARG HA H 47 3.961 3.961 4.047 -0.086 19614 908 1 3 . 1 1 47 47 ARG C C 47 177.899 177.899 178.280 -0.381 19614 909 1 3 . 1 1 47 47 ARG CA C 47 58.541 58.541 59.215 -0.674 19614 910 1 3 . 1 1 47 47 ARG CB C 47 29.704 29.704 30.102 -0.398 19614 911 1 3 . 1 1 47 47 ARG H H 47 8.233 8.233 8.390 -0.157 19614 912 1 3 . 1 1 48 48 ALA N N 48 121.720 121.720 122.294 -0.574 19614 913 1 3 . 1 1 48 48 ALA HA H 48 4.205 4.205 4.006 0.199 19614 914 1 3 . 1 1 48 48 ALA C C 48 180.284 180.284 179.573 0.711 19614 915 1 3 . 1 1 48 48 ALA CA C 48 54.815 54.815 55.289 -0.475 19614 916 1 3 . 1 1 48 48 ALA CB C 48 18.025 18.025 18.334 -0.309 19614 917 1 3 . 1 1 48 48 ALA H H 48 7.962 7.962 8.436 -0.474 19614 918 1 3 . 1 1 49 49 ARG N N 49 119.603 119.603 118.092 1.511 19614 919 1 3 . 1 1 49 49 ARG C C 49 179.589 179.589 179.000 0.589 19614 920 1 3 . 1 1 49 49 ARG CA C 49 59.291 59.291 58.054 1.237 19614 921 1 3 . 1 1 49 49 ARG CB C 49 30.993 30.993 29.545 1.448 19614 922 1 3 . 1 1 49 49 ARG H H 49 8.103 8.103 7.878 0.225 19614 923 1 3 . 1 1 50 50 ILE N N 50 121.545 121.545 121.995 -0.450 19614 924 1 3 . 1 1 50 50 ILE HA H 50 3.662 3.662 3.541 0.121 19614 925 1 3 . 1 1 50 50 ILE C C 50 177.372 177.372 177.718 -0.346 19614 926 1 3 . 1 1 50 50 ILE CA C 50 65.302 65.302 65.704 -0.402 19614 927 1 3 . 1 1 50 50 ILE CB C 50 38.216 38.216 37.355 0.861 19614 928 1 3 . 1 1 50 50 ILE H H 50 8.145 8.145 8.499 -0.354 19614 929 1 3 . 1 1 51 51 ASN N N 51 117.894 117.894 118.009 -0.115 19614 930 1 3 . 1 1 51 51 ASN HA H 51 4.407 4.407 4.393 0.014 19614 931 1 3 . 1 1 51 51 ASN C C 51 178.725 178.725 178.145 0.580 19614 932 1 3 . 1 1 51 51 ASN CA C 51 56.205 56.205 56.619 -0.414 19614 933 1 3 . 1 1 51 51 ASN CB C 51 37.594 37.594 38.187 -0.593 19614 934 1 3 . 1 1 51 51 ASN H H 51 8.431 8.431 8.328 0.103 19614 935 1 3 . 1 1 52 52 GLU N N 52 121.612 121.612 120.280 1.332 19614 936 1 3 . 1 1 52 52 GLU HA H 52 4.205 4.205 4.163 0.042 19614 937 1 3 . 1 1 52 52 GLU C C 52 179.243 179.243 179.295 -0.052 19614 938 1 3 . 1 1 52 52 GLU CA C 52 59.291 59.291 58.988 0.303 19614 939 1 3 . 1 1 52 52 GLU CB C 52 29.101 29.101 29.115 -0.014 19614 940 1 3 . 1 1 52 52 GLU H H 52 8.299 8.299 8.619 -0.320 19614 941 1 3 . 1 1 53 53 SER N N 53 116.604 116.604 116.935 -0.331 19614 942 1 3 . 1 1 53 53 SER C C 53 176.283 176.283 176.616 -0.333 19614 943 1 3 . 1 1 53 53 SER CA C 53 63.032 63.032 61.981 1.051 19614 944 1 3 . 1 1 53 53 SER H H 53 8.254 8.254 8.161 0.093 19614 945 1 3 . 1 1 54 54 LEU N N 54 121.925 121.925 122.957 -1.032 19614 946 1 3 . 1 1 54 54 LEU HA H 54 3.962 3.962 3.998 -0.036 19614 947 1 3 . 1 1 54 54 LEU C C 54 178.897 178.897 177.941 0.956 19614 948 1 3 . 1 1 54 54 LEU CA C 54 58.116 58.116 58.048 0.068 19614 949 1 3 . 1 1 54 54 LEU CB C 54 41.576 41.576 41.915 -0.339 19614 950 1 3 . 1 1 54 54 LEU H H 54 8.693 8.693 8.347 0.346 19614 951 1 3 . 1 1 55 55 SER N N 55 114.515 114.515 114.507 0.008 19614 952 1 3 . 1 1 55 55 SER HA H 55 4.181 4.181 4.034 0.147 19614 953 1 3 . 1 1 55 55 SER C C 55 177.381 177.381 176.677 0.704 19614 954 1 3 . 1 1 55 55 SER CA C 55 61.568 61.568 62.140 -0.572 19614 955 1 3 . 1 1 55 55 SER CB C 55 62.527 62.527 63.091 -0.564 19614 956 1 3 . 1 1 55 55 SER H H 55 7.823 7.823 8.345 -0.522 19614 957 1 3 . 1 1 56 56 GLN N N 56 120.605 120.605 120.120 0.485 19614 958 1 3 . 1 1 56 56 GLN HA H 56 4.087 4.087 4.153 -0.066 19614 959 1 3 . 1 1 56 56 GLN C C 56 178.904 178.904 178.247 0.657 19614 960 1 3 . 1 1 56 56 GLN CA C 56 58.679 58.679 58.219 0.460 19614 961 1 3 . 1 1 56 56 GLN CB C 56 28.669 28.669 28.327 0.342 19614 962 1 3 . 1 1 56 56 GLN H H 56 7.886 7.886 7.691 0.195 19614 963 1 3 . 1 1 57 57 LEU N N 57 120.488 120.488 123.233 -2.745 19614 964 1 3 . 1 1 57 57 LEU HA H 57 3.953 3.953 3.915 0.038 19614 965 1 3 . 1 1 57 57 LEU C C 57 177.406 177.406 178.492 -1.086 19614 966 1 3 . 1 1 57 57 LEU CA C 57 57.957 57.957 58.407 -0.451 19614 967 1 3 . 1 1 57 57 LEU CB C 57 41.486 41.486 41.810 -0.324 19614 968 1 3 . 1 1 57 57 LEU H H 57 8.845 8.845 8.328 0.517 19614 969 1 3 . 1 1 58 58 LYS N N 58 118.053 118.053 118.507 -0.454 19614 970 1 3 . 1 1 58 58 LYS C C 58 176.891 176.891 179.080 -2.189 19614 971 1 3 . 1 1 58 58 LYS CA C 58 60.535 60.535 59.196 1.339 19614 972 1 3 . 1 1 58 58 LYS CB C 58 31.903 31.903 31.950 -0.047 19614 973 1 3 . 1 1 58 58 LYS H H 58 8.145 8.145 7.915 0.230 19614 974 1 3 . 1 1 59 59 THR N N 59 112.948 112.948 117.390 -4.442 19614 975 1 3 . 1 1 59 59 THR HA H 59 3.812 3.812 4.061 -0.249 19614 976 1 3 . 1 1 59 59 THR C C 59 176.273 176.273 176.595 -0.322 19614 977 1 3 . 1 1 59 59 THR CA C 59 66.367 66.367 66.955 -0.588 19614 978 1 3 . 1 1 59 59 THR CB C 59 68.902 68.902 68.594 0.308 19614 979 1 3 . 1 1 59 59 THR H H 59 7.393 7.393 8.058 -0.665 19614 980 1 3 . 1 1 60 60 LEU N N 60 120.435 120.435 121.680 -1.245 19614 981 1 3 . 1 1 60 60 LEU HA H 60 4.066 4.066 4.039 0.027 19614 982 1 3 . 1 1 60 60 LEU C C 60 179.994 179.994 179.431 0.563 19614 983 1 3 . 1 1 60 60 LEU CA C 60 58.096 58.096 57.856 0.240 19614 984 1 3 . 1 1 60 60 LEU CB C 60 43.107 43.107 40.824 2.283 19614 985 1 3 . 1 1 60 60 LEU H H 60 8.005 8.005 8.498 -0.493 19614 986 1 3 . 1 1 61 61 ILE N N 61 120.041 120.041 119.045 0.996 19614 987 1 3 . 1 1 61 61 ILE HA H 61 3.934 3.934 3.607 0.327 19614 988 1 3 . 1 1 61 61 ILE C C 61 176.957 176.957 177.902 -0.945 19614 989 1 3 . 1 1 61 61 ILE CA C 61 60.979 60.979 63.871 -2.892 19614 990 1 3 . 1 1 61 61 ILE CB C 61 37.229 37.229 36.837 0.392 19614 991 1 3 . 1 1 61 61 ILE H H 61 8.847 8.847 8.030 0.817 19614 992 1 3 . 1 1 62 62 LEU N N 62 121.236 121.236 121.660 -0.424 19614 993 1 3 . 1 1 62 62 LEU HA H 62 3.909 3.909 3.889 0.020 19614 994 1 3 . 1 1 62 62 LEU C C 62 179.562 179.562 179.061 0.501 19614 995 1 3 . 1 1 62 62 LEU CA C 62 58.035 58.035 58.063 -0.028 19614 996 1 3 . 1 1 62 62 LEU CB C 62 40.219 40.219 40.724 -0.505 19614 997 1 3 . 1 1 62 62 LEU H H 62 7.944 7.944 8.088 -0.144 19614 998 1 3 . 1 1 63 63 ASP N N 63 117.983 117.983 118.366 -0.383 19614 999 1 3 . 1 1 63 63 ASP HA H 63 4.458 4.458 4.382 0.076 19614 1000 1 3 . 1 1 63 63 ASP C C 63 178.858 178.858 176.861 1.997 19614 1001 1 3 . 1 1 63 63 ASP CA C 63 56.964 56.964 56.979 -0.015 19614 1002 1 3 . 1 1 63 63 ASP CB C 63 40.822 40.822 40.343 0.479 19614 1003 1 3 . 1 1 63 63 ASP H H 63 7.844 7.844 8.494 -0.650 19614 1004 1 3 . 1 1 64 64 ALA N N 64 122.425 122.425 119.875 2.550 19614 1005 1 3 . 1 1 64 64 ALA HA H 64 4.086 4.086 4.251 -0.165 19614 1006 1 3 . 1 1 64 64 ALA C C 64 179.354 179.354 179.146 0.208 19614 1007 1 3 . 1 1 64 64 ALA CA C 64 54.396 54.396 54.299 0.097 19614 1008 1 3 . 1 1 64 64 ALA CB C 64 17.785 17.785 19.300 -1.515 19614 1009 1 3 . 1 1 64 64 ALA H H 64 7.869 7.869 7.329 0.540 19614 1010 1 3 . 1 1 65 65 LEU N N 65 116.489 116.489 116.122 0.367 19614 1011 1 3 . 1 1 65 65 LEU HA H 65 4.222 4.222 4.200 0.022 19614 1012 1 3 . 1 1 65 65 LEU C C 65 176.661 176.661 176.996 -0.335 19614 1013 1 3 . 1 1 65 65 LEU CA C 65 54.642 54.642 55.308 -0.666 19614 1014 1 3 . 1 1 65 65 LEU CB C 65 41.957 41.957 42.619 -0.662 19614 1015 1 3 . 1 1 65 65 LEU H H 65 7.669 7.669 7.556 0.113 19614 1016 1 3 . 1 1 66 66 LYS N N 66 118.229 118.229 116.922 1.307 19614 1017 1 3 . 1 1 66 66 LYS HA H 66 4.058 4.058 4.013 0.045 19614 1018 1 3 . 1 1 66 66 LYS C C 66 176.651 176.651 176.224 0.427 19614 1019 1 3 . 1 1 66 66 LYS CA C 66 57.100 57.100 57.007 0.093 19614 1020 1 3 . 1 1 66 66 LYS CB C 66 30.249 30.249 29.831 0.419 19614 1021 1 3 . 1 1 66 66 LYS H H 66 7.806 7.806 7.994 -0.188 19614 1022 1 3 . 1 1 67 67 LYS N N 67 119.380 119.380 119.585 -0.205 19614 1023 1 3 . 1 1 67 67 LYS HA H 67 4.278 4.278 4.125 0.153 19614 1024 1 3 . 1 1 67 67 LYS C C 67 176.163 176.163 176.629 -0.466 19614 1025 1 3 . 1 1 67 67 LYS CA C 67 55.658 55.658 57.890 -2.232 19614 1026 1 3 . 1 1 67 67 LYS CB C 67 33.462 33.462 33.121 0.341 19614 1027 1 3 . 1 1 67 67 LYS H H 67 8.249 8.249 8.199 0.050 19614 1028 1 3 . 1 1 68 68 ASP N N 68 120.812 120.812 112.870 7.942 19614 1029 1 3 . 1 1 68 68 ASP HA H 68 4.601 4.601 4.610 -0.009 19614 1030 1 3 . 1 1 68 68 ASP C C 68 177.001 177.001 174.984 2.017 19614 1031 1 3 . 1 1 68 68 ASP CA C 68 54.192 54.192 53.707 0.485 19614 1032 1 3 . 1 1 68 68 ASP CB C 68 41.383 41.383 42.367 -0.984 19614 1033 1 3 . 1 1 68 68 ASP H H 68 8.350 8.350 7.655 0.695 19614 1034 1 3 . 1 1 69 69 SER N N 69 119.061 119.061 116.134 2.927 19614 1035 1 3 . 1 1 69 69 SER HA H 69 4.199 4.199 4.558 -0.359 19614 1036 1 3 . 1 1 69 69 SER C C 69 175.643 175.643 176.093 -0.450 19614 1037 1 3 . 1 1 69 69 SER CA C 69 59.636 59.636 60.210 -0.574 19614 1038 1 3 . 1 1 69 69 SER CB C 69 63.237 63.237 63.999 -0.762 19614 1039 1 3 . 1 1 69 69 SER H H 69 8.608 8.608 8.569 0.039 19614 1040 1 3 . 1 1 70 70 SER N N 70 118.325 118.325 117.594 0.731 19614 1041 1 3 . 1 1 70 70 SER HA H 70 4.335 4.335 4.326 0.009 19614 1042 1 3 . 1 1 70 70 SER C C 70 175.275 175.275 176.147 -0.872 19614 1043 1 3 . 1 1 70 70 SER CA C 70 59.700 59.700 61.854 -2.154 19614 1044 1 3 . 1 1 70 70 SER CB C 70 63.243 63.243 63.417 -0.174 19614 1045 1 3 . 1 1 70 70 SER H H 70 8.514 8.514 9.146 -0.632 19614 1046 1 3 . 1 1 71 71 ARG N N 71 121.317 121.317 120.614 0.703 19614 1047 1 3 . 1 1 71 71 ARG HA H 71 4.231 4.231 4.223 0.008 19614 1048 1 3 . 1 1 71 71 ARG C C 71 176.223 176.223 178.292 -2.069 19614 1049 1 3 . 1 1 71 71 ARG CA C 71 56.368 56.368 58.040 -1.672 19614 1050 1 3 . 1 1 71 71 ARG CB C 71 30.148 30.148 29.187 0.961 19614 1051 1 3 . 1 1 71 71 ARG H H 71 7.965 7.965 8.059 -0.094 19614 1052 1 3 . 1 1 72 72 HIS N N 72 118.894 118.894 118.430 0.464 19614 1053 1 3 . 1 1 72 72 HIS HA H 72 4.663 4.663 4.442 0.221 19614 1054 1 3 . 1 1 72 72 HIS C C 72 175.122 175.122 175.761 -0.639 19614 1055 1 3 . 1 1 72 72 HIS CA C 72 55.935 55.935 58.194 -2.259 19614 1056 1 3 . 1 1 72 72 HIS CB C 72 29.974 29.974 29.724 0.250 19614 1057 1 3 . 1 1 72 72 HIS H H 72 8.036 8.036 7.919 0.117 19614 1058 1 3 . 1 1 73 73 SER N N 73 116.302 116.302 112.945 3.357 19614 1059 1 3 . 1 1 73 73 SER HA H 73 4.313 4.313 4.444 -0.131 19614 1060 1 3 . 1 1 73 73 SER C C 73 174.559 174.559 174.360 0.199 19614 1061 1 3 . 1 1 73 73 SER CA C 73 59.297 59.297 58.819 0.478 19614 1062 1 3 . 1 1 73 73 SER CB C 73 63.522 63.522 62.719 0.803 19614 1063 1 3 . 1 1 73 73 SER H H 73 8.029 8.029 7.757 0.272 19614 1064 1 3 . 1 1 74 74 LYS N N 74 122.545 122.545 121.494 1.051 19614 1065 1 3 . 1 1 74 74 LYS HA H 74 4.336 4.336 4.481 -0.145 19614 1066 1 3 . 1 1 74 74 LYS C C 74 175.929 175.929 175.035 0.894 19614 1067 1 3 . 1 1 74 74 LYS CA C 74 55.918 55.918 54.645 1.273 19614 1068 1 3 . 1 1 74 74 LYS CB C 74 32.143 32.143 32.859 -0.716 19614 1069 1 3 . 1 1 74 74 LYS H H 74 8.394 8.394 7.413 0.981 19614 1070 1 3 . 1 1 75 75 LEU N N 75 123.393 123.393 120.905 2.488 19614 1071 1 3 . 1 1 75 75 LEU HA H 75 4.402 4.402 4.556 -0.154 19614 1072 1 3 . 1 1 75 75 LEU C C 75 176.575 176.575 176.955 -0.380 19614 1073 1 3 . 1 1 75 75 LEU CA C 75 54.697 54.697 54.336 0.361 19614 1074 1 3 . 1 1 75 75 LEU CB C 75 43.481 43.481 42.001 1.480 19614 1075 1 3 . 1 1 75 75 LEU H H 75 7.943 7.943 7.636 0.307 19614 1076 1 3 . 1 1 76 76 GLU N N 76 123.357 123.357 123.402 -0.045 19614 1077 1 3 . 1 1 76 76 GLU HA H 76 4.551 4.551 4.579 -0.028 19614 1078 1 3 . 1 1 76 76 GLU C C 76 177.445 177.445 176.293 1.152 19614 1079 1 3 . 1 1 76 76 GLU CA C 76 54.962 54.962 54.612 0.350 19614 1080 1 3 . 1 1 76 76 GLU CB C 76 31.245 31.245 31.548 -0.303 19614 1081 1 3 . 1 1 76 76 GLU H H 76 9.136 9.136 8.148 0.988 19614 1082 1 3 . 1 1 77 77 LYS N N 77 122.655 122.655 123.285 -0.630 19614 1083 1 3 . 1 1 77 77 LYS HA H 77 3.830 3.830 3.975 -0.145 19614 1084 1 3 . 1 1 77 77 LYS C C 77 177.908 177.908 178.397 -0.489 19614 1085 1 3 . 1 1 77 77 LYS CA C 77 61.105 61.105 59.789 1.316 19614 1086 1 3 . 1 1 77 77 LYS CB C 77 32.423 32.423 32.311 0.112 19614 1087 1 3 . 1 1 77 77 LYS H H 77 8.858 8.858 8.685 0.173 19614 1088 1 3 . 1 1 78 78 ALA N N 78 118.008 118.008 118.852 -0.844 19614 1089 1 3 . 1 1 78 78 ALA HA H 78 3.892 3.892 4.183 -0.291 19614 1090 1 3 . 1 1 78 78 ALA C C 78 179.758 179.758 179.524 0.234 19614 1091 1 3 . 1 1 78 78 ALA CA C 78 55.456 55.456 54.779 0.677 19614 1092 1 3 . 1 1 78 78 ALA CB C 78 17.839 17.839 17.972 -0.133 19614 1093 1 3 . 1 1 78 78 ALA H H 78 9.131 9.131 8.437 0.694 19614 1094 1 3 . 1 1 79 79 ASP N N 79 114.744 114.744 119.335 -4.591 19614 1095 1 3 . 1 1 79 79 ASP HA H 79 4.346 4.346 4.540 -0.194 19614 1096 1 3 . 1 1 79 79 ASP C C 79 178.104 178.104 178.488 -0.384 19614 1097 1 3 . 1 1 79 79 ASP CA C 79 57.088 57.088 56.666 0.422 19614 1098 1 3 . 1 1 79 79 ASP CB C 79 41.728 41.728 40.785 0.943 19614 1099 1 3 . 1 1 79 79 ASP H H 79 7.052 7.052 7.720 -0.668 19614 1100 1 3 . 1 1 80 80 ILE N N 80 119.398 119.398 120.377 -0.979 19614 1101 1 3 . 1 1 80 80 ILE HA H 80 3.592 3.592 3.673 -0.081 19614 1102 1 3 . 1 1 80 80 ILE C C 80 179.567 179.567 177.926 1.641 19614 1103 1 3 . 1 1 80 80 ILE CA C 80 64.201 64.201 65.547 -1.346 19614 1104 1 3 . 1 1 80 80 ILE CB C 80 37.514 37.514 38.138 -0.624 19614 1105 1 3 . 1 1 80 80 ILE H H 80 7.983 7.983 7.990 -0.007 19614 1106 1 3 . 1 1 81 81 LEU N N 81 120.930 120.930 120.063 0.867 19614 1107 1 3 . 1 1 81 81 LEU HA H 81 3.931 3.931 3.867 0.064 19614 1108 1 3 . 1 1 81 81 LEU C C 81 178.312 178.312 179.075 -0.763 19614 1109 1 3 . 1 1 81 81 LEU CA C 81 58.588 58.588 58.361 0.227 19614 1110 1 3 . 1 1 81 81 LEU CB C 81 41.727 41.727 41.285 0.442 19614 1111 1 3 . 1 1 81 81 LEU H H 81 8.171 8.171 8.038 0.133 19614 1112 1 3 . 1 1 82 82 GLU N N 82 119.314 119.314 118.926 0.388 19614 1113 1 3 . 1 1 82 82 GLU HA H 82 3.917 3.917 3.960 -0.043 19614 1114 1 3 . 1 1 82 82 GLU C C 82 180.151 180.151 178.819 1.332 19614 1115 1 3 . 1 1 82 82 GLU CA C 82 59.864 59.864 59.298 0.566 19614 1116 1 3 . 1 1 82 82 GLU CB C 82 29.364 29.364 29.645 -0.281 19614 1117 1 3 . 1 1 82 82 GLU H H 82 7.984 7.984 8.322 -0.338 19614 1118 1 3 . 1 1 83 83 MET N N 83 118.669 118.669 119.755 -1.086 19614 1119 1 3 . 1 1 83 83 MET HA H 83 4.033 4.033 4.240 -0.207 19614 1120 1 3 . 1 1 83 83 MET C C 83 178.488 178.488 178.365 0.123 19614 1121 1 3 . 1 1 83 83 MET CA C 83 59.083 59.083 59.688 -0.605 19614 1122 1 3 . 1 1 83 83 MET CB C 83 33.883 33.883 32.662 1.221 19614 1123 1 3 . 1 1 83 83 MET H H 83 8.639 8.639 7.804 0.835 19614 1124 1 3 . 1 1 84 84 THR N N 84 118.733 118.733 115.841 2.892 19614 1125 1 3 . 1 1 84 84 THR HA H 84 3.853 3.853 4.113 -0.260 19614 1126 1 3 . 1 1 84 84 THR C C 84 175.659 175.659 176.883 -1.224 19614 1127 1 3 . 1 1 84 84 THR CA C 84 68.029 68.029 66.615 1.415 19614 1128 1 3 . 1 1 84 84 THR CB C 84 67.595 67.595 68.435 -0.840 19614 1129 1 3 . 1 1 84 84 THR H H 84 7.946 7.946 7.821 0.125 19614 1130 1 3 . 1 1 85 85 VAL N N 85 122.083 122.083 121.850 0.233 19614 1131 1 3 . 1 1 85 85 VAL HA H 85 3.311 3.311 3.678 -0.367 19614 1132 1 3 . 1 1 85 85 VAL C C 85 177.078 177.078 177.537 -0.459 19614 1133 1 3 . 1 1 85 85 VAL CA C 85 67.381 67.381 66.588 0.793 19614 1134 1 3 . 1 1 85 85 VAL CB C 85 32.168 32.168 31.320 0.848 19614 1135 1 3 . 1 1 85 85 VAL H H 85 8.089 8.089 7.614 0.475 19614 1136 1 3 . 1 1 86 86 LYS N N 86 117.409 117.409 119.610 -2.201 19614 1137 1 3 . 1 1 86 86 LYS HA H 86 3.835 3.835 3.926 -0.091 19614 1138 1 3 . 1 1 86 86 LYS C C 86 178.617 178.617 179.264 -0.647 19614 1139 1 3 . 1 1 86 86 LYS CA C 86 60.014 60.014 59.765 0.249 19614 1140 1 3 . 1 1 86 86 LYS CB C 86 32.336 32.336 32.093 0.243 19614 1141 1 3 . 1 1 86 86 LYS H H 86 7.785 7.785 8.470 -0.685 19614 1142 1 3 . 1 1 87 87 HIS N N 87 118.731 118.731 117.927 0.804 19614 1143 1 3 . 1 1 87 87 HIS HA H 87 4.513 4.513 4.440 0.073 19614 1144 1 3 . 1 1 87 87 HIS C C 87 177.356 177.356 177.498 -0.142 19614 1145 1 3 . 1 1 87 87 HIS CA C 87 59.368 59.368 59.318 0.050 19614 1146 1 3 . 1 1 87 87 HIS CB C 87 32.047 32.047 30.022 2.025 19614 1147 1 3 . 1 1 87 87 HIS H H 87 8.055 8.055 8.417 -0.362 19614 1148 1 3 . 1 1 88 88 LEU N N 88 117.189 117.189 121.846 -4.657 19614 1149 1 3 . 1 1 88 88 LEU C C 88 180.158 180.158 178.512 1.646 19614 1150 1 3 . 1 1 88 88 LEU CA C 88 57.927 57.927 58.055 -0.128 19614 1151 1 3 . 1 1 88 88 LEU CB C 88 41.748 41.748 41.646 0.102 19614 1152 1 3 . 1 1 88 88 LEU H H 88 8.450 8.450 8.008 0.442 19614 1153 1 3 . 1 1 89 89 ARG N N 89 119.542 119.542 118.879 0.663 19614 1154 1 3 . 1 1 89 89 ARG HA H 89 3.901 3.901 3.977 -0.076 19614 1155 1 3 . 1 1 89 89 ARG C C 89 178.875 178.875 178.893 -0.018 19614 1156 1 3 . 1 1 89 89 ARG CA C 89 59.667 59.667 58.116 1.551 19614 1157 1 3 . 1 1 89 89 ARG CB C 89 29.542 29.542 28.734 0.808 19614 1158 1 3 . 1 1 89 89 ARG H H 89 8.616 8.616 7.820 0.796 19614 1159 1 3 . 1 1 90 90 ASN N N 90 118.676 118.676 119.174 -0.498 19614 1160 1 3 . 1 1 90 90 ASN HA H 90 4.478 4.478 4.468 0.010 19614 1161 1 3 . 1 1 90 90 ASN C C 90 177.824 177.824 177.928 -0.104 19614 1162 1 3 . 1 1 90 90 ASN CA C 90 55.393 55.393 55.932 -0.539 19614 1163 1 3 . 1 1 90 90 ASN CB C 90 37.874 37.874 38.101 -0.227 19614 1164 1 3 . 1 1 90 90 ASN H H 90 7.935 7.935 7.750 0.185 19614 1165 1 3 . 1 1 91 91 LEU N N 91 119.885 119.885 120.001 -0.116 19614 1166 1 3 . 1 1 91 91 LEU HA H 91 4.045 4.045 4.113 -0.068 19614 1167 1 3 . 1 1 91 91 LEU C C 91 178.707 178.707 179.046 -0.339 19614 1168 1 3 . 1 1 91 91 LEU CA C 91 56.705 56.705 57.390 -0.685 19614 1169 1 3 . 1 1 91 91 LEU CB C 91 41.918 41.918 41.800 0.118 19614 1170 1 3 . 1 1 91 91 LEU H H 91 7.890 7.890 8.385 -0.495 19614 1171 1 3 . 1 1 92 92 GLN N N 92 118.288 118.288 117.372 0.916 19614 1172 1 3 . 1 1 92 92 GLN HA H 92 4.149 4.149 4.218 -0.069 19614 1173 1 3 . 1 1 92 92 GLN C C 92 176.562 176.562 178.216 -1.654 19614 1174 1 3 . 1 1 92 92 GLN CA C 92 57.055 57.055 58.046 -0.991 19614 1175 1 3 . 1 1 92 92 GLN CB C 92 28.937 28.937 29.024 -0.087 19614 1176 1 3 . 1 1 92 92 GLN H H 92 7.683 7.683 8.179 -0.496 19614 1177 1 3 . 1 1 93 93 ARG N N 93 119.664 119.664 117.717 1.947 19614 1178 1 3 . 1 1 93 93 ARG HA H 93 4.238 4.238 4.466 -0.228 19614 1179 1 3 . 1 1 93 93 ARG C C 93 175.928 175.928 177.034 -1.106 19614 1180 1 3 . 1 1 93 93 ARG CA C 93 56.467 56.467 56.354 0.113 19614 1181 1 3 . 1 1 93 93 ARG CB C 93 30.459 30.459 29.136 1.323 19614 1182 1 3 . 1 1 93 93 ARG H H 93 7.786 7.786 8.085 -0.299 19614 1183 1 3 . 1 1 94 94 ALA N N 94 124.562 124.562 121.409 3.153 19614 1184 1 3 . 1 1 94 94 ALA HA H 94 4.308 4.308 4.244 0.064 19614 1185 1 3 . 1 1 94 94 ALA C C 94 176.753 176.753 177.061 -0.308 19614 1186 1 3 . 1 1 94 94 ALA CA C 94 52.465 52.465 53.304 -0.839 19614 1187 1 3 . 1 1 94 94 ALA CB C 94 19.023 19.023 19.008 0.015 19614 1188 1 3 . 1 1 94 94 ALA H H 94 8.017 8.017 8.191 -0.174 19614 1189 1 4 . 1 1 27 27 LYS HA H 27 4.626 4.626 4.818 -0.192 19614 1190 1 4 . 1 1 27 27 LYS CA C 27 54.410 54.410 55.183 -0.773 19614 1191 1 4 . 1 1 27 27 LYS CB C 27 32.346 32.346 33.752 -1.406 19614 1192 1 4 . 1 1 28 28 PRO HA H 28 4.402 4.402 4.574 -0.172 19614 1193 1 4 . 1 1 28 28 PRO C C 28 176.815 176.815 176.227 0.588 19614 1194 1 4 . 1 1 28 28 PRO CA C 28 62.876 62.876 63.253 -0.377 19614 1195 1 4 . 1 1 28 28 PRO CB C 28 32.162 32.162 32.152 0.010 19614 1196 1 4 . 1 1 29 29 LYS N N 29 122.449 122.449 118.890 3.559 19614 1197 1 4 . 1 1 29 29 LYS HA H 29 4.297 4.297 4.531 -0.234 19614 1198 1 4 . 1 1 29 29 LYS C C 29 176.961 176.961 176.343 0.618 19614 1199 1 4 . 1 1 29 29 LYS CA C 29 56.463 56.463 55.026 1.437 19614 1200 1 4 . 1 1 29 29 LYS CB C 29 32.816 32.816 34.882 -2.066 19614 1201 1 4 . 1 1 29 29 LYS H H 29 8.586 8.586 7.444 1.142 19614 1202 1 4 . 1 1 30 30 THR N N 30 115.695 115.695 112.273 3.422 19614 1203 1 4 . 1 1 30 30 THR HA H 30 4.293 4.293 4.066 0.227 19614 1204 1 4 . 1 1 30 30 THR C C 30 174.354 174.354 173.982 0.372 19614 1205 1 4 . 1 1 30 30 THR CA C 30 61.555 61.555 62.812 -1.257 19614 1206 1 4 . 1 1 30 30 THR CB C 30 69.949 69.949 68.446 1.503 19614 1207 1 4 . 1 1 30 30 THR H H 30 8.219 8.219 8.704 -0.485 19614 1208 1 4 . 1 1 31 31 ALA N N 31 125.923 125.923 121.653 4.270 19614 1209 1 4 . 1 1 31 31 ALA HA H 31 4.312 4.312 4.773 -0.461 19614 1210 1 4 . 1 1 31 31 ALA C C 31 178.014 178.014 176.667 1.347 19614 1211 1 4 . 1 1 31 31 ALA CA C 31 52.781 52.781 51.948 0.833 19614 1212 1 4 . 1 1 31 31 ALA CB C 31 19.125 19.125 20.054 -0.929 19614 1213 1 4 . 1 1 31 31 ALA H H 31 8.505 8.505 8.367 0.138 19614 1214 1 4 . 1 1 32 32 SER N N 32 115.249 115.249 116.260 -1.011 19614 1215 1 4 . 1 1 32 32 SER HA H 32 4.338 4.338 4.407 -0.069 19614 1216 1 4 . 1 1 32 32 SER C C 32 174.783 174.783 175.080 -0.297 19614 1217 1 4 . 1 1 32 32 SER CA C 32 58.633 58.633 59.886 -1.253 19614 1218 1 4 . 1 1 32 32 SER CB C 32 63.475 63.475 62.164 1.311 19614 1219 1 4 . 1 1 32 32 SER H H 32 8.365 8.365 7.993 0.372 19614 1220 1 4 . 1 1 33 33 GLU N N 33 122.748 122.748 123.479 -0.731 19614 1221 1 4 . 1 1 33 33 GLU HA H 33 4.205 4.205 3.957 0.248 19614 1222 1 4 . 1 1 33 33 GLU C C 33 176.411 176.411 175.867 0.544 19614 1223 1 4 . 1 1 33 33 GLU CA C 33 56.678 56.678 58.296 -1.618 19614 1224 1 4 . 1 1 33 33 GLU CB C 33 30.241 30.241 28.866 1.375 19614 1225 1 4 . 1 1 33 33 GLU H H 33 8.390 8.390 8.870 -0.480 19614 1226 1 4 . 1 1 34 34 HIS N N 34 120.453 120.453 117.186 3.267 19614 1227 1 4 . 1 1 34 34 HIS HA H 34 4.605 4.605 4.489 0.116 19614 1228 1 4 . 1 1 34 34 HIS C C 34 175.167 175.167 175.378 -0.211 19614 1229 1 4 . 1 1 34 34 HIS CA C 34 56.035 56.035 56.763 -0.728 19614 1230 1 4 . 1 1 34 34 HIS CB C 34 29.938 29.938 30.505 -0.567 19614 1231 1 4 . 1 1 34 34 HIS H H 34 8.431 8.431 7.646 0.785 19614 1232 1 4 . 1 1 35 35 ARG N N 35 122.797 122.797 121.111 1.686 19614 1233 1 4 . 1 1 35 35 ARG HA H 35 4.261 4.261 4.129 0.132 19614 1234 1 4 . 1 1 35 35 ARG C C 35 176.411 176.411 175.372 1.039 19614 1235 1 4 . 1 1 35 35 ARG CA C 35 56.306 56.306 56.886 -0.580 19614 1236 1 4 . 1 1 35 35 ARG CB C 35 30.587 30.587 29.555 1.032 19614 1237 1 4 . 1 1 35 35 ARG H H 35 8.419 8.419 7.549 0.870 19614 1238 1 4 . 1 1 36 36 LYS N N 36 122.974 122.974 125.402 -2.428 19614 1239 1 4 . 1 1 36 36 LYS HA H 36 4.288 4.288 4.478 -0.190 19614 1240 1 4 . 1 1 36 36 LYS C C 36 176.738 176.738 175.428 1.310 19614 1241 1 4 . 1 1 36 36 LYS CA C 36 56.514 56.514 55.969 0.545 19614 1242 1 4 . 1 1 36 36 LYS CB C 36 32.857 32.857 33.773 -0.916 19614 1243 1 4 . 1 1 36 36 LYS H H 36 8.482 8.482 8.236 0.246 19614 1244 1 4 . 1 1 37 37 SER N N 37 117.137 117.137 122.347 -5.210 19614 1245 1 4 . 1 1 37 37 SER HA H 37 4.469 4.469 4.673 -0.204 19614 1246 1 4 . 1 1 37 37 SER C C 37 174.495 174.495 174.108 0.387 19614 1247 1 4 . 1 1 37 37 SER CA C 37 58.115 58.115 57.967 0.148 19614 1248 1 4 . 1 1 37 37 SER CB C 37 63.627 63.627 63.266 0.361 19614 1249 1 4 . 1 1 37 37 SER H H 37 8.410 8.410 8.523 -0.113 19614 1250 1 4 . 1 1 38 38 SER N N 38 118.622 118.622 119.665 -1.043 19614 1251 1 4 . 1 1 38 38 SER HA H 38 4.467 4.467 4.643 -0.176 19614 1252 1 4 . 1 1 38 38 SER C C 38 174.332 174.332 173.593 0.739 19614 1253 1 4 . 1 1 38 38 SER CA C 38 58.187 58.187 58.084 0.103 19614 1254 1 4 . 1 1 38 38 SER CB C 38 63.703 63.703 65.756 -2.053 19614 1255 1 4 . 1 1 38 38 SER H H 38 8.456 8.456 8.042 0.414 19614 1256 1 4 . 1 1 39 39 LYS N N 39 124.176 124.176 124.150 0.026 19614 1257 1 4 . 1 1 39 39 LYS HA H 39 4.478 4.478 4.717 -0.239 19614 1258 1 4 . 1 1 39 39 LYS C C 39 174.904 174.904 175.744 -0.840 19614 1259 1 4 . 1 1 39 39 LYS CA C 39 56.707 56.707 53.668 3.039 19614 1260 1 4 . 1 1 39 39 LYS CB C 39 31.595 31.595 32.437 -0.842 19614 1261 1 4 . 1 1 39 39 LYS H H 39 8.489 8.489 8.564 -0.075 19614 1262 1 4 . 1 1 40 40 PRO HA H 40 4.401 4.401 4.346 0.055 19614 1263 1 4 . 1 1 40 40 PRO C C 40 178.173 178.173 178.799 -0.626 19614 1264 1 4 . 1 1 40 40 PRO CA C 40 64.315 64.315 65.138 -0.823 19614 1265 1 4 . 1 1 40 40 PRO CB C 40 31.675 31.675 32.073 -0.398 19614 1266 1 4 . 1 1 41 41 ILE N N 41 120.414 120.414 117.976 2.438 19614 1267 1 4 . 1 1 41 41 ILE HA H 41 3.967 3.967 3.893 0.074 19614 1268 1 4 . 1 1 41 41 ILE C C 41 177.393 177.393 177.435 -0.042 19614 1269 1 4 . 1 1 41 41 ILE CA C 41 62.575 62.575 64.479 -1.904 19614 1270 1 4 . 1 1 41 41 ILE CB C 41 37.900 37.900 37.825 0.075 19614 1271 1 4 . 1 1 41 41 ILE H H 41 8.011 8.011 7.875 0.136 19614 1272 1 4 . 1 1 42 42 MET N N 42 122.411 122.411 117.854 4.557 19614 1273 1 4 . 1 1 42 42 MET HA H 42 4.330 4.330 4.243 0.087 19614 1274 1 4 . 1 1 42 42 MET C C 42 178.050 178.050 178.576 -0.526 19614 1275 1 4 . 1 1 42 42 MET CA C 42 56.959 56.959 57.687 -0.728 19614 1276 1 4 . 1 1 42 42 MET CB C 42 32.024 32.024 31.027 0.996 19614 1277 1 4 . 1 1 42 42 MET H H 42 8.335 8.335 7.967 0.368 19614 1278 1 4 . 1 1 43 43 GLU N N 43 121.832 121.832 119.684 2.148 19614 1279 1 4 . 1 1 43 43 GLU HA H 43 4.193 4.193 3.993 0.200 19614 1280 1 4 . 1 1 43 43 GLU C C 43 177.835 177.835 178.898 -1.063 19614 1281 1 4 . 1 1 43 43 GLU CA C 43 58.157 58.157 59.541 -1.385 19614 1282 1 4 . 1 1 43 43 GLU CB C 43 29.543 29.543 28.864 0.679 19614 1283 1 4 . 1 1 43 43 GLU H H 43 8.397 8.397 8.751 -0.354 19614 1284 1 4 . 1 1 44 44 LYS N N 44 121.347 121.347 120.822 0.525 19614 1285 1 4 . 1 1 44 44 LYS HA H 44 4.083 4.083 4.093 -0.010 19614 1286 1 4 . 1 1 44 44 LYS C C 44 178.745 178.745 179.052 -0.307 19614 1287 1 4 . 1 1 44 44 LYS CA C 44 58.846 58.846 58.547 0.298 19614 1288 1 4 . 1 1 44 44 LYS CB C 44 32.493 32.493 32.261 0.232 19614 1289 1 4 . 1 1 44 44 LYS H H 44 8.124 8.124 7.624 0.500 19614 1290 1 4 . 1 1 45 45 ARG N N 45 120.603 120.603 119.004 1.599 19614 1291 1 4 . 1 1 45 45 ARG HA H 45 4.247 4.247 4.021 0.226 19614 1292 1 4 . 1 1 45 45 ARG C C 45 178.025 178.025 178.763 -0.738 19614 1293 1 4 . 1 1 45 45 ARG CA C 45 58.201 58.201 59.686 -1.485 19614 1294 1 4 . 1 1 45 45 ARG CB C 45 29.888 29.888 30.205 -0.317 19614 1295 1 4 . 1 1 45 45 ARG H H 45 8.219 8.219 8.035 0.184 19614 1296 1 4 . 1 1 46 46 ARG N N 46 121.714 121.714 119.955 1.759 19614 1297 1 4 . 1 1 46 46 ARG HA H 46 3.908 3.908 4.006 -0.098 19614 1298 1 4 . 1 1 46 46 ARG C C 46 177.855 177.855 178.278 -0.423 19614 1299 1 4 . 1 1 46 46 ARG CA C 46 59.726 59.726 59.545 0.181 19614 1300 1 4 . 1 1 46 46 ARG CB C 46 30.215 30.215 30.179 0.036 19614 1301 1 4 . 1 1 46 46 ARG H H 46 8.245 8.245 8.498 -0.253 19614 1302 1 4 . 1 1 47 47 ARG N N 47 118.469 118.469 119.374 -0.905 19614 1303 1 4 . 1 1 47 47 ARG HA H 47 3.961 3.961 4.040 -0.079 19614 1304 1 4 . 1 1 47 47 ARG C C 47 177.899 177.899 178.082 -0.183 19614 1305 1 4 . 1 1 47 47 ARG CA C 47 58.541 58.541 59.372 -0.831 19614 1306 1 4 . 1 1 47 47 ARG CB C 47 29.704 29.704 30.115 -0.411 19614 1307 1 4 . 1 1 47 47 ARG H H 47 8.233 8.233 8.354 -0.121 19614 1308 1 4 . 1 1 48 48 ALA N N 48 121.720 121.720 122.002 -0.282 19614 1309 1 4 . 1 1 48 48 ALA HA H 48 4.205 4.205 4.008 0.197 19614 1310 1 4 . 1 1 48 48 ALA C C 48 180.284 180.284 179.759 0.525 19614 1311 1 4 . 1 1 48 48 ALA CA C 48 54.815 54.815 55.254 -0.439 19614 1312 1 4 . 1 1 48 48 ALA CB C 48 18.025 18.025 18.053 -0.028 19614 1313 1 4 . 1 1 48 48 ALA H H 48 7.962 7.962 8.265 -0.303 19614 1314 1 4 . 1 1 49 49 ARG N N 49 119.603 119.603 118.744 0.859 19614 1315 1 4 . 1 1 49 49 ARG C C 49 179.589 179.589 179.331 0.258 19614 1316 1 4 . 1 1 49 49 ARG CA C 49 59.291 59.291 59.251 0.040 19614 1317 1 4 . 1 1 49 49 ARG CB C 49 30.993 30.993 30.124 0.869 19614 1318 1 4 . 1 1 49 49 ARG H H 49 8.103 8.103 7.895 0.208 19614 1319 1 4 . 1 1 50 50 ILE N N 50 121.545 121.545 121.420 0.125 19614 1320 1 4 . 1 1 50 50 ILE HA H 50 3.662 3.662 3.546 0.116 19614 1321 1 4 . 1 1 50 50 ILE C C 50 177.372 177.372 177.900 -0.528 19614 1322 1 4 . 1 1 50 50 ILE CA C 50 65.302 65.302 65.609 -0.307 19614 1323 1 4 . 1 1 50 50 ILE CB C 50 38.216 38.216 37.493 0.723 19614 1324 1 4 . 1 1 50 50 ILE H H 50 8.145 8.145 8.558 -0.413 19614 1325 1 4 . 1 1 51 51 ASN N N 51 117.894 117.894 117.950 -0.056 19614 1326 1 4 . 1 1 51 51 ASN HA H 51 4.407 4.407 4.439 -0.032 19614 1327 1 4 . 1 1 51 51 ASN C C 51 178.725 178.725 178.182 0.543 19614 1328 1 4 . 1 1 51 51 ASN CA C 51 56.205 56.205 56.163 0.042 19614 1329 1 4 . 1 1 51 51 ASN CB C 51 37.594 37.594 37.727 -0.133 19614 1330 1 4 . 1 1 51 51 ASN H H 51 8.431 8.431 8.544 -0.113 19614 1331 1 4 . 1 1 52 52 GLU N N 52 121.612 121.612 121.324 0.288 19614 1332 1 4 . 1 1 52 52 GLU HA H 52 4.205 4.205 3.988 0.217 19614 1333 1 4 . 1 1 52 52 GLU C C 52 179.243 179.243 179.116 0.127 19614 1334 1 4 . 1 1 52 52 GLU CA C 52 59.291 59.291 59.800 -0.508 19614 1335 1 4 . 1 1 52 52 GLU CB C 52 29.101 29.101 29.520 -0.419 19614 1336 1 4 . 1 1 52 52 GLU H H 52 8.299 8.299 8.658 -0.359 19614 1337 1 4 . 1 1 53 53 SER N N 53 116.604 116.604 116.259 0.345 19614 1338 1 4 . 1 1 53 53 SER C C 53 176.283 176.283 176.582 -0.299 19614 1339 1 4 . 1 1 53 53 SER CA C 53 63.032 63.032 62.184 0.848 19614 1340 1 4 . 1 1 53 53 SER H H 53 8.254 8.254 8.224 0.030 19614 1341 1 4 . 1 1 54 54 LEU N N 54 121.925 121.925 122.738 -0.813 19614 1342 1 4 . 1 1 54 54 LEU HA H 54 3.962 3.962 4.020 -0.058 19614 1343 1 4 . 1 1 54 54 LEU C C 54 178.897 178.897 178.031 0.866 19614 1344 1 4 . 1 1 54 54 LEU CA C 54 58.116 58.116 57.928 0.188 19614 1345 1 4 . 1 1 54 54 LEU CB C 54 41.576 41.576 41.874 -0.298 19614 1346 1 4 . 1 1 54 54 LEU H H 54 8.693 8.693 8.589 0.104 19614 1347 1 4 . 1 1 55 55 SER N N 55 114.515 114.515 114.999 -0.484 19614 1348 1 4 . 1 1 55 55 SER HA H 55 4.181 4.181 4.053 0.128 19614 1349 1 4 . 1 1 55 55 SER C C 55 177.381 177.381 176.674 0.707 19614 1350 1 4 . 1 1 55 55 SER CA C 55 61.568 61.568 62.166 -0.598 19614 1351 1 4 . 1 1 55 55 SER CB C 55 62.527 62.527 63.073 -0.546 19614 1352 1 4 . 1 1 55 55 SER H H 55 7.823 7.823 8.454 -0.631 19614 1353 1 4 . 1 1 56 56 GLN N N 56 120.605 120.605 120.666 -0.061 19614 1354 1 4 . 1 1 56 56 GLN HA H 56 4.087 4.087 4.158 -0.071 19614 1355 1 4 . 1 1 56 56 GLN C C 56 178.904 178.904 178.236 0.668 19614 1356 1 4 . 1 1 56 56 GLN CA C 56 58.679 58.679 58.394 0.285 19614 1357 1 4 . 1 1 56 56 GLN CB C 56 28.669 28.669 28.324 0.345 19614 1358 1 4 . 1 1 56 56 GLN H H 56 7.886 7.886 7.810 0.076 19614 1359 1 4 . 1 1 57 57 LEU N N 57 120.488 120.488 122.677 -2.189 19614 1360 1 4 . 1 1 57 57 LEU HA H 57 3.953 3.953 3.912 0.041 19614 1361 1 4 . 1 1 57 57 LEU C C 57 177.406 177.406 178.382 -0.976 19614 1362 1 4 . 1 1 57 57 LEU CA C 57 57.957 57.957 58.388 -0.431 19614 1363 1 4 . 1 1 57 57 LEU CB C 57 41.486 41.486 42.057 -0.571 19614 1364 1 4 . 1 1 57 57 LEU H H 57 8.845 8.845 8.410 0.435 19614 1365 1 4 . 1 1 58 58 LYS N N 58 118.053 118.053 116.701 1.352 19614 1366 1 4 . 1 1 58 58 LYS C C 58 176.891 176.891 179.100 -2.209 19614 1367 1 4 . 1 1 58 58 LYS CA C 58 60.535 60.535 59.124 1.411 19614 1368 1 4 . 1 1 58 58 LYS CB C 58 31.903 31.903 31.820 0.083 19614 1369 1 4 . 1 1 58 58 LYS H H 58 8.145 8.145 8.269 -0.124 19614 1370 1 4 . 1 1 59 59 THR N N 59 112.948 112.948 118.563 -5.615 19614 1371 1 4 . 1 1 59 59 THR HA H 59 3.812 3.812 4.082 -0.270 19614 1372 1 4 . 1 1 59 59 THR C C 59 176.273 176.273 176.550 -0.277 19614 1373 1 4 . 1 1 59 59 THR CA C 59 66.367 66.367 66.424 -0.057 19614 1374 1 4 . 1 1 59 59 THR CB C 59 68.902 68.902 68.758 0.144 19614 1375 1 4 . 1 1 59 59 THR H H 59 7.393 7.393 7.697 -0.304 19614 1376 1 4 . 1 1 60 60 LEU N N 60 120.435 120.435 121.978 -1.543 19614 1377 1 4 . 1 1 60 60 LEU HA H 60 4.066 4.066 4.064 0.002 19614 1378 1 4 . 1 1 60 60 LEU C C 60 179.994 179.994 179.272 0.722 19614 1379 1 4 . 1 1 60 60 LEU CA C 60 58.096 58.096 57.933 0.163 19614 1380 1 4 . 1 1 60 60 LEU CB C 60 43.107 43.107 40.792 2.315 19614 1381 1 4 . 1 1 60 60 LEU H H 60 8.005 8.005 8.595 -0.590 19614 1382 1 4 . 1 1 61 61 ILE N N 61 120.041 120.041 119.651 0.390 19614 1383 1 4 . 1 1 61 61 ILE HA H 61 3.934 3.934 3.732 0.203 19614 1384 1 4 . 1 1 61 61 ILE C C 61 176.957 176.957 178.553 -1.596 19614 1385 1 4 . 1 1 61 61 ILE CA C 61 60.979 60.979 63.552 -2.573 19614 1386 1 4 . 1 1 61 61 ILE CB C 61 37.229 37.229 36.839 0.390 19614 1387 1 4 . 1 1 61 61 ILE H H 61 8.847 8.847 8.154 0.693 19614 1388 1 4 . 1 1 62 62 LEU N N 62 121.236 121.236 121.249 -0.013 19614 1389 1 4 . 1 1 62 62 LEU HA H 62 3.909 3.909 3.965 -0.056 19614 1390 1 4 . 1 1 62 62 LEU C C 62 179.562 179.562 178.814 0.748 19614 1391 1 4 . 1 1 62 62 LEU CA C 62 58.035 58.035 57.855 0.180 19614 1392 1 4 . 1 1 62 62 LEU CB C 62 40.219 40.219 40.750 -0.531 19614 1393 1 4 . 1 1 62 62 LEU H H 62 7.944 7.944 8.371 -0.427 19614 1394 1 4 . 1 1 63 63 ASP N N 63 117.983 117.983 119.404 -1.421 19614 1395 1 4 . 1 1 63 63 ASP HA H 63 4.458 4.458 4.410 0.048 19614 1396 1 4 . 1 1 63 63 ASP C C 63 178.858 178.858 177.540 1.318 19614 1397 1 4 . 1 1 63 63 ASP CA C 63 56.964 56.964 56.953 0.011 19614 1398 1 4 . 1 1 63 63 ASP CB C 63 40.822 40.822 40.737 0.085 19614 1399 1 4 . 1 1 63 63 ASP H H 63 7.844 7.844 8.370 -0.526 19614 1400 1 4 . 1 1 64 64 ALA N N 64 122.425 122.425 120.712 1.713 19614 1401 1 4 . 1 1 64 64 ALA HA H 64 4.086 4.086 4.221 -0.135 19614 1402 1 4 . 1 1 64 64 ALA C C 64 179.354 179.354 178.314 1.040 19614 1403 1 4 . 1 1 64 64 ALA CA C 64 54.396 54.396 53.679 0.716 19614 1404 1 4 . 1 1 64 64 ALA CB C 64 17.785 17.785 19.149 -1.364 19614 1405 1 4 . 1 1 64 64 ALA H H 64 7.869 7.869 7.564 0.305 19614 1406 1 4 . 1 1 65 65 LEU N N 65 116.489 116.489 115.879 0.610 19614 1407 1 4 . 1 1 65 65 LEU HA H 65 4.222 4.222 4.324 -0.102 19614 1408 1 4 . 1 1 65 65 LEU C C 65 176.661 176.661 177.072 -0.411 19614 1409 1 4 . 1 1 65 65 LEU CA C 65 54.642 54.642 55.201 -0.559 19614 1410 1 4 . 1 1 65 65 LEU CB C 65 41.957 41.957 42.897 -0.940 19614 1411 1 4 . 1 1 65 65 LEU H H 65 7.669 7.669 7.300 0.369 19614 1412 1 4 . 1 1 66 66 LYS N N 66 118.229 118.229 115.349 2.880 19614 1413 1 4 . 1 1 66 66 LYS HA H 66 4.058 4.058 3.960 0.098 19614 1414 1 4 . 1 1 66 66 LYS C C 66 176.651 176.651 176.237 0.414 19614 1415 1 4 . 1 1 66 66 LYS CA C 66 57.100 57.100 57.284 -0.184 19614 1416 1 4 . 1 1 66 66 LYS CB C 66 30.249 30.249 29.218 1.031 19614 1417 1 4 . 1 1 66 66 LYS H H 66 7.806 7.806 8.313 -0.507 19614 1418 1 4 . 1 1 67 67 LYS N N 67 119.380 119.380 118.619 0.761 19614 1419 1 4 . 1 1 67 67 LYS HA H 67 4.278 4.278 4.101 0.177 19614 1420 1 4 . 1 1 67 67 LYS C C 67 176.163 176.163 176.424 -0.261 19614 1421 1 4 . 1 1 67 67 LYS CA C 67 55.658 55.658 58.738 -3.080 19614 1422 1 4 . 1 1 67 67 LYS CB C 67 33.462 33.462 33.004 0.458 19614 1423 1 4 . 1 1 67 67 LYS H H 67 8.249 8.249 7.839 0.410 19614 1424 1 4 . 1 1 68 68 ASP N N 68 120.812 120.812 115.375 5.437 19614 1425 1 4 . 1 1 68 68 ASP HA H 68 4.601 4.601 4.641 -0.040 19614 1426 1 4 . 1 1 68 68 ASP C C 68 177.001 177.001 175.402 1.599 19614 1427 1 4 . 1 1 68 68 ASP CA C 68 54.192 54.192 53.869 0.323 19614 1428 1 4 . 1 1 68 68 ASP CB C 68 41.383 41.383 42.606 -1.223 19614 1429 1 4 . 1 1 68 68 ASP H H 68 8.350 8.350 7.914 0.436 19614 1430 1 4 . 1 1 69 69 SER N N 69 119.061 119.061 117.966 1.095 19614 1431 1 4 . 1 1 69 69 SER HA H 69 4.199 4.199 4.445 -0.246 19614 1432 1 4 . 1 1 69 69 SER C C 69 175.643 175.643 175.976 -0.333 19614 1433 1 4 . 1 1 69 69 SER CA C 69 59.636 59.636 59.389 0.247 19614 1434 1 4 . 1 1 69 69 SER CB C 69 63.237 63.237 63.638 -0.401 19614 1435 1 4 . 1 1 69 69 SER H H 69 8.608 8.608 8.615 -0.007 19614 1436 1 4 . 1 1 70 70 SER N N 70 118.325 118.325 118.293 0.032 19614 1437 1 4 . 1 1 70 70 SER HA H 70 4.335 4.335 4.237 0.098 19614 1438 1 4 . 1 1 70 70 SER C C 70 175.275 175.275 176.199 -0.924 19614 1439 1 4 . 1 1 70 70 SER CA C 70 59.700 59.700 62.192 -2.492 19614 1440 1 4 . 1 1 70 70 SER CB C 70 63.243 63.243 63.295 -0.052 19614 1441 1 4 . 1 1 70 70 SER H H 70 8.514 8.514 9.009 -0.495 19614 1442 1 4 . 1 1 71 71 ARG N N 71 121.317 121.317 120.198 1.119 19614 1443 1 4 . 1 1 71 71 ARG HA H 71 4.231 4.231 4.200 0.031 19614 1444 1 4 . 1 1 71 71 ARG C C 71 176.223 176.223 178.457 -2.234 19614 1445 1 4 . 1 1 71 71 ARG CA C 71 56.368 56.368 58.012 -1.644 19614 1446 1 4 . 1 1 71 71 ARG CB C 71 30.148 30.148 29.177 0.971 19614 1447 1 4 . 1 1 71 71 ARG H H 71 7.965 7.965 8.070 -0.105 19614 1448 1 4 . 1 1 72 72 HIS N N 72 118.894 118.894 120.036 -1.142 19614 1449 1 4 . 1 1 72 72 HIS HA H 72 4.663 4.663 4.345 0.318 19614 1450 1 4 . 1 1 72 72 HIS C C 72 175.122 175.122 176.387 -1.265 19614 1451 1 4 . 1 1 72 72 HIS CA C 72 55.935 55.935 59.471 -3.536 19614 1452 1 4 . 1 1 72 72 HIS CB C 72 29.974 29.974 29.695 0.279 19614 1453 1 4 . 1 1 72 72 HIS H H 72 8.036 8.036 7.920 0.116 19614 1454 1 4 . 1 1 73 73 SER N N 73 116.302 116.302 112.469 3.833 19614 1455 1 4 . 1 1 73 73 SER HA H 73 4.313 4.313 4.255 0.058 19614 1456 1 4 . 1 1 73 73 SER C C 73 174.559 174.559 174.388 0.171 19614 1457 1 4 . 1 1 73 73 SER CA C 73 59.297 59.297 59.711 -0.414 19614 1458 1 4 . 1 1 73 73 SER CB C 73 63.522 63.522 63.496 0.026 19614 1459 1 4 . 1 1 73 73 SER H H 73 8.029 8.029 7.773 0.256 19614 1460 1 4 . 1 1 74 74 LYS N N 74 122.545 122.545 120.489 2.056 19614 1461 1 4 . 1 1 74 74 LYS HA H 74 4.336 4.336 4.424 -0.088 19614 1462 1 4 . 1 1 74 74 LYS C C 74 175.929 175.929 175.558 0.371 19614 1463 1 4 . 1 1 74 74 LYS CA C 74 55.918 55.918 54.572 1.346 19614 1464 1 4 . 1 1 74 74 LYS CB C 74 32.143 32.143 32.601 -0.458 19614 1465 1 4 . 1 1 74 74 LYS H H 74 8.394 8.394 7.564 0.830 19614 1466 1 4 . 1 1 75 75 LEU N N 75 123.393 123.393 122.486 0.907 19614 1467 1 4 . 1 1 75 75 LEU HA H 75 4.402 4.402 4.452 -0.050 19614 1468 1 4 . 1 1 75 75 LEU C C 75 176.575 176.575 176.932 -0.357 19614 1469 1 4 . 1 1 75 75 LEU CA C 75 54.697 54.697 55.136 -0.439 19614 1470 1 4 . 1 1 75 75 LEU CB C 75 43.481 43.481 42.193 1.288 19614 1471 1 4 . 1 1 75 75 LEU H H 75 7.943 7.943 7.260 0.683 19614 1472 1 4 . 1 1 76 76 GLU N N 76 123.357 123.357 124.658 -1.301 19614 1473 1 4 . 1 1 76 76 GLU HA H 76 4.551 4.551 4.462 0.089 19614 1474 1 4 . 1 1 76 76 GLU C C 76 177.445 177.445 176.904 0.541 19614 1475 1 4 . 1 1 76 76 GLU CA C 76 54.962 54.962 55.050 -0.088 19614 1476 1 4 . 1 1 76 76 GLU CB C 76 31.245 31.245 31.116 0.129 19614 1477 1 4 . 1 1 76 76 GLU H H 76 9.136 9.136 8.399 0.737 19614 1478 1 4 . 1 1 77 77 LYS N N 77 122.655 122.655 122.166 0.489 19614 1479 1 4 . 1 1 77 77 LYS HA H 77 3.830 3.830 3.928 -0.098 19614 1480 1 4 . 1 1 77 77 LYS C C 77 177.908 177.908 178.442 -0.534 19614 1481 1 4 . 1 1 77 77 LYS CA C 77 61.105 61.105 60.424 0.681 19614 1482 1 4 . 1 1 77 77 LYS CB C 77 32.423 32.423 32.263 0.160 19614 1483 1 4 . 1 1 77 77 LYS H H 77 8.858 8.858 8.740 0.118 19614 1484 1 4 . 1 1 78 78 ALA N N 78 118.008 118.008 118.166 -0.158 19614 1485 1 4 . 1 1 78 78 ALA HA H 78 3.892 3.892 4.189 -0.297 19614 1486 1 4 . 1 1 78 78 ALA C C 78 179.758 179.758 179.702 0.056 19614 1487 1 4 . 1 1 78 78 ALA CA C 78 55.456 55.456 54.624 0.832 19614 1488 1 4 . 1 1 78 78 ALA CB C 78 17.839 17.839 17.968 -0.129 19614 1489 1 4 . 1 1 78 78 ALA H H 78 9.131 9.131 8.392 0.739 19614 1490 1 4 . 1 1 79 79 ASP N N 79 114.744 114.744 119.630 -4.886 19614 1491 1 4 . 1 1 79 79 ASP HA H 79 4.346 4.346 4.539 -0.193 19614 1492 1 4 . 1 1 79 79 ASP C C 79 178.104 178.104 178.286 -0.182 19614 1493 1 4 . 1 1 79 79 ASP CA C 79 57.088 57.088 56.515 0.573 19614 1494 1 4 . 1 1 79 79 ASP CB C 79 41.728 41.728 41.109 0.619 19614 1495 1 4 . 1 1 79 79 ASP H H 79 7.052 7.052 7.765 -0.713 19614 1496 1 4 . 1 1 80 80 ILE N N 80 119.398 119.398 120.895 -1.497 19614 1497 1 4 . 1 1 80 80 ILE HA H 80 3.592 3.592 3.697 -0.105 19614 1498 1 4 . 1 1 80 80 ILE C C 80 179.567 179.567 178.199 1.368 19614 1499 1 4 . 1 1 80 80 ILE CA C 80 64.201 64.201 65.669 -1.469 19614 1500 1 4 . 1 1 80 80 ILE CB C 80 37.514 37.514 38.082 -0.568 19614 1501 1 4 . 1 1 80 80 ILE H H 80 7.983 7.983 8.249 -0.266 19614 1502 1 4 . 1 1 81 81 LEU N N 81 120.930 120.930 120.405 0.525 19614 1503 1 4 . 1 1 81 81 LEU HA H 81 3.931 3.931 3.854 0.077 19614 1504 1 4 . 1 1 81 81 LEU C C 81 178.312 178.312 178.755 -0.443 19614 1505 1 4 . 1 1 81 81 LEU CA C 81 58.588 58.588 58.960 -0.372 19614 1506 1 4 . 1 1 81 81 LEU CB C 81 41.727 41.727 41.165 0.562 19614 1507 1 4 . 1 1 81 81 LEU H H 81 8.171 8.171 8.377 -0.206 19614 1508 1 4 . 1 1 82 82 GLU N N 82 119.314 119.314 118.635 0.679 19614 1509 1 4 . 1 1 82 82 GLU HA H 82 3.917 3.917 3.976 -0.059 19614 1510 1 4 . 1 1 82 82 GLU C C 82 180.151 180.151 178.866 1.285 19614 1511 1 4 . 1 1 82 82 GLU CA C 82 59.864 59.864 59.192 0.672 19614 1512 1 4 . 1 1 82 82 GLU CB C 82 29.364 29.364 29.582 -0.218 19614 1513 1 4 . 1 1 82 82 GLU H H 82 7.984 7.984 7.689 0.295 19614 1514 1 4 . 1 1 83 83 MET N N 83 118.669 118.669 119.791 -1.122 19614 1515 1 4 . 1 1 83 83 MET HA H 83 4.033 4.033 4.143 -0.110 19614 1516 1 4 . 1 1 83 83 MET C C 83 178.488 178.488 178.393 0.095 19614 1517 1 4 . 1 1 83 83 MET CA C 83 59.083 59.083 59.371 -0.288 19614 1518 1 4 . 1 1 83 83 MET CB C 83 33.883 33.883 32.552 1.331 19614 1519 1 4 . 1 1 83 83 MET H H 83 8.639 8.639 7.691 0.948 19614 1520 1 4 . 1 1 84 84 THR N N 84 118.733 118.733 116.894 1.839 19614 1521 1 4 . 1 1 84 84 THR HA H 84 3.853 3.853 4.007 -0.154 19614 1522 1 4 . 1 1 84 84 THR C C 84 175.659 175.659 176.580 -0.921 19614 1523 1 4 . 1 1 84 84 THR CA C 84 68.029 68.029 66.914 1.115 19614 1524 1 4 . 1 1 84 84 THR CB C 84 67.595 67.595 68.826 -1.230 19614 1525 1 4 . 1 1 84 84 THR H H 84 7.946 7.946 8.117 -0.171 19614 1526 1 4 . 1 1 85 85 VAL N N 85 122.083 122.083 121.428 0.655 19614 1527 1 4 . 1 1 85 85 VAL HA H 85 3.311 3.311 3.670 -0.359 19614 1528 1 4 . 1 1 85 85 VAL C C 85 177.078 177.078 177.799 -0.721 19614 1529 1 4 . 1 1 85 85 VAL CA C 85 67.381 67.381 66.311 1.070 19614 1530 1 4 . 1 1 85 85 VAL CB C 85 32.168 32.168 30.961 1.207 19614 1531 1 4 . 1 1 85 85 VAL H H 85 8.089 8.089 7.748 0.341 19614 1532 1 4 . 1 1 86 86 LYS N N 86 117.409 117.409 119.269 -1.860 19614 1533 1 4 . 1 1 86 86 LYS HA H 86 3.835 3.835 3.980 -0.145 19614 1534 1 4 . 1 1 86 86 LYS C C 86 178.617 178.617 179.076 -0.459 19614 1535 1 4 . 1 1 86 86 LYS CA C 86 60.014 60.014 59.836 0.179 19614 1536 1 4 . 1 1 86 86 LYS CB C 86 32.336 32.336 32.133 0.203 19614 1537 1 4 . 1 1 86 86 LYS H H 86 7.785 7.785 8.649 -0.864 19614 1538 1 4 . 1 1 87 87 HIS N N 87 118.731 118.731 119.925 -1.194 19614 1539 1 4 . 1 1 87 87 HIS HA H 87 4.513 4.513 4.429 0.084 19614 1540 1 4 . 1 1 87 87 HIS C C 87 177.356 177.356 177.157 0.199 19614 1541 1 4 . 1 1 87 87 HIS CA C 87 59.368 59.368 58.790 0.578 19614 1542 1 4 . 1 1 87 87 HIS CB C 87 32.047 32.047 29.909 2.138 19614 1543 1 4 . 1 1 87 87 HIS H H 87 8.055 8.055 8.088 -0.033 19614 1544 1 4 . 1 1 88 88 LEU N N 88 117.189 117.189 120.425 -3.236 19614 1545 1 4 . 1 1 88 88 LEU C C 88 180.158 180.158 178.803 1.355 19614 1546 1 4 . 1 1 88 88 LEU CA C 88 57.927 57.927 57.513 0.414 19614 1547 1 4 . 1 1 88 88 LEU CB C 88 41.748 41.748 41.074 0.674 19614 1548 1 4 . 1 1 88 88 LEU H H 88 8.450 8.450 7.911 0.539 19614 1549 1 4 . 1 1 89 89 ARG N N 89 119.542 119.542 119.503 0.039 19614 1550 1 4 . 1 1 89 89 ARG HA H 89 3.901 3.901 3.969 -0.068 19614 1551 1 4 . 1 1 89 89 ARG C C 89 178.875 178.875 178.778 0.097 19614 1552 1 4 . 1 1 89 89 ARG CA C 89 59.667 59.667 58.440 1.228 19614 1553 1 4 . 1 1 89 89 ARG CB C 89 29.542 29.542 28.965 0.577 19614 1554 1 4 . 1 1 89 89 ARG H H 89 8.616 8.616 8.206 0.410 19614 1555 1 4 . 1 1 90 90 ASN N N 90 118.676 118.676 119.063 -0.387 19614 1556 1 4 . 1 1 90 90 ASN HA H 90 4.478 4.478 4.466 0.012 19614 1557 1 4 . 1 1 90 90 ASN C C 90 177.824 177.824 177.878 -0.054 19614 1558 1 4 . 1 1 90 90 ASN CA C 90 55.393 55.393 55.892 -0.499 19614 1559 1 4 . 1 1 90 90 ASN CB C 90 37.874 37.874 38.094 -0.220 19614 1560 1 4 . 1 1 90 90 ASN H H 90 7.935 7.935 7.973 -0.038 19614 1561 1 4 . 1 1 91 91 LEU N N 91 119.885 119.885 120.245 -0.360 19614 1562 1 4 . 1 1 91 91 LEU HA H 91 4.045 4.045 3.945 0.100 19614 1563 1 4 . 1 1 91 91 LEU C C 91 178.707 178.707 179.653 -0.946 19614 1564 1 4 . 1 1 91 91 LEU CA C 91 56.705 56.705 57.839 -1.134 19614 1565 1 4 . 1 1 91 91 LEU CB C 91 41.918 41.918 41.535 0.383 19614 1566 1 4 . 1 1 91 91 LEU H H 91 7.890 7.890 8.267 -0.377 19614 1567 1 4 . 1 1 92 92 GLN N N 92 118.288 118.288 118.186 0.102 19614 1568 1 4 . 1 1 92 92 GLN HA H 92 4.149 4.149 4.061 0.088 19614 1569 1 4 . 1 1 92 92 GLN C C 92 176.562 176.562 177.981 -1.419 19614 1570 1 4 . 1 1 92 92 GLN CA C 92 57.055 57.055 58.561 -1.506 19614 1571 1 4 . 1 1 92 92 GLN CB C 92 28.937 28.937 28.565 0.372 19614 1572 1 4 . 1 1 92 92 GLN H H 92 7.683 7.683 8.113 -0.430 19614 1573 1 4 . 1 1 93 93 ARG N N 93 119.664 119.664 114.871 4.793 19614 1574 1 4 . 1 1 93 93 ARG HA H 93 4.238 4.238 4.581 -0.343 19614 1575 1 4 . 1 1 93 93 ARG C C 93 175.928 175.928 176.434 -0.506 19614 1576 1 4 . 1 1 93 93 ARG CA C 93 56.467 56.467 55.620 0.847 19614 1577 1 4 . 1 1 93 93 ARG CB C 93 30.459 30.459 29.546 0.913 19614 1578 1 4 . 1 1 93 93 ARG H H 93 7.786 7.786 7.746 0.040 19614 1579 1 4 . 1 1 94 94 ALA N N 94 124.562 124.562 123.756 0.806 19614 1580 1 4 . 1 1 94 94 ALA HA H 94 4.308 4.308 4.231 0.077 19614 1581 1 4 . 1 1 94 94 ALA C C 94 176.753 176.753 176.807 -0.054 19614 1582 1 4 . 1 1 94 94 ALA CA C 94 52.465 52.465 53.279 -0.814 19614 1583 1 4 . 1 1 94 94 ALA CB C 94 19.023 19.023 19.172 -0.149 19614 1584 1 4 . 1 1 94 94 ALA H H 94 8.017 8.017 7.841 0.176 19614 1585 1 5 . 1 1 27 27 LYS HA H 27 4.626 4.626 4.816 -0.190 19614 1586 1 5 . 1 1 27 27 LYS CA C 27 54.410 54.410 54.917 -0.507 19614 1587 1 5 . 1 1 27 27 LYS CB C 27 32.346 32.346 33.365 -1.019 19614 1588 1 5 . 1 1 28 28 PRO HA H 28 4.402 4.402 4.605 -0.203 19614 1589 1 5 . 1 1 28 28 PRO C C 28 176.815 176.815 175.843 0.972 19614 1590 1 5 . 1 1 28 28 PRO CA C 28 62.876 62.876 62.691 0.185 19614 1591 1 5 . 1 1 28 28 PRO CB C 28 32.162 32.162 33.170 -1.008 19614 1592 1 5 . 1 1 29 29 LYS N N 29 122.449 122.449 121.851 0.598 19614 1593 1 5 . 1 1 29 29 LYS HA H 29 4.297 4.297 4.428 -0.131 19614 1594 1 5 . 1 1 29 29 LYS C C 29 176.961 176.961 176.569 0.392 19614 1595 1 5 . 1 1 29 29 LYS CA C 29 56.463 56.463 56.710 -0.247 19614 1596 1 5 . 1 1 29 29 LYS CB C 29 32.816 32.816 33.483 -0.666 19614 1597 1 5 . 1 1 29 29 LYS H H 29 8.586 8.586 8.668 -0.082 19614 1598 1 5 . 1 1 30 30 THR N N 30 115.695 115.695 116.459 -0.764 19614 1599 1 5 . 1 1 30 30 THR HA H 30 4.293 4.293 4.559 -0.266 19614 1600 1 5 . 1 1 30 30 THR C C 30 174.354 174.354 173.033 1.321 19614 1601 1 5 . 1 1 30 30 THR CA C 30 61.555 61.555 61.883 -0.328 19614 1602 1 5 . 1 1 30 30 THR CB C 30 69.949 69.949 69.390 0.559 19614 1603 1 5 . 1 1 30 30 THR H H 30 8.219 8.219 8.081 0.138 19614 1604 1 5 . 1 1 31 31 ALA N N 31 125.923 125.923 124.855 1.068 19614 1605 1 5 . 1 1 31 31 ALA HA H 31 4.312 4.312 4.598 -0.286 19614 1606 1 5 . 1 1 31 31 ALA C C 31 178.014 178.014 177.769 0.245 19614 1607 1 5 . 1 1 31 31 ALA CA C 31 52.781 52.781 51.217 1.564 19614 1608 1 5 . 1 1 31 31 ALA CB C 31 19.125 19.125 18.710 0.415 19614 1609 1 5 . 1 1 31 31 ALA H H 31 8.505 8.505 7.673 0.832 19614 1610 1 5 . 1 1 32 32 SER N N 32 115.249 115.249 119.335 -4.086 19614 1611 1 5 . 1 1 32 32 SER HA H 32 4.338 4.338 4.300 0.038 19614 1612 1 5 . 1 1 32 32 SER C C 32 174.783 174.783 175.777 -0.994 19614 1613 1 5 . 1 1 32 32 SER CA C 32 58.633 58.633 59.332 -0.699 19614 1614 1 5 . 1 1 32 32 SER CB C 32 63.475 63.475 63.790 -0.315 19614 1615 1 5 . 1 1 32 32 SER H H 32 8.365 8.365 8.332 0.033 19614 1616 1 5 . 1 1 33 33 GLU N N 33 122.748 122.748 119.358 3.390 19614 1617 1 5 . 1 1 33 33 GLU HA H 33 4.205 4.205 3.828 0.377 19614 1618 1 5 . 1 1 33 33 GLU C C 33 176.411 176.411 177.329 -0.918 19614 1619 1 5 . 1 1 33 33 GLU CA C 33 56.678 56.678 59.047 -2.369 19614 1620 1 5 . 1 1 33 33 GLU CB C 33 30.241 30.241 27.980 2.261 19614 1621 1 5 . 1 1 33 33 GLU H H 33 8.390 8.390 8.657 -0.267 19614 1622 1 5 . 1 1 34 34 HIS N N 34 120.453 120.453 119.917 0.536 19614 1623 1 5 . 1 1 34 34 HIS HA H 34 4.605 4.605 4.477 0.128 19614 1624 1 5 . 1 1 34 34 HIS C C 34 175.167 175.167 174.466 0.701 19614 1625 1 5 . 1 1 34 34 HIS CA C 34 56.035 56.035 58.106 -2.071 19614 1626 1 5 . 1 1 34 34 HIS CB C 34 29.938 29.938 30.774 -0.836 19614 1627 1 5 . 1 1 34 34 HIS H H 34 8.431 8.431 8.054 0.377 19614 1628 1 5 . 1 1 35 35 ARG N N 35 122.797 122.797 118.555 4.242 19614 1629 1 5 . 1 1 35 35 ARG HA H 35 4.261 4.261 4.489 -0.228 19614 1630 1 5 . 1 1 35 35 ARG C C 35 176.411 176.411 175.406 1.005 19614 1631 1 5 . 1 1 35 35 ARG CA C 35 56.306 56.306 56.571 -0.265 19614 1632 1 5 . 1 1 35 35 ARG CB C 35 30.587 30.587 30.859 -0.272 19614 1633 1 5 . 1 1 35 35 ARG H H 35 8.419 8.419 7.990 0.429 19614 1634 1 5 . 1 1 36 36 LYS N N 36 122.974 122.974 122.850 0.124 19614 1635 1 5 . 1 1 36 36 LYS HA H 36 4.288 4.288 4.517 -0.229 19614 1636 1 5 . 1 1 36 36 LYS C C 36 176.738 176.738 176.665 0.073 19614 1637 1 5 . 1 1 36 36 LYS CA C 36 56.514 56.514 55.618 0.896 19614 1638 1 5 . 1 1 36 36 LYS CB C 36 32.857 32.857 33.279 -0.423 19614 1639 1 5 . 1 1 36 36 LYS H H 36 8.482 8.482 8.450 0.032 19614 1640 1 5 . 1 1 37 37 SER N N 37 117.137 117.137 114.411 2.726 19614 1641 1 5 . 1 1 37 37 SER HA H 37 4.469 4.469 4.218 0.251 19614 1642 1 5 . 1 1 37 37 SER C C 37 174.495 174.495 174.411 0.084 19614 1643 1 5 . 1 1 37 37 SER CA C 37 58.115 58.115 60.351 -2.236 19614 1644 1 5 . 1 1 37 37 SER CB C 37 63.627 63.627 62.493 1.133 19614 1645 1 5 . 1 1 37 37 SER H H 37 8.410 8.410 8.808 -0.398 19614 1646 1 5 . 1 1 38 38 SER N N 38 118.622 118.622 116.638 1.984 19614 1647 1 5 . 1 1 38 38 SER HA H 38 4.467 4.467 4.532 -0.065 19614 1648 1 5 . 1 1 38 38 SER C C 38 174.332 174.332 174.206 0.126 19614 1649 1 5 . 1 1 38 38 SER CA C 38 58.187 58.187 58.635 -0.448 19614 1650 1 5 . 1 1 38 38 SER CB C 38 63.703 63.703 63.864 -0.161 19614 1651 1 5 . 1 1 38 38 SER H H 38 8.456 8.456 7.795 0.661 19614 1652 1 5 . 1 1 39 39 LYS N N 39 124.176 124.176 123.189 0.987 19614 1653 1 5 . 1 1 39 39 LYS HA H 39 4.478 4.478 4.604 -0.126 19614 1654 1 5 . 1 1 39 39 LYS C C 39 174.904 174.904 175.807 -0.903 19614 1655 1 5 . 1 1 39 39 LYS CA C 39 56.707 56.707 54.023 2.684 19614 1656 1 5 . 1 1 39 39 LYS CB C 39 31.595 31.595 32.556 -0.961 19614 1657 1 5 . 1 1 39 39 LYS H H 39 8.489 8.489 7.873 0.616 19614 1658 1 5 . 1 1 40 40 PRO HA H 40 4.401 4.401 4.302 0.099 19614 1659 1 5 . 1 1 40 40 PRO C C 40 178.173 178.173 178.856 -0.683 19614 1660 1 5 . 1 1 40 40 PRO CA C 40 64.315 64.315 65.360 -1.045 19614 1661 1 5 . 1 1 40 40 PRO CB C 40 31.675 31.675 31.865 -0.190 19614 1662 1 5 . 1 1 41 41 ILE N N 41 120.414 120.414 117.444 2.970 19614 1663 1 5 . 1 1 41 41 ILE HA H 41 3.967 3.967 3.890 0.077 19614 1664 1 5 . 1 1 41 41 ILE C C 41 177.393 177.393 177.327 0.066 19614 1665 1 5 . 1 1 41 41 ILE CA C 41 62.575 62.575 64.619 -2.044 19614 1666 1 5 . 1 1 41 41 ILE CB C 41 37.900 37.900 37.903 -0.003 19614 1667 1 5 . 1 1 41 41 ILE H H 41 8.011 8.011 7.947 0.064 19614 1668 1 5 . 1 1 42 42 MET N N 42 122.411 122.411 117.907 4.504 19614 1669 1 5 . 1 1 42 42 MET HA H 42 4.330 4.330 4.287 0.043 19614 1670 1 5 . 1 1 42 42 MET C C 42 178.050 178.050 178.648 -0.598 19614 1671 1 5 . 1 1 42 42 MET CA C 42 56.959 56.959 57.727 -0.768 19614 1672 1 5 . 1 1 42 42 MET CB C 42 32.024 32.024 31.164 0.860 19614 1673 1 5 . 1 1 42 42 MET H H 42 8.335 8.335 7.917 0.418 19614 1674 1 5 . 1 1 43 43 GLU N N 43 121.832 121.832 119.661 2.171 19614 1675 1 5 . 1 1 43 43 GLU HA H 43 4.193 4.193 4.023 0.170 19614 1676 1 5 . 1 1 43 43 GLU C C 43 177.835 177.835 178.688 -0.853 19614 1677 1 5 . 1 1 43 43 GLU CA C 43 58.157 58.157 59.339 -1.182 19614 1678 1 5 . 1 1 43 43 GLU CB C 43 29.543 29.543 28.898 0.645 19614 1679 1 5 . 1 1 43 43 GLU H H 43 8.397 8.397 8.770 -0.373 19614 1680 1 5 . 1 1 44 44 LYS N N 44 121.347 121.347 121.082 0.265 19614 1681 1 5 . 1 1 44 44 LYS HA H 44 4.083 4.083 3.998 0.085 19614 1682 1 5 . 1 1 44 44 LYS C C 44 178.745 178.745 178.990 -0.245 19614 1683 1 5 . 1 1 44 44 LYS CA C 44 58.846 58.846 59.458 -0.612 19614 1684 1 5 . 1 1 44 44 LYS CB C 44 32.493 32.493 32.397 0.096 19614 1685 1 5 . 1 1 44 44 LYS H H 44 8.124 8.124 7.985 0.139 19614 1686 1 5 . 1 1 45 45 ARG N N 45 120.603 120.603 118.312 2.291 19614 1687 1 5 . 1 1 45 45 ARG HA H 45 4.247 4.247 4.008 0.239 19614 1688 1 5 . 1 1 45 45 ARG C C 45 178.025 178.025 178.871 -0.846 19614 1689 1 5 . 1 1 45 45 ARG CA C 45 58.201 58.201 59.564 -1.363 19614 1690 1 5 . 1 1 45 45 ARG CB C 45 29.888 29.888 30.092 -0.204 19614 1691 1 5 . 1 1 45 45 ARG H H 45 8.219 8.219 8.148 0.071 19614 1692 1 5 . 1 1 46 46 ARG N N 46 121.714 121.714 120.080 1.634 19614 1693 1 5 . 1 1 46 46 ARG HA H 46 3.908 3.908 4.035 -0.127 19614 1694 1 5 . 1 1 46 46 ARG C C 46 177.855 177.855 178.234 -0.379 19614 1695 1 5 . 1 1 46 46 ARG CA C 46 59.726 59.726 59.401 0.325 19614 1696 1 5 . 1 1 46 46 ARG CB C 46 30.215 30.215 30.171 0.044 19614 1697 1 5 . 1 1 46 46 ARG H H 46 8.245 8.245 8.041 0.204 19614 1698 1 5 . 1 1 47 47 ARG N N 47 118.469 118.469 119.488 -1.019 19614 1699 1 5 . 1 1 47 47 ARG HA H 47 3.961 3.961 4.027 -0.066 19614 1700 1 5 . 1 1 47 47 ARG C C 47 177.899 177.899 178.150 -0.251 19614 1701 1 5 . 1 1 47 47 ARG CA C 47 58.541 58.541 59.368 -0.827 19614 1702 1 5 . 1 1 47 47 ARG CB C 47 29.704 29.704 30.142 -0.438 19614 1703 1 5 . 1 1 47 47 ARG H H 47 8.233 8.233 8.303 -0.070 19614 1704 1 5 . 1 1 48 48 ALA N N 48 121.720 121.720 121.549 0.171 19614 1705 1 5 . 1 1 48 48 ALA HA H 48 4.205 4.205 3.982 0.223 19614 1706 1 5 . 1 1 48 48 ALA C C 48 180.284 180.284 179.479 0.805 19614 1707 1 5 . 1 1 48 48 ALA CA C 48 54.815 54.815 55.332 -0.517 19614 1708 1 5 . 1 1 48 48 ALA CB C 48 18.025 18.025 18.337 -0.312 19614 1709 1 5 . 1 1 48 48 ALA H H 48 7.962 7.962 8.420 -0.458 19614 1710 1 5 . 1 1 49 49 ARG N N 49 119.603 119.603 118.789 0.814 19614 1711 1 5 . 1 1 49 49 ARG C C 49 179.589 179.589 178.889 0.700 19614 1712 1 5 . 1 1 49 49 ARG CA C 49 59.291 59.291 59.291 -0.000 19614 1713 1 5 . 1 1 49 49 ARG CB C 49 30.993 30.993 30.142 0.851 19614 1714 1 5 . 1 1 49 49 ARG H H 49 8.103 8.103 7.591 0.512 19614 1715 1 5 . 1 1 50 50 ILE N N 50 121.545 121.545 120.838 0.707 19614 1716 1 5 . 1 1 50 50 ILE HA H 50 3.662 3.662 3.532 0.130 19614 1717 1 5 . 1 1 50 50 ILE C C 50 177.372 177.372 177.911 -0.539 19614 1718 1 5 . 1 1 50 50 ILE CA C 50 65.302 65.302 65.533 -0.231 19614 1719 1 5 . 1 1 50 50 ILE CB C 50 38.216 38.216 37.462 0.754 19614 1720 1 5 . 1 1 50 50 ILE H H 50 8.145 8.145 8.469 -0.324 19614 1721 1 5 . 1 1 51 51 ASN N N 51 117.894 117.894 118.037 -0.143 19614 1722 1 5 . 1 1 51 51 ASN HA H 51 4.407 4.407 4.453 -0.046 19614 1723 1 5 . 1 1 51 51 ASN C C 51 178.725 178.725 178.278 0.447 19614 1724 1 5 . 1 1 51 51 ASN CA C 51 56.205 56.205 56.058 0.147 19614 1725 1 5 . 1 1 51 51 ASN CB C 51 37.594 37.594 37.803 -0.209 19614 1726 1 5 . 1 1 51 51 ASN H H 51 8.431 8.431 8.258 0.173 19614 1727 1 5 . 1 1 52 52 GLU N N 52 121.612 121.612 120.325 1.287 19614 1728 1 5 . 1 1 52 52 GLU HA H 52 4.205 4.205 4.106 0.099 19614 1729 1 5 . 1 1 52 52 GLU C C 52 179.243 179.243 179.078 0.165 19614 1730 1 5 . 1 1 52 52 GLU CA C 52 59.291 59.291 59.111 0.180 19614 1731 1 5 . 1 1 52 52 GLU CB C 52 29.101 29.101 29.094 0.007 19614 1732 1 5 . 1 1 52 52 GLU H H 52 8.299 8.299 8.387 -0.088 19614 1733 1 5 . 1 1 53 53 SER N N 53 116.604 116.604 116.052 0.552 19614 1734 1 5 . 1 1 53 53 SER C C 53 176.283 176.283 176.691 -0.408 19614 1735 1 5 . 1 1 53 53 SER CA C 53 63.032 63.032 61.195 1.837 19614 1736 1 5 . 1 1 53 53 SER H H 53 8.254 8.254 8.125 0.129 19614 1737 1 5 . 1 1 54 54 LEU N N 54 121.925 121.925 122.468 -0.543 19614 1738 1 5 . 1 1 54 54 LEU HA H 54 3.962 3.962 3.975 -0.013 19614 1739 1 5 . 1 1 54 54 LEU C C 54 178.897 178.897 178.379 0.518 19614 1740 1 5 . 1 1 54 54 LEU CA C 54 58.116 58.116 57.945 0.171 19614 1741 1 5 . 1 1 54 54 LEU CB C 54 41.576 41.576 42.007 -0.430 19614 1742 1 5 . 1 1 54 54 LEU H H 54 8.693 8.693 8.551 0.142 19614 1743 1 5 . 1 1 55 55 SER N N 55 114.515 114.515 114.990 -0.475 19614 1744 1 5 . 1 1 55 55 SER HA H 55 4.181 4.181 4.090 0.091 19614 1745 1 5 . 1 1 55 55 SER C C 55 177.381 177.381 176.496 0.885 19614 1746 1 5 . 1 1 55 55 SER CA C 55 61.568 61.568 62.636 -1.068 19614 1747 1 5 . 1 1 55 55 SER CB C 55 62.527 62.527 63.037 -0.510 19614 1748 1 5 . 1 1 55 55 SER H H 55 7.823 7.823 8.280 -0.457 19614 1749 1 5 . 1 1 56 56 GLN N N 56 120.605 120.605 121.844 -1.239 19614 1750 1 5 . 1 1 56 56 GLN HA H 56 4.087 4.087 4.167 -0.080 19614 1751 1 5 . 1 1 56 56 GLN C C 56 178.904 178.904 177.827 1.077 19614 1752 1 5 . 1 1 56 56 GLN CA C 56 58.679 58.679 58.284 0.395 19614 1753 1 5 . 1 1 56 56 GLN CB C 56 28.669 28.669 28.431 0.238 19614 1754 1 5 . 1 1 56 56 GLN H H 56 7.886 7.886 7.701 0.185 19614 1755 1 5 . 1 1 57 57 LEU N N 57 120.488 120.488 123.205 -2.717 19614 1756 1 5 . 1 1 57 57 LEU HA H 57 3.953 3.953 3.952 0.001 19614 1757 1 5 . 1 1 57 57 LEU C C 57 177.406 177.406 178.225 -0.819 19614 1758 1 5 . 1 1 57 57 LEU CA C 57 57.957 57.957 58.270 -0.313 19614 1759 1 5 . 1 1 57 57 LEU CB C 57 41.486 41.486 41.543 -0.057 19614 1760 1 5 . 1 1 57 57 LEU H H 57 8.845 8.845 8.626 0.219 19614 1761 1 5 . 1 1 58 58 LYS N N 58 118.053 118.053 115.845 2.208 19614 1762 1 5 . 1 1 58 58 LYS C C 58 176.891 176.891 179.212 -2.321 19614 1763 1 5 . 1 1 58 58 LYS CA C 58 60.535 60.535 59.278 1.257 19614 1764 1 5 . 1 1 58 58 LYS CB C 58 31.903 31.903 31.830 0.073 19614 1765 1 5 . 1 1 58 58 LYS H H 58 8.145 8.145 8.177 -0.032 19614 1766 1 5 . 1 1 59 59 THR N N 59 112.948 112.948 118.315 -5.367 19614 1767 1 5 . 1 1 59 59 THR HA H 59 3.812 3.812 4.152 -0.340 19614 1768 1 5 . 1 1 59 59 THR C C 59 176.273 176.273 176.568 -0.295 19614 1769 1 5 . 1 1 59 59 THR CA C 59 66.367 66.367 67.117 -0.750 19614 1770 1 5 . 1 1 59 59 THR CB C 59 68.902 68.902 68.676 0.226 19614 1771 1 5 . 1 1 59 59 THR H H 59 7.393 7.393 7.596 -0.203 19614 1772 1 5 . 1 1 60 60 LEU N N 60 120.435 120.435 121.236 -0.801 19614 1773 1 5 . 1 1 60 60 LEU HA H 60 4.066 4.066 4.053 0.013 19614 1774 1 5 . 1 1 60 60 LEU C C 60 179.994 179.994 179.040 0.954 19614 1775 1 5 . 1 1 60 60 LEU CA C 60 58.096 58.096 57.784 0.312 19614 1776 1 5 . 1 1 60 60 LEU CB C 60 43.107 43.107 41.455 1.652 19614 1777 1 5 . 1 1 60 60 LEU H H 60 8.005 8.005 8.358 -0.353 19614 1778 1 5 . 1 1 61 61 ILE N N 61 120.041 120.041 119.656 0.385 19614 1779 1 5 . 1 1 61 61 ILE HA H 61 3.934 3.934 3.930 0.004 19614 1780 1 5 . 1 1 61 61 ILE C C 61 176.957 176.957 178.579 -1.622 19614 1781 1 5 . 1 1 61 61 ILE CA C 61 60.979 60.979 63.734 -2.755 19614 1782 1 5 . 1 1 61 61 ILE CB C 61 37.229 37.229 36.925 0.304 19614 1783 1 5 . 1 1 61 61 ILE H H 61 8.847 8.847 7.819 1.028 19614 1784 1 5 . 1 1 62 62 LEU N N 62 121.236 121.236 121.043 0.193 19614 1785 1 5 . 1 1 62 62 LEU HA H 62 3.909 3.909 4.154 -0.245 19614 1786 1 5 . 1 1 62 62 LEU C C 62 179.562 179.562 178.275 1.287 19614 1787 1 5 . 1 1 62 62 LEU CA C 62 58.035 58.035 58.227 -0.192 19614 1788 1 5 . 1 1 62 62 LEU CB C 62 40.219 40.219 42.094 -1.875 19614 1789 1 5 . 1 1 62 62 LEU H H 62 7.944 7.944 8.224 -0.280 19614 1790 1 5 . 1 1 63 63 ASP N N 63 117.983 117.983 119.493 -1.510 19614 1791 1 5 . 1 1 63 63 ASP HA H 63 4.458 4.458 4.378 0.080 19614 1792 1 5 . 1 1 63 63 ASP C C 63 178.858 178.858 177.255 1.603 19614 1793 1 5 . 1 1 63 63 ASP CA C 63 56.964 56.964 57.130 -0.166 19614 1794 1 5 . 1 1 63 63 ASP CB C 63 40.822 40.822 40.936 -0.114 19614 1795 1 5 . 1 1 63 63 ASP H H 63 7.844 7.844 8.303 -0.459 19614 1796 1 5 . 1 1 64 64 ALA N N 64 122.425 122.425 120.134 2.291 19614 1797 1 5 . 1 1 64 64 ALA HA H 64 4.086 4.086 4.207 -0.121 19614 1798 1 5 . 1 1 64 64 ALA C C 64 179.354 179.354 179.341 0.013 19614 1799 1 5 . 1 1 64 64 ALA CA C 64 54.396 54.396 54.637 -0.241 19614 1800 1 5 . 1 1 64 64 ALA CB C 64 17.785 17.785 19.151 -1.366 19614 1801 1 5 . 1 1 64 64 ALA H H 64 7.869 7.869 7.541 0.328 19614 1802 1 5 . 1 1 65 65 LEU N N 65 116.489 116.489 115.716 0.773 19614 1803 1 5 . 1 1 65 65 LEU HA H 65 4.222 4.222 4.257 -0.035 19614 1804 1 5 . 1 1 65 65 LEU C C 65 176.661 176.661 176.659 0.002 19614 1805 1 5 . 1 1 65 65 LEU CA C 65 54.642 54.642 55.035 -0.393 19614 1806 1 5 . 1 1 65 65 LEU CB C 65 41.957 41.957 42.955 -0.998 19614 1807 1 5 . 1 1 65 65 LEU H H 65 7.669 7.669 7.502 0.167 19614 1808 1 5 . 1 1 66 66 LYS N N 66 118.229 118.229 116.994 1.235 19614 1809 1 5 . 1 1 66 66 LYS HA H 66 4.058 4.058 4.024 0.034 19614 1810 1 5 . 1 1 66 66 LYS C C 66 176.651 176.651 176.293 0.358 19614 1811 1 5 . 1 1 66 66 LYS CA C 66 57.100 57.100 57.132 -0.032 19614 1812 1 5 . 1 1 66 66 LYS CB C 66 30.249 30.249 29.511 0.738 19614 1813 1 5 . 1 1 66 66 LYS H H 66 7.806 7.806 8.231 -0.425 19614 1814 1 5 . 1 1 67 67 LYS N N 67 119.380 119.380 118.914 0.466 19614 1815 1 5 . 1 1 67 67 LYS HA H 67 4.278 4.278 4.158 0.120 19614 1816 1 5 . 1 1 67 67 LYS C C 67 176.163 176.163 176.503 -0.340 19614 1817 1 5 . 1 1 67 67 LYS CA C 67 55.658 55.658 58.473 -2.815 19614 1818 1 5 . 1 1 67 67 LYS CB C 67 33.462 33.462 33.226 0.236 19614 1819 1 5 . 1 1 67 67 LYS H H 67 8.249 8.249 8.406 -0.157 19614 1820 1 5 . 1 1 68 68 ASP N N 68 120.812 120.812 114.730 6.082 19614 1821 1 5 . 1 1 68 68 ASP HA H 68 4.601 4.601 4.790 -0.189 19614 1822 1 5 . 1 1 68 68 ASP C C 68 177.001 177.001 175.233 1.768 19614 1823 1 5 . 1 1 68 68 ASP CA C 68 54.192 54.192 53.733 0.459 19614 1824 1 5 . 1 1 68 68 ASP CB C 68 41.383 41.383 43.939 -2.556 19614 1825 1 5 . 1 1 68 68 ASP H H 68 8.350 8.350 7.763 0.587 19614 1826 1 5 . 1 1 69 69 SER N N 69 119.061 119.061 116.675 2.386 19614 1827 1 5 . 1 1 69 69 SER HA H 69 4.199 4.199 4.316 -0.117 19614 1828 1 5 . 1 1 69 69 SER C C 69 175.643 175.643 176.178 -0.535 19614 1829 1 5 . 1 1 69 69 SER CA C 69 59.636 59.636 60.597 -0.961 19614 1830 1 5 . 1 1 69 69 SER CB C 69 63.237 63.237 63.541 -0.304 19614 1831 1 5 . 1 1 69 69 SER H H 69 8.608 8.608 8.661 -0.053 19614 1832 1 5 . 1 1 70 70 SER N N 70 118.325 118.325 118.205 0.120 19614 1833 1 5 . 1 1 70 70 SER HA H 70 4.335 4.335 4.289 0.046 19614 1834 1 5 . 1 1 70 70 SER C C 70 175.275 175.275 176.409 -1.134 19614 1835 1 5 . 1 1 70 70 SER CA C 70 59.700 59.700 61.577 -1.877 19614 1836 1 5 . 1 1 70 70 SER CB C 70 63.243 63.243 62.804 0.439 19614 1837 1 5 . 1 1 70 70 SER H H 70 8.514 8.514 8.793 -0.279 19614 1838 1 5 . 1 1 71 71 ARG N N 71 121.317 121.317 119.521 1.796 19614 1839 1 5 . 1 1 71 71 ARG HA H 71 4.231 4.231 4.306 -0.075 19614 1840 1 5 . 1 1 71 71 ARG C C 71 176.223 176.223 178.672 -2.449 19614 1841 1 5 . 1 1 71 71 ARG CA C 71 56.368 56.368 57.994 -1.626 19614 1842 1 5 . 1 1 71 71 ARG CB C 71 30.148 30.148 29.194 0.955 19614 1843 1 5 . 1 1 71 71 ARG H H 71 7.965 7.965 8.532 -0.567 19614 1844 1 5 . 1 1 72 72 HIS N N 72 118.894 118.894 119.324 -0.430 19614 1845 1 5 . 1 1 72 72 HIS HA H 72 4.663 4.663 4.441 0.222 19614 1846 1 5 . 1 1 72 72 HIS C C 72 175.122 175.122 176.027 -0.905 19614 1847 1 5 . 1 1 72 72 HIS CA C 72 55.935 55.935 59.173 -3.238 19614 1848 1 5 . 1 1 72 72 HIS CB C 72 29.974 29.974 29.912 0.062 19614 1849 1 5 . 1 1 72 72 HIS H H 72 8.036 8.036 7.789 0.247 19614 1850 1 5 . 1 1 73 73 SER N N 73 116.302 116.302 114.714 1.588 19614 1851 1 5 . 1 1 73 73 SER HA H 73 4.313 4.313 4.521 -0.208 19614 1852 1 5 . 1 1 73 73 SER C C 73 174.559 174.559 174.137 0.422 19614 1853 1 5 . 1 1 73 73 SER CA C 73 59.297 59.297 59.839 -0.542 19614 1854 1 5 . 1 1 73 73 SER CB C 73 63.522 63.522 62.967 0.555 19614 1855 1 5 . 1 1 73 73 SER H H 73 8.029 8.029 7.875 0.154 19614 1856 1 5 . 1 1 74 74 LYS N N 74 122.545 122.545 121.232 1.313 19614 1857 1 5 . 1 1 74 74 LYS HA H 74 4.336 4.336 4.469 -0.133 19614 1858 1 5 . 1 1 74 74 LYS C C 74 175.929 175.929 175.004 0.925 19614 1859 1 5 . 1 1 74 74 LYS CA C 74 55.918 55.918 54.796 1.122 19614 1860 1 5 . 1 1 74 74 LYS CB C 74 32.143 32.143 32.517 -0.374 19614 1861 1 5 . 1 1 74 74 LYS H H 74 8.394 8.394 7.316 1.078 19614 1862 1 5 . 1 1 75 75 LEU N N 75 123.393 123.393 122.757 0.636 19614 1863 1 5 . 1 1 75 75 LEU HA H 75 4.402 4.402 4.234 0.168 19614 1864 1 5 . 1 1 75 75 LEU C C 75 176.575 176.575 176.569 0.006 19614 1865 1 5 . 1 1 75 75 LEU CA C 75 54.697 54.697 54.808 -0.111 19614 1866 1 5 . 1 1 75 75 LEU CB C 75 43.481 43.481 41.784 1.697 19614 1867 1 5 . 1 1 75 75 LEU H H 75 7.943 7.943 7.322 0.621 19614 1868 1 5 . 1 1 76 76 GLU N N 76 123.357 123.357 123.170 0.187 19614 1869 1 5 . 1 1 76 76 GLU HA H 76 4.551 4.551 4.392 0.159 19614 1870 1 5 . 1 1 76 76 GLU C C 76 177.445 177.445 176.945 0.500 19614 1871 1 5 . 1 1 76 76 GLU CA C 76 54.962 54.962 55.298 -0.336 19614 1872 1 5 . 1 1 76 76 GLU CB C 76 31.245 31.245 30.637 0.608 19614 1873 1 5 . 1 1 76 76 GLU H H 76 9.136 9.136 8.357 0.779 19614 1874 1 5 . 1 1 77 77 LYS N N 77 122.655 122.655 124.627 -1.972 19614 1875 1 5 . 1 1 77 77 LYS HA H 77 3.830 3.830 3.861 -0.031 19614 1876 1 5 . 1 1 77 77 LYS C C 77 177.908 177.908 178.241 -0.333 19614 1877 1 5 . 1 1 77 77 LYS CA C 77 61.105 61.105 60.149 0.956 19614 1878 1 5 . 1 1 77 77 LYS CB C 77 32.423 32.423 32.309 0.114 19614 1879 1 5 . 1 1 77 77 LYS H H 77 8.858 8.858 8.918 -0.060 19614 1880 1 5 . 1 1 78 78 ALA N N 78 118.008 118.008 118.776 -0.768 19614 1881 1 5 . 1 1 78 78 ALA HA H 78 3.892 3.892 4.182 -0.290 19614 1882 1 5 . 1 1 78 78 ALA C C 78 179.758 179.758 179.491 0.267 19614 1883 1 5 . 1 1 78 78 ALA CA C 78 55.456 55.456 54.582 0.874 19614 1884 1 5 . 1 1 78 78 ALA CB C 78 17.839 17.839 17.843 -0.004 19614 1885 1 5 . 1 1 78 78 ALA H H 78 9.131 9.131 8.421 0.710 19614 1886 1 5 . 1 1 79 79 ASP N N 79 114.744 114.744 120.096 -5.352 19614 1887 1 5 . 1 1 79 79 ASP HA H 79 4.346 4.346 4.463 -0.117 19614 1888 1 5 . 1 1 79 79 ASP C C 79 178.104 178.104 178.282 -0.178 19614 1889 1 5 . 1 1 79 79 ASP CA C 79 57.088 57.088 56.829 0.259 19614 1890 1 5 . 1 1 79 79 ASP CB C 79 41.728 41.728 41.047 0.681 19614 1891 1 5 . 1 1 79 79 ASP H H 79 7.052 7.052 7.655 -0.603 19614 1892 1 5 . 1 1 80 80 ILE N N 80 119.398 119.398 120.694 -1.296 19614 1893 1 5 . 1 1 80 80 ILE HA H 80 3.592 3.592 3.546 0.045 19614 1894 1 5 . 1 1 80 80 ILE C C 80 179.567 179.567 178.243 1.324 19614 1895 1 5 . 1 1 80 80 ILE CA C 80 64.201 64.201 65.750 -1.549 19614 1896 1 5 . 1 1 80 80 ILE CB C 80 37.514 37.514 37.821 -0.307 19614 1897 1 5 . 1 1 80 80 ILE H H 80 7.983 7.983 8.255 -0.272 19614 1898 1 5 . 1 1 81 81 LEU N N 81 120.930 120.930 119.887 1.043 19614 1899 1 5 . 1 1 81 81 LEU HA H 81 3.931 3.931 3.826 0.105 19614 1900 1 5 . 1 1 81 81 LEU C C 81 178.312 178.312 178.706 -0.394 19614 1901 1 5 . 1 1 81 81 LEU CA C 81 58.588 58.588 58.828 -0.240 19614 1902 1 5 . 1 1 81 81 LEU CB C 81 41.727 41.727 41.177 0.550 19614 1903 1 5 . 1 1 81 81 LEU H H 81 8.171 8.171 8.002 0.169 19614 1904 1 5 . 1 1 82 82 GLU N N 82 119.314 119.314 119.134 0.180 19614 1905 1 5 . 1 1 82 82 GLU HA H 82 3.917 3.917 3.907 0.010 19614 1906 1 5 . 1 1 82 82 GLU C C 82 180.151 180.151 178.928 1.223 19614 1907 1 5 . 1 1 82 82 GLU CA C 82 59.864 59.864 59.278 0.586 19614 1908 1 5 . 1 1 82 82 GLU CB C 82 29.364 29.364 29.504 -0.140 19614 1909 1 5 . 1 1 82 82 GLU H H 82 7.984 7.984 7.748 0.236 19614 1910 1 5 . 1 1 83 83 MET N N 83 118.669 118.669 119.330 -0.661 19614 1911 1 5 . 1 1 83 83 MET HA H 83 4.033 4.033 4.039 -0.006 19614 1912 1 5 . 1 1 83 83 MET C C 83 178.488 178.488 177.848 0.640 19614 1913 1 5 . 1 1 83 83 MET CA C 83 59.083 59.083 59.241 -0.158 19614 1914 1 5 . 1 1 83 83 MET CB C 83 33.883 33.883 32.435 1.448 19614 1915 1 5 . 1 1 83 83 MET H H 83 8.639 8.639 8.125 0.514 19614 1916 1 5 . 1 1 84 84 THR N N 84 118.733 118.733 116.973 1.760 19614 1917 1 5 . 1 1 84 84 THR HA H 84 3.853 3.853 3.963 -0.110 19614 1918 1 5 . 1 1 84 84 THR C C 84 175.659 175.659 176.679 -1.020 19614 1919 1 5 . 1 1 84 84 THR CA C 84 68.029 68.029 67.255 0.774 19614 1920 1 5 . 1 1 84 84 THR CB C 84 67.595 67.595 68.499 -0.904 19614 1921 1 5 . 1 1 84 84 THR H H 84 7.946 7.946 7.874 0.072 19614 1922 1 5 . 1 1 85 85 VAL N N 85 122.083 122.083 121.537 0.546 19614 1923 1 5 . 1 1 85 85 VAL HA H 85 3.311 3.311 3.616 -0.305 19614 1924 1 5 . 1 1 85 85 VAL C C 85 177.078 177.078 177.465 -0.387 19614 1925 1 5 . 1 1 85 85 VAL CA C 85 67.381 67.381 66.901 0.479 19614 1926 1 5 . 1 1 85 85 VAL CB C 85 32.168 32.168 31.227 0.940 19614 1927 1 5 . 1 1 85 85 VAL H H 85 8.089 8.089 8.103 -0.014 19614 1928 1 5 . 1 1 86 86 LYS N N 86 117.409 117.409 119.640 -2.231 19614 1929 1 5 . 1 1 86 86 LYS HA H 86 3.835 3.835 4.011 -0.176 19614 1930 1 5 . 1 1 86 86 LYS C C 86 178.617 178.617 179.265 -0.648 19614 1931 1 5 . 1 1 86 86 LYS CA C 86 60.014 60.014 59.861 0.152 19614 1932 1 5 . 1 1 86 86 LYS CB C 86 32.336 32.336 32.207 0.129 19614 1933 1 5 . 1 1 86 86 LYS H H 86 7.785 7.785 8.370 -0.585 19614 1934 1 5 . 1 1 87 87 HIS N N 87 118.731 118.731 119.006 -0.275 19614 1935 1 5 . 1 1 87 87 HIS HA H 87 4.513 4.513 4.327 0.186 19614 1936 1 5 . 1 1 87 87 HIS C C 87 177.356 177.356 177.630 -0.274 19614 1937 1 5 . 1 1 87 87 HIS CA C 87 59.368 59.368 58.126 1.242 19614 1938 1 5 . 1 1 87 87 HIS CB C 87 32.047 32.047 30.055 1.992 19614 1939 1 5 . 1 1 87 87 HIS H H 87 8.055 8.055 8.176 -0.121 19614 1940 1 5 . 1 1 88 88 LEU N N 88 117.189 117.189 121.750 -4.561 19614 1941 1 5 . 1 1 88 88 LEU C C 88 180.158 180.158 178.473 1.685 19614 1942 1 5 . 1 1 88 88 LEU CA C 88 57.927 57.927 58.186 -0.259 19614 1943 1 5 . 1 1 88 88 LEU CB C 88 41.748 41.748 41.647 0.102 19614 1944 1 5 . 1 1 88 88 LEU H H 88 8.450 8.450 8.273 0.177 19614 1945 1 5 . 1 1 89 89 ARG N N 89 119.542 119.542 118.993 0.549 19614 1946 1 5 . 1 1 89 89 ARG HA H 89 3.901 3.901 3.918 -0.017 19614 1947 1 5 . 1 1 89 89 ARG C C 89 178.875 178.875 178.840 0.035 19614 1948 1 5 . 1 1 89 89 ARG CA C 89 59.667 59.667 59.335 0.332 19614 1949 1 5 . 1 1 89 89 ARG CB C 89 29.542 29.542 29.330 0.212 19614 1950 1 5 . 1 1 89 89 ARG H H 89 8.616 8.616 7.911 0.705 19614 1951 1 5 . 1 1 90 90 ASN N N 90 118.676 118.676 118.262 0.414 19614 1952 1 5 . 1 1 90 90 ASN HA H 90 4.478 4.478 4.434 0.044 19614 1953 1 5 . 1 1 90 90 ASN C C 90 177.824 177.824 177.461 0.363 19614 1954 1 5 . 1 1 90 90 ASN CA C 90 55.393 55.393 55.743 -0.350 19614 1955 1 5 . 1 1 90 90 ASN CB C 90 37.874 37.874 38.182 -0.308 19614 1956 1 5 . 1 1 90 90 ASN H H 90 7.935 7.935 7.807 0.128 19614 1957 1 5 . 1 1 91 91 LEU N N 91 119.885 119.885 118.710 1.175 19614 1958 1 5 . 1 1 91 91 LEU HA H 91 4.045 4.045 4.188 -0.143 19614 1959 1 5 . 1 1 91 91 LEU C C 91 178.707 178.707 178.688 0.019 19614 1960 1 5 . 1 1 91 91 LEU CA C 91 56.705 56.705 56.573 0.132 19614 1961 1 5 . 1 1 91 91 LEU CB C 91 41.918 41.918 41.735 0.183 19614 1962 1 5 . 1 1 91 91 LEU H H 91 7.890 7.890 8.351 -0.461 19614 1963 1 5 . 1 1 92 92 GLN N N 92 118.288 118.288 118.409 -0.121 19614 1964 1 5 . 1 1 92 92 GLN HA H 92 4.149 4.149 4.128 0.021 19614 1965 1 5 . 1 1 92 92 GLN C C 92 176.562 176.562 177.993 -1.431 19614 1966 1 5 . 1 1 92 92 GLN CA C 92 57.055 57.055 58.503 -1.448 19614 1967 1 5 . 1 1 92 92 GLN CB C 92 28.937 28.937 29.173 -0.236 19614 1968 1 5 . 1 1 92 92 GLN H H 92 7.683 7.683 8.263 -0.580 19614 1969 1 5 . 1 1 93 93 ARG N N 93 119.664 119.664 117.154 2.510 19614 1970 1 5 . 1 1 93 93 ARG HA H 93 4.238 4.238 4.462 -0.224 19614 1971 1 5 . 1 1 93 93 ARG C C 93 175.928 175.928 176.431 -0.503 19614 1972 1 5 . 1 1 93 93 ARG CA C 93 56.467 56.467 56.531 -0.064 19614 1973 1 5 . 1 1 93 93 ARG CB C 93 30.459 30.459 29.197 1.262 19614 1974 1 5 . 1 1 93 93 ARG H H 93 7.786 7.786 8.095 -0.308 19614 1975 1 5 . 1 1 94 94 ALA N N 94 124.562 124.562 121.544 3.018 19614 1976 1 5 . 1 1 94 94 ALA HA H 94 4.308 4.308 4.289 0.019 19614 1977 1 5 . 1 1 94 94 ALA C C 94 176.753 176.753 176.623 0.130 19614 1978 1 5 . 1 1 94 94 ALA CA C 94 52.465 52.465 52.852 -0.387 19614 1979 1 5 . 1 1 94 94 ALA CB C 94 19.023 19.023 18.744 0.279 19614 1980 1 5 . 1 1 94 94 ALA H H 94 8.017 8.017 8.378 -0.361 19614 1981 1 6 . 1 1 27 27 LYS HA H 27 4.626 4.626 4.671 -0.045 19614 1982 1 6 . 1 1 27 27 LYS CA C 27 54.410 54.410 54.851 -0.441 19614 1983 1 6 . 1 1 27 27 LYS CB C 27 32.346 32.346 33.562 -1.216 19614 1984 1 6 . 1 1 28 28 PRO HA H 28 4.402 4.402 4.425 -0.023 19614 1985 1 6 . 1 1 28 28 PRO C C 28 176.815 176.815 176.142 0.673 19614 1986 1 6 . 1 1 28 28 PRO CA C 28 62.876 62.876 62.538 0.338 19614 1987 1 6 . 1 1 28 28 PRO CB C 28 32.162 32.162 30.845 1.317 19614 1988 1 6 . 1 1 29 29 LYS N N 29 122.449 122.449 118.860 3.589 19614 1989 1 6 . 1 1 29 29 LYS HA H 29 4.297 4.297 4.019 0.278 19614 1990 1 6 . 1 1 29 29 LYS C C 29 176.961 176.961 177.248 -0.287 19614 1991 1 6 . 1 1 29 29 LYS CA C 29 56.463 56.463 57.063 -0.600 19614 1992 1 6 . 1 1 29 29 LYS CB C 29 32.816 32.816 31.869 0.947 19614 1993 1 6 . 1 1 29 29 LYS H H 29 8.586 8.586 7.943 0.643 19614 1994 1 6 . 1 1 30 30 THR N N 30 115.695 115.695 114.095 1.600 19614 1995 1 6 . 1 1 30 30 THR HA H 30 4.293 4.293 3.918 0.375 19614 1996 1 6 . 1 1 30 30 THR C C 30 174.354 174.354 174.995 -0.641 19614 1997 1 6 . 1 1 30 30 THR CA C 30 61.555 61.555 64.443 -2.888 19614 1998 1 6 . 1 1 30 30 THR CB C 30 69.949 69.949 68.362 1.587 19614 1999 1 6 . 1 1 30 30 THR H H 30 8.219 8.219 8.864 -0.645 19614 2000 1 6 . 1 1 31 31 ALA N N 31 125.923 125.923 122.225 3.698 19614 2001 1 6 . 1 1 31 31 ALA HA H 31 4.312 4.312 3.988 0.324 19614 2002 1 6 . 1 1 31 31 ALA C C 31 178.014 178.014 176.334 1.680 19614 2003 1 6 . 1 1 31 31 ALA CA C 31 52.781 52.781 53.633 -0.852 19614 2004 1 6 . 1 1 31 31 ALA CB C 31 19.125 19.125 18.621 0.504 19614 2005 1 6 . 1 1 31 31 ALA H H 31 8.505 8.505 8.117 0.388 19614 2006 1 6 . 1 1 32 32 SER N N 32 115.249 115.249 114.623 0.626 19614 2007 1 6 . 1 1 32 32 SER HA H 32 4.338 4.338 4.686 -0.348 19614 2008 1 6 . 1 1 32 32 SER C C 32 174.783 174.783 174.007 0.776 19614 2009 1 6 . 1 1 32 32 SER CA C 32 58.633 58.633 57.706 0.927 19614 2010 1 6 . 1 1 32 32 SER CB C 32 63.475 63.475 65.832 -2.357 19614 2011 1 6 . 1 1 32 32 SER H H 32 8.365 8.365 7.819 0.546 19614 2012 1 6 . 1 1 33 33 GLU N N 33 122.748 122.748 123.075 -0.327 19614 2013 1 6 . 1 1 33 33 GLU HA H 33 4.205 4.205 4.441 -0.236 19614 2014 1 6 . 1 1 33 33 GLU C C 33 176.411 176.411 176.012 0.399 19614 2015 1 6 . 1 1 33 33 GLU CA C 33 56.678 56.678 56.309 0.369 19614 2016 1 6 . 1 1 33 33 GLU CB C 33 30.241 30.241 30.319 -0.078 19614 2017 1 6 . 1 1 33 33 GLU H H 33 8.390 8.390 8.725 -0.335 19614 2018 1 6 . 1 1 34 34 HIS N N 34 120.453 120.453 118.362 2.091 19614 2019 1 6 . 1 1 34 34 HIS HA H 34 4.605 4.605 4.682 -0.077 19614 2020 1 6 . 1 1 34 34 HIS C C 34 175.167 175.167 175.709 -0.542 19614 2021 1 6 . 1 1 34 34 HIS CA C 34 56.035 56.035 54.757 1.278 19614 2022 1 6 . 1 1 34 34 HIS CB C 34 29.938 29.938 32.548 -2.610 19614 2023 1 6 . 1 1 34 34 HIS H H 34 8.431 8.431 7.629 0.802 19614 2024 1 6 . 1 1 35 35 ARG N N 35 122.797 122.797 118.801 3.996 19614 2025 1 6 . 1 1 35 35 ARG HA H 35 4.261 4.261 4.153 0.108 19614 2026 1 6 . 1 1 35 35 ARG C C 35 176.411 176.411 176.443 -0.032 19614 2027 1 6 . 1 1 35 35 ARG CA C 35 56.306 56.306 57.621 -1.315 19614 2028 1 6 . 1 1 35 35 ARG CB C 35 30.587 30.587 30.485 0.102 19614 2029 1 6 . 1 1 35 35 ARG H H 35 8.419 8.419 8.009 0.410 19614 2030 1 6 . 1 1 36 36 LYS N N 36 122.974 122.974 118.318 4.656 19614 2031 1 6 . 1 1 36 36 LYS HA H 36 4.288 4.288 4.554 -0.266 19614 2032 1 6 . 1 1 36 36 LYS C C 36 176.738 176.738 174.166 2.572 19614 2033 1 6 . 1 1 36 36 LYS CA C 36 56.514 56.514 56.764 -0.250 19614 2034 1 6 . 1 1 36 36 LYS CB C 36 32.857 32.857 35.149 -2.292 19614 2035 1 6 . 1 1 36 36 LYS H H 36 8.482 8.482 7.492 0.990 19614 2036 1 6 . 1 1 37 37 SER N N 37 117.137 117.137 118.583 -1.446 19614 2037 1 6 . 1 1 37 37 SER HA H 37 4.469 4.469 4.858 -0.389 19614 2038 1 6 . 1 1 37 37 SER C C 37 174.495 174.495 172.594 1.901 19614 2039 1 6 . 1 1 37 37 SER CA C 37 58.115 58.115 57.322 0.793 19614 2040 1 6 . 1 1 37 37 SER CB C 37 63.627 63.627 64.495 -0.868 19614 2041 1 6 . 1 1 37 37 SER H H 37 8.410 8.410 8.612 -0.202 19614 2042 1 6 . 1 1 38 38 SER N N 38 118.622 118.622 116.533 2.089 19614 2043 1 6 . 1 1 38 38 SER HA H 38 4.467 4.467 4.598 -0.131 19614 2044 1 6 . 1 1 38 38 SER C C 38 174.332 174.332 175.027 -0.695 19614 2045 1 6 . 1 1 38 38 SER CA C 38 58.187 58.187 58.903 -0.716 19614 2046 1 6 . 1 1 38 38 SER CB C 38 63.703 63.703 63.992 -0.289 19614 2047 1 6 . 1 1 38 38 SER H H 38 8.456 8.456 8.749 -0.293 19614 2048 1 6 . 1 1 39 39 LYS N N 39 124.176 124.176 121.847 2.329 19614 2049 1 6 . 1 1 39 39 LYS HA H 39 4.478 4.478 4.630 -0.152 19614 2050 1 6 . 1 1 39 39 LYS C C 39 174.904 174.904 174.982 -0.078 19614 2051 1 6 . 1 1 39 39 LYS CA C 39 56.707 56.707 53.186 3.521 19614 2052 1 6 . 1 1 39 39 LYS CB C 39 31.595 31.595 31.222 0.373 19614 2053 1 6 . 1 1 39 39 LYS H H 39 8.489 8.489 7.843 0.646 19614 2054 1 6 . 1 1 40 40 PRO HA H 40 4.401 4.401 4.413 -0.012 19614 2055 1 6 . 1 1 40 40 PRO C C 40 178.173 178.173 178.240 -0.067 19614 2056 1 6 . 1 1 40 40 PRO CA C 40 64.315 64.315 64.346 -0.030 19614 2057 1 6 . 1 1 40 40 PRO CB C 40 31.675 31.675 32.375 -0.700 19614 2058 1 6 . 1 1 41 41 ILE N N 41 120.414 120.414 118.010 2.404 19614 2059 1 6 . 1 1 41 41 ILE HA H 41 3.967 3.967 4.055 -0.088 19614 2060 1 6 . 1 1 41 41 ILE C C 41 177.393 177.393 177.162 0.231 19614 2061 1 6 . 1 1 41 41 ILE CA C 41 62.575 62.575 63.937 -1.362 19614 2062 1 6 . 1 1 41 41 ILE CB C 41 37.900 37.900 37.925 -0.025 19614 2063 1 6 . 1 1 41 41 ILE H H 41 8.011 8.011 7.813 0.198 19614 2064 1 6 . 1 1 42 42 MET N N 42 122.411 122.411 117.425 4.986 19614 2065 1 6 . 1 1 42 42 MET HA H 42 4.330 4.330 4.248 0.082 19614 2066 1 6 . 1 1 42 42 MET C C 42 178.050 178.050 178.192 -0.142 19614 2067 1 6 . 1 1 42 42 MET CA C 42 56.959 56.959 58.018 -1.059 19614 2068 1 6 . 1 1 42 42 MET CB C 42 32.024 32.024 30.901 1.123 19614 2069 1 6 . 1 1 42 42 MET H H 42 8.335 8.335 8.247 0.088 19614 2070 1 6 . 1 1 43 43 GLU N N 43 121.832 121.832 118.913 2.919 19614 2071 1 6 . 1 1 43 43 GLU HA H 43 4.193 4.193 4.043 0.150 19614 2072 1 6 . 1 1 43 43 GLU C C 43 177.835 177.835 178.629 -0.794 19614 2073 1 6 . 1 1 43 43 GLU CA C 43 58.157 58.157 59.083 -0.926 19614 2074 1 6 . 1 1 43 43 GLU CB C 43 29.543 29.543 28.738 0.804 19614 2075 1 6 . 1 1 43 43 GLU H H 43 8.397 8.397 8.162 0.235 19614 2076 1 6 . 1 1 44 44 LYS N N 44 121.347 121.347 120.998 0.349 19614 2077 1 6 . 1 1 44 44 LYS HA H 44 4.083 4.083 4.075 0.008 19614 2078 1 6 . 1 1 44 44 LYS C C 44 178.745 178.745 179.053 -0.308 19614 2079 1 6 . 1 1 44 44 LYS CA C 44 58.846 58.846 58.476 0.370 19614 2080 1 6 . 1 1 44 44 LYS CB C 44 32.493 32.493 32.271 0.222 19614 2081 1 6 . 1 1 44 44 LYS H H 44 8.124 8.124 7.610 0.514 19614 2082 1 6 . 1 1 45 45 ARG N N 45 120.603 120.603 119.078 1.525 19614 2083 1 6 . 1 1 45 45 ARG HA H 45 4.247 4.247 3.951 0.296 19614 2084 1 6 . 1 1 45 45 ARG C C 45 178.025 178.025 178.566 -0.541 19614 2085 1 6 . 1 1 45 45 ARG CA C 45 58.201 58.201 59.827 -1.626 19614 2086 1 6 . 1 1 45 45 ARG CB C 45 29.888 29.888 30.156 -0.268 19614 2087 1 6 . 1 1 45 45 ARG H H 45 8.219 8.219 8.323 -0.104 19614 2088 1 6 . 1 1 46 46 ARG N N 46 121.714 121.714 119.871 1.843 19614 2089 1 6 . 1 1 46 46 ARG HA H 46 3.908 3.908 3.955 -0.047 19614 2090 1 6 . 1 1 46 46 ARG C C 46 177.855 177.855 178.236 -0.381 19614 2091 1 6 . 1 1 46 46 ARG CA C 46 59.726 59.726 59.412 0.314 19614 2092 1 6 . 1 1 46 46 ARG CB C 46 30.215 30.215 30.104 0.111 19614 2093 1 6 . 1 1 46 46 ARG H H 46 8.245 8.245 8.219 0.026 19614 2094 1 6 . 1 1 47 47 ARG N N 47 118.469 118.469 118.900 -0.431 19614 2095 1 6 . 1 1 47 47 ARG HA H 47 3.961 3.961 3.992 -0.031 19614 2096 1 6 . 1 1 47 47 ARG C C 47 177.899 177.899 178.115 -0.216 19614 2097 1 6 . 1 1 47 47 ARG CA C 47 58.541 58.541 59.369 -0.828 19614 2098 1 6 . 1 1 47 47 ARG CB C 47 29.704 29.704 30.086 -0.382 19614 2099 1 6 . 1 1 47 47 ARG H H 47 8.233 8.233 8.284 -0.051 19614 2100 1 6 . 1 1 48 48 ALA N N 48 121.720 121.720 121.744 -0.024 19614 2101 1 6 . 1 1 48 48 ALA HA H 48 4.205 4.205 4.039 0.166 19614 2102 1 6 . 1 1 48 48 ALA C C 48 180.284 180.284 179.532 0.752 19614 2103 1 6 . 1 1 48 48 ALA CA C 48 54.815 54.815 55.151 -0.337 19614 2104 1 6 . 1 1 48 48 ALA CB C 48 18.025 18.025 18.015 0.010 19614 2105 1 6 . 1 1 48 48 ALA H H 48 7.962 7.962 7.716 0.246 19614 2106 1 6 . 1 1 49 49 ARG N N 49 119.603 119.603 119.021 0.582 19614 2107 1 6 . 1 1 49 49 ARG C C 49 179.589 179.589 178.571 1.018 19614 2108 1 6 . 1 1 49 49 ARG CA C 49 59.291 59.291 58.715 0.576 19614 2109 1 6 . 1 1 49 49 ARG CB C 49 30.993 30.993 30.156 0.837 19614 2110 1 6 . 1 1 49 49 ARG H H 49 8.103 8.103 7.612 0.491 19614 2111 1 6 . 1 1 50 50 ILE N N 50 121.545 121.545 121.366 0.179 19614 2112 1 6 . 1 1 50 50 ILE HA H 50 3.662 3.662 3.553 0.109 19614 2113 1 6 . 1 1 50 50 ILE C C 50 177.372 177.372 177.758 -0.386 19614 2114 1 6 . 1 1 50 50 ILE CA C 50 65.302 65.302 65.755 -0.453 19614 2115 1 6 . 1 1 50 50 ILE CB C 50 38.216 38.216 37.514 0.702 19614 2116 1 6 . 1 1 50 50 ILE H H 50 8.145 8.145 8.375 -0.230 19614 2117 1 6 . 1 1 51 51 ASN N N 51 117.894 117.894 118.130 -0.236 19614 2118 1 6 . 1 1 51 51 ASN HA H 51 4.407 4.407 4.411 -0.004 19614 2119 1 6 . 1 1 51 51 ASN C C 51 178.725 178.725 178.057 0.668 19614 2120 1 6 . 1 1 51 51 ASN CA C 51 56.205 56.205 56.213 -0.008 19614 2121 1 6 . 1 1 51 51 ASN CB C 51 37.594 37.594 37.756 -0.162 19614 2122 1 6 . 1 1 51 51 ASN H H 51 8.431 8.431 8.137 0.294 19614 2123 1 6 . 1 1 52 52 GLU N N 52 121.612 121.612 120.800 0.812 19614 2124 1 6 . 1 1 52 52 GLU HA H 52 4.205 4.205 3.984 0.221 19614 2125 1 6 . 1 1 52 52 GLU C C 52 179.243 179.243 179.224 0.019 19614 2126 1 6 . 1 1 52 52 GLU CA C 52 59.291 59.291 59.657 -0.366 19614 2127 1 6 . 1 1 52 52 GLU CB C 52 29.101 29.101 29.456 -0.355 19614 2128 1 6 . 1 1 52 52 GLU H H 52 8.299 8.299 8.728 -0.429 19614 2129 1 6 . 1 1 53 53 SER N N 53 116.604 116.604 116.100 0.504 19614 2130 1 6 . 1 1 53 53 SER C C 53 176.283 176.283 176.377 -0.094 19614 2131 1 6 . 1 1 53 53 SER CA C 53 63.032 63.032 62.008 1.024 19614 2132 1 6 . 1 1 53 53 SER H H 53 8.254 8.254 7.798 0.456 19614 2133 1 6 . 1 1 54 54 LEU N N 54 121.925 121.925 123.136 -1.211 19614 2134 1 6 . 1 1 54 54 LEU HA H 54 3.962 3.962 3.956 0.006 19614 2135 1 6 . 1 1 54 54 LEU C C 54 178.897 178.897 178.010 0.887 19614 2136 1 6 . 1 1 54 54 LEU CA C 54 58.116 58.116 58.059 0.057 19614 2137 1 6 . 1 1 54 54 LEU CB C 54 41.576 41.576 41.897 -0.321 19614 2138 1 6 . 1 1 54 54 LEU H H 54 8.693 8.693 8.421 0.272 19614 2139 1 6 . 1 1 55 55 SER N N 55 114.515 114.515 114.648 -0.133 19614 2140 1 6 . 1 1 55 55 SER HA H 55 4.181 4.181 4.041 0.140 19614 2141 1 6 . 1 1 55 55 SER C C 55 177.381 177.381 176.735 0.646 19614 2142 1 6 . 1 1 55 55 SER CA C 55 61.568 61.568 62.108 -0.540 19614 2143 1 6 . 1 1 55 55 SER CB C 55 62.527 62.527 62.974 -0.447 19614 2144 1 6 . 1 1 55 55 SER H H 55 7.823 7.823 8.563 -0.740 19614 2145 1 6 . 1 1 56 56 GLN N N 56 120.605 120.605 121.356 -0.751 19614 2146 1 6 . 1 1 56 56 GLN HA H 56 4.087 4.087 4.067 0.020 19614 2147 1 6 . 1 1 56 56 GLN C C 56 178.904 178.904 178.043 0.861 19614 2148 1 6 . 1 1 56 56 GLN CA C 56 58.679 58.679 58.356 0.323 19614 2149 1 6 . 1 1 56 56 GLN CB C 56 28.669 28.669 28.387 0.282 19614 2150 1 6 . 1 1 56 56 GLN H H 56 7.886 7.886 7.771 0.115 19614 2151 1 6 . 1 1 57 57 LEU N N 57 120.488 120.488 122.903 -2.415 19614 2152 1 6 . 1 1 57 57 LEU HA H 57 3.953 3.953 3.861 0.092 19614 2153 1 6 . 1 1 57 57 LEU C C 57 177.406 177.406 178.331 -0.925 19614 2154 1 6 . 1 1 57 57 LEU CA C 57 57.957 57.957 58.498 -0.541 19614 2155 1 6 . 1 1 57 57 LEU CB C 57 41.486 41.486 41.845 -0.359 19614 2156 1 6 . 1 1 57 57 LEU H H 57 8.845 8.845 8.469 0.376 19614 2157 1 6 . 1 1 58 58 LYS N N 58 118.053 118.053 118.593 -0.540 19614 2158 1 6 . 1 1 58 58 LYS C C 58 176.891 176.891 178.922 -2.031 19614 2159 1 6 . 1 1 58 58 LYS CA C 58 60.535 60.535 59.867 0.668 19614 2160 1 6 . 1 1 58 58 LYS CB C 58 31.903 31.903 32.355 -0.452 19614 2161 1 6 . 1 1 58 58 LYS H H 58 8.145 8.145 8.221 -0.076 19614 2162 1 6 . 1 1 59 59 THR N N 59 112.948 112.948 116.830 -3.882 19614 2163 1 6 . 1 1 59 59 THR HA H 59 3.812 3.812 3.974 -0.162 19614 2164 1 6 . 1 1 59 59 THR C C 59 176.273 176.273 177.056 -0.783 19614 2165 1 6 . 1 1 59 59 THR CA C 59 66.367 66.367 66.615 -0.248 19614 2166 1 6 . 1 1 59 59 THR CB C 59 68.902 68.902 68.819 0.083 19614 2167 1 6 . 1 1 59 59 THR H H 59 7.393 7.393 7.874 -0.481 19614 2168 1 6 . 1 1 60 60 LEU N N 60 120.435 120.435 121.622 -1.187 19614 2169 1 6 . 1 1 60 60 LEU HA H 60 4.066 4.066 4.149 -0.083 19614 2170 1 6 . 1 1 60 60 LEU C C 60 179.994 179.994 178.991 1.003 19614 2171 1 6 . 1 1 60 60 LEU CA C 60 58.096 58.096 57.578 0.518 19614 2172 1 6 . 1 1 60 60 LEU CB C 60 43.107 43.107 41.002 2.105 19614 2173 1 6 . 1 1 60 60 LEU H H 60 8.005 8.005 8.424 -0.419 19614 2174 1 6 . 1 1 61 61 ILE N N 61 120.041 120.041 119.967 0.074 19614 2175 1 6 . 1 1 61 61 ILE HA H 61 3.934 3.934 3.701 0.233 19614 2176 1 6 . 1 1 61 61 ILE C C 61 176.957 176.957 178.418 -1.461 19614 2177 1 6 . 1 1 61 61 ILE CA C 61 60.979 60.979 63.924 -2.945 19614 2178 1 6 . 1 1 61 61 ILE CB C 61 37.229 37.229 36.847 0.382 19614 2179 1 6 . 1 1 61 61 ILE H H 61 8.847 8.847 8.272 0.575 19614 2180 1 6 . 1 1 62 62 LEU N N 62 121.236 121.236 120.254 0.982 19614 2181 1 6 . 1 1 62 62 LEU HA H 62 3.909 3.909 3.809 0.100 19614 2182 1 6 . 1 1 62 62 LEU C C 62 179.562 179.562 178.962 0.600 19614 2183 1 6 . 1 1 62 62 LEU CA C 62 58.035 58.035 57.858 0.176 19614 2184 1 6 . 1 1 62 62 LEU CB C 62 40.219 40.219 40.606 -0.387 19614 2185 1 6 . 1 1 62 62 LEU H H 62 7.944 7.944 8.362 -0.418 19614 2186 1 6 . 1 1 63 63 ASP N N 63 117.983 117.983 119.151 -1.168 19614 2187 1 6 . 1 1 63 63 ASP HA H 63 4.458 4.458 4.411 0.047 19614 2188 1 6 . 1 1 63 63 ASP C C 63 178.858 178.858 176.815 2.043 19614 2189 1 6 . 1 1 63 63 ASP CA C 63 56.964 56.964 56.838 0.126 19614 2190 1 6 . 1 1 63 63 ASP CB C 63 40.822 40.822 41.009 -0.187 19614 2191 1 6 . 1 1 63 63 ASP H H 63 7.844 7.844 7.730 0.114 19614 2192 1 6 . 1 1 64 64 ALA N N 64 122.425 122.425 119.242 3.183 19614 2193 1 6 . 1 1 64 64 ALA HA H 64 4.086 4.086 4.309 -0.223 19614 2194 1 6 . 1 1 64 64 ALA C C 64 179.354 179.354 178.789 0.565 19614 2195 1 6 . 1 1 64 64 ALA CA C 64 54.396 54.396 53.945 0.451 19614 2196 1 6 . 1 1 64 64 ALA CB C 64 17.785 17.785 19.324 -1.539 19614 2197 1 6 . 1 1 64 64 ALA H H 64 7.869 7.869 7.388 0.481 19614 2198 1 6 . 1 1 65 65 LEU N N 65 116.489 116.489 116.571 -0.082 19614 2199 1 6 . 1 1 65 65 LEU HA H 65 4.222 4.222 4.265 -0.043 19614 2200 1 6 . 1 1 65 65 LEU C C 65 176.661 176.661 176.699 -0.038 19614 2201 1 6 . 1 1 65 65 LEU CA C 65 54.642 54.642 55.107 -0.465 19614 2202 1 6 . 1 1 65 65 LEU CB C 65 41.957 41.957 42.779 -0.822 19614 2203 1 6 . 1 1 65 65 LEU H H 65 7.669 7.669 7.260 0.409 19614 2204 1 6 . 1 1 66 66 LYS N N 66 118.229 118.229 117.580 0.649 19614 2205 1 6 . 1 1 66 66 LYS HA H 66 4.058 4.058 3.986 0.072 19614 2206 1 6 . 1 1 66 66 LYS C C 66 176.651 176.651 176.397 0.254 19614 2207 1 6 . 1 1 66 66 LYS CA C 66 57.100 57.100 57.198 -0.098 19614 2208 1 6 . 1 1 66 66 LYS CB C 66 30.249 30.249 29.984 0.265 19614 2209 1 6 . 1 1 66 66 LYS H H 66 7.806 7.806 8.167 -0.361 19614 2210 1 6 . 1 1 67 67 LYS N N 67 119.380 119.380 118.346 1.034 19614 2211 1 6 . 1 1 67 67 LYS HA H 67 4.278 4.278 4.188 0.090 19614 2212 1 6 . 1 1 67 67 LYS C C 67 176.163 176.163 176.953 -0.790 19614 2213 1 6 . 1 1 67 67 LYS CA C 67 55.658 55.658 58.179 -2.521 19614 2214 1 6 . 1 1 67 67 LYS CB C 67 33.462 33.462 33.284 0.178 19614 2215 1 6 . 1 1 67 67 LYS H H 67 8.249 8.249 8.377 -0.128 19614 2216 1 6 . 1 1 68 68 ASP N N 68 120.812 120.812 114.596 6.216 19614 2217 1 6 . 1 1 68 68 ASP HA H 68 4.601 4.601 4.820 -0.219 19614 2218 1 6 . 1 1 68 68 ASP C C 68 177.001 177.001 175.144 1.857 19614 2219 1 6 . 1 1 68 68 ASP CA C 68 54.192 54.192 53.967 0.225 19614 2220 1 6 . 1 1 68 68 ASP CB C 68 41.383 41.383 42.985 -1.602 19614 2221 1 6 . 1 1 68 68 ASP H H 68 8.350 8.350 8.125 0.225 19614 2222 1 6 . 1 1 69 69 SER N N 69 119.061 119.061 120.314 -1.253 19614 2223 1 6 . 1 1 69 69 SER HA H 69 4.199 4.199 4.390 -0.191 19614 2224 1 6 . 1 1 69 69 SER C C 69 175.643 175.643 175.523 0.120 19614 2225 1 6 . 1 1 69 69 SER CA C 69 59.636 59.636 60.741 -1.105 19614 2226 1 6 . 1 1 69 69 SER CB C 69 63.237 63.237 63.624 -0.388 19614 2227 1 6 . 1 1 69 69 SER H H 69 8.608 8.608 8.734 -0.126 19614 2228 1 6 . 1 1 70 70 SER N N 70 118.325 118.325 118.004 0.321 19614 2229 1 6 . 1 1 70 70 SER HA H 70 4.335 4.335 4.262 0.073 19614 2230 1 6 . 1 1 70 70 SER C C 70 175.275 175.275 176.616 -1.341 19614 2231 1 6 . 1 1 70 70 SER CA C 70 59.700 59.700 61.876 -2.176 19614 2232 1 6 . 1 1 70 70 SER CB C 70 63.243 63.243 63.216 0.027 19614 2233 1 6 . 1 1 70 70 SER H H 70 8.514 8.514 9.121 -0.607 19614 2234 1 6 . 1 1 71 71 ARG N N 71 121.317 121.317 119.749 1.568 19614 2235 1 6 . 1 1 71 71 ARG HA H 71 4.231 4.231 4.088 0.143 19614 2236 1 6 . 1 1 71 71 ARG C C 71 176.223 176.223 178.533 -2.310 19614 2237 1 6 . 1 1 71 71 ARG CA C 71 56.368 56.368 58.323 -1.955 19614 2238 1 6 . 1 1 71 71 ARG CB C 71 30.148 30.148 29.400 0.748 19614 2239 1 6 . 1 1 71 71 ARG H H 71 7.965 7.965 8.319 -0.354 19614 2240 1 6 . 1 1 72 72 HIS N N 72 118.894 118.894 117.142 1.752 19614 2241 1 6 . 1 1 72 72 HIS HA H 72 4.663 4.663 4.633 0.030 19614 2242 1 6 . 1 1 72 72 HIS C C 72 175.122 175.122 176.023 -0.901 19614 2243 1 6 . 1 1 72 72 HIS CA C 72 55.935 55.935 56.829 -0.894 19614 2244 1 6 . 1 1 72 72 HIS CB C 72 29.974 29.974 28.928 1.046 19614 2245 1 6 . 1 1 72 72 HIS H H 72 8.036 8.036 7.728 0.308 19614 2246 1 6 . 1 1 73 73 SER N N 73 116.302 116.302 114.375 1.927 19614 2247 1 6 . 1 1 73 73 SER HA H 73 4.313 4.313 4.594 -0.281 19614 2248 1 6 . 1 1 73 73 SER C C 73 174.559 174.559 174.465 0.094 19614 2249 1 6 . 1 1 73 73 SER CA C 73 59.297 59.297 59.745 -0.448 19614 2250 1 6 . 1 1 73 73 SER CB C 73 63.522 63.522 63.541 -0.019 19614 2251 1 6 . 1 1 73 73 SER H H 73 8.029 8.029 7.638 0.391 19614 2252 1 6 . 1 1 74 74 LYS N N 74 122.545 122.545 120.949 1.596 19614 2253 1 6 . 1 1 74 74 LYS HA H 74 4.336 4.336 4.517 -0.181 19614 2254 1 6 . 1 1 74 74 LYS C C 74 175.929 175.929 174.928 1.001 19614 2255 1 6 . 1 1 74 74 LYS CA C 74 55.918 55.918 54.967 0.951 19614 2256 1 6 . 1 1 74 74 LYS CB C 74 32.143 32.143 32.604 -0.461 19614 2257 1 6 . 1 1 74 74 LYS H H 74 8.394 8.394 7.635 0.759 19614 2258 1 6 . 1 1 75 75 LEU N N 75 123.393 123.393 122.368 1.025 19614 2259 1 6 . 1 1 75 75 LEU HA H 75 4.402 4.402 4.374 0.028 19614 2260 1 6 . 1 1 75 75 LEU C C 75 176.575 176.575 176.882 -0.307 19614 2261 1 6 . 1 1 75 75 LEU CA C 75 54.697 54.697 54.371 0.326 19614 2262 1 6 . 1 1 75 75 LEU CB C 75 43.481 43.481 42.687 0.794 19614 2263 1 6 . 1 1 75 75 LEU H H 75 7.943 7.943 7.794 0.149 19614 2264 1 6 . 1 1 76 76 GLU N N 76 123.357 123.357 125.234 -1.877 19614 2265 1 6 . 1 1 76 76 GLU HA H 76 4.551 4.551 4.411 0.140 19614 2266 1 6 . 1 1 76 76 GLU C C 76 177.445 177.445 176.823 0.622 19614 2267 1 6 . 1 1 76 76 GLU CA C 76 54.962 54.962 55.474 -0.512 19614 2268 1 6 . 1 1 76 76 GLU CB C 76 31.245 31.245 30.761 0.484 19614 2269 1 6 . 1 1 76 76 GLU H H 76 9.136 9.136 8.372 0.764 19614 2270 1 6 . 1 1 77 77 LYS N N 77 122.655 122.655 122.999 -0.344 19614 2271 1 6 . 1 1 77 77 LYS HA H 77 3.830 3.830 3.946 -0.116 19614 2272 1 6 . 1 1 77 77 LYS C C 77 177.908 177.908 178.370 -0.462 19614 2273 1 6 . 1 1 77 77 LYS CA C 77 61.105 61.105 60.230 0.875 19614 2274 1 6 . 1 1 77 77 LYS CB C 77 32.423 32.423 32.292 0.131 19614 2275 1 6 . 1 1 77 77 LYS H H 77 8.858 8.858 8.776 0.082 19614 2276 1 6 . 1 1 78 78 ALA N N 78 118.008 118.008 119.044 -1.036 19614 2277 1 6 . 1 1 78 78 ALA HA H 78 3.892 3.892 4.142 -0.250 19614 2278 1 6 . 1 1 78 78 ALA C C 78 179.758 179.758 179.804 -0.046 19614 2279 1 6 . 1 1 78 78 ALA CA C 78 55.456 55.456 54.862 0.594 19614 2280 1 6 . 1 1 78 78 ALA CB C 78 17.839 17.839 17.870 -0.031 19614 2281 1 6 . 1 1 78 78 ALA H H 78 9.131 9.131 8.573 0.558 19614 2282 1 6 . 1 1 79 79 ASP N N 79 114.744 114.744 119.604 -4.860 19614 2283 1 6 . 1 1 79 79 ASP HA H 79 4.346 4.346 4.530 -0.184 19614 2284 1 6 . 1 1 79 79 ASP C C 79 178.104 178.104 178.592 -0.488 19614 2285 1 6 . 1 1 79 79 ASP CA C 79 57.088 57.088 57.574 -0.486 19614 2286 1 6 . 1 1 79 79 ASP CB C 79 41.728 41.728 41.429 0.299 19614 2287 1 6 . 1 1 79 79 ASP H H 79 7.052 7.052 7.727 -0.675 19614 2288 1 6 . 1 1 80 80 ILE N N 80 119.398 119.398 121.414 -2.016 19614 2289 1 6 . 1 1 80 80 ILE HA H 80 3.592 3.592 3.686 -0.094 19614 2290 1 6 . 1 1 80 80 ILE C C 80 179.567 179.567 178.161 1.406 19614 2291 1 6 . 1 1 80 80 ILE CA C 80 64.201 64.201 65.869 -1.668 19614 2292 1 6 . 1 1 80 80 ILE CB C 80 37.514 37.514 37.904 -0.390 19614 2293 1 6 . 1 1 80 80 ILE H H 80 7.983 7.983 8.257 -0.274 19614 2294 1 6 . 1 1 81 81 LEU N N 81 120.930 120.930 120.349 0.581 19614 2295 1 6 . 1 1 81 81 LEU HA H 81 3.931 3.931 3.905 0.026 19614 2296 1 6 . 1 1 81 81 LEU C C 81 178.312 178.312 178.513 -0.201 19614 2297 1 6 . 1 1 81 81 LEU CA C 81 58.588 58.588 59.031 -0.442 19614 2298 1 6 . 1 1 81 81 LEU CB C 81 41.727 41.727 41.038 0.690 19614 2299 1 6 . 1 1 81 81 LEU H H 81 8.171 8.171 8.492 -0.321 19614 2300 1 6 . 1 1 82 82 GLU N N 82 119.314 119.314 119.314 0.000 19614 2301 1 6 . 1 1 82 82 GLU HA H 82 3.917 3.917 3.898 0.019 19614 2302 1 6 . 1 1 82 82 GLU C C 82 180.151 180.151 178.959 1.192 19614 2303 1 6 . 1 1 82 82 GLU CA C 82 59.864 59.864 59.429 0.435 19614 2304 1 6 . 1 1 82 82 GLU CB C 82 29.364 29.364 29.511 -0.147 19614 2305 1 6 . 1 1 82 82 GLU H H 82 7.984 7.984 7.747 0.237 19614 2306 1 6 . 1 1 83 83 MET N N 83 118.669 118.669 118.628 0.041 19614 2307 1 6 . 1 1 83 83 MET HA H 83 4.033 4.033 4.228 -0.195 19614 2308 1 6 . 1 1 83 83 MET C C 83 178.488 178.488 178.564 -0.076 19614 2309 1 6 . 1 1 83 83 MET CA C 83 59.083 59.083 58.948 0.135 19614 2310 1 6 . 1 1 83 83 MET CB C 83 33.883 33.883 32.766 1.117 19614 2311 1 6 . 1 1 83 83 MET H H 83 8.639 8.639 8.066 0.573 19614 2312 1 6 . 1 1 84 84 THR N N 84 118.733 118.733 117.098 1.635 19614 2313 1 6 . 1 1 84 84 THR HA H 84 3.853 3.853 4.175 -0.322 19614 2314 1 6 . 1 1 84 84 THR C C 84 175.659 175.659 176.793 -1.134 19614 2315 1 6 . 1 1 84 84 THR CA C 84 68.029 68.029 66.739 1.290 19614 2316 1 6 . 1 1 84 84 THR CB C 84 67.595 67.595 68.707 -1.112 19614 2317 1 6 . 1 1 84 84 THR H H 84 7.946 7.946 7.761 0.185 19614 2318 1 6 . 1 1 85 85 VAL N N 85 122.083 122.083 121.704 0.379 19614 2319 1 6 . 1 1 85 85 VAL HA H 85 3.311 3.311 3.668 -0.357 19614 2320 1 6 . 1 1 85 85 VAL C C 85 177.078 177.078 177.579 -0.501 19614 2321 1 6 . 1 1 85 85 VAL CA C 85 67.381 67.381 66.879 0.502 19614 2322 1 6 . 1 1 85 85 VAL CB C 85 32.168 32.168 31.288 0.880 19614 2323 1 6 . 1 1 85 85 VAL H H 85 8.089 8.089 8.020 0.069 19614 2324 1 6 . 1 1 86 86 LYS N N 86 117.409 117.409 118.839 -1.430 19614 2325 1 6 . 1 1 86 86 LYS HA H 86 3.835 3.835 4.047 -0.212 19614 2326 1 6 . 1 1 86 86 LYS C C 86 178.617 178.617 178.889 -0.272 19614 2327 1 6 . 1 1 86 86 LYS CA C 86 60.014 60.014 59.428 0.586 19614 2328 1 6 . 1 1 86 86 LYS CB C 86 32.336 32.336 32.106 0.230 19614 2329 1 6 . 1 1 86 86 LYS H H 86 7.785 7.785 8.550 -0.765 19614 2330 1 6 . 1 1 87 87 HIS N N 87 118.731 118.731 120.226 -1.495 19614 2331 1 6 . 1 1 87 87 HIS HA H 87 4.513 4.513 4.377 0.136 19614 2332 1 6 . 1 1 87 87 HIS C C 87 177.356 177.356 177.025 0.331 19614 2333 1 6 . 1 1 87 87 HIS CA C 87 59.368 59.368 58.466 0.902 19614 2334 1 6 . 1 1 87 87 HIS CB C 87 32.047 32.047 30.547 1.500 19614 2335 1 6 . 1 1 87 87 HIS H H 87 8.055 8.055 7.979 0.076 19614 2336 1 6 . 1 1 88 88 LEU N N 88 117.189 117.189 121.141 -3.952 19614 2337 1 6 . 1 1 88 88 LEU C C 88 180.158 180.158 178.561 1.597 19614 2338 1 6 . 1 1 88 88 LEU CA C 88 57.927 57.927 58.292 -0.365 19614 2339 1 6 . 1 1 88 88 LEU CB C 88 41.748 41.748 41.863 -0.115 19614 2340 1 6 . 1 1 88 88 LEU H H 88 8.450 8.450 7.987 0.463 19614 2341 1 6 . 1 1 89 89 ARG N N 89 119.542 119.542 118.640 0.902 19614 2342 1 6 . 1 1 89 89 ARG HA H 89 3.901 3.901 3.938 -0.037 19614 2343 1 6 . 1 1 89 89 ARG C C 89 178.875 178.875 178.904 -0.029 19614 2344 1 6 . 1 1 89 89 ARG CA C 89 59.667 59.667 59.323 0.344 19614 2345 1 6 . 1 1 89 89 ARG CB C 89 29.542 29.542 29.543 -0.001 19614 2346 1 6 . 1 1 89 89 ARG H H 89 8.616 8.616 7.934 0.682 19614 2347 1 6 . 1 1 90 90 ASN N N 90 118.676 118.676 118.791 -0.115 19614 2348 1 6 . 1 1 90 90 ASN HA H 90 4.478 4.478 4.494 -0.016 19614 2349 1 6 . 1 1 90 90 ASN C C 90 177.824 177.824 177.322 0.502 19614 2350 1 6 . 1 1 90 90 ASN CA C 90 55.393 55.393 55.835 -0.442 19614 2351 1 6 . 1 1 90 90 ASN CB C 90 37.874 37.874 38.189 -0.315 19614 2352 1 6 . 1 1 90 90 ASN H H 90 7.935 7.935 7.838 0.097 19614 2353 1 6 . 1 1 91 91 LEU N N 91 119.885 119.885 119.700 0.185 19614 2354 1 6 . 1 1 91 91 LEU HA H 91 4.045 4.045 3.991 0.054 19614 2355 1 6 . 1 1 91 91 LEU C C 91 178.707 178.707 179.198 -0.491 19614 2356 1 6 . 1 1 91 91 LEU CA C 91 56.705 56.705 57.808 -1.103 19614 2357 1 6 . 1 1 91 91 LEU CB C 91 41.918 41.918 41.696 0.222 19614 2358 1 6 . 1 1 91 91 LEU H H 91 7.890 7.890 8.276 -0.386 19614 2359 1 6 . 1 1 92 92 GLN N N 92 118.288 118.288 118.238 0.050 19614 2360 1 6 . 1 1 92 92 GLN HA H 92 4.149 4.149 4.094 0.055 19614 2361 1 6 . 1 1 92 92 GLN C C 92 176.562 176.562 178.600 -2.038 19614 2362 1 6 . 1 1 92 92 GLN CA C 92 57.055 57.055 58.459 -1.404 19614 2363 1 6 . 1 1 92 92 GLN CB C 92 28.937 28.937 28.251 0.686 19614 2364 1 6 . 1 1 92 92 GLN H H 92 7.683 7.683 8.430 -0.747 19614 2365 1 6 . 1 1 93 93 ARG N N 93 119.664 119.664 117.457 2.207 19614 2366 1 6 . 1 1 93 93 ARG HA H 93 4.238 4.238 4.377 -0.139 19614 2367 1 6 . 1 1 93 93 ARG C C 93 175.928 175.928 176.784 -0.856 19614 2368 1 6 . 1 1 93 93 ARG CA C 93 56.467 56.467 56.995 -0.528 19614 2369 1 6 . 1 1 93 93 ARG CB C 93 30.459 30.459 29.107 1.352 19614 2370 1 6 . 1 1 93 93 ARG H H 93 7.786 7.786 8.087 -0.301 19614 2371 1 6 . 1 1 94 94 ALA N N 94 124.562 124.562 121.497 3.065 19614 2372 1 6 . 1 1 94 94 ALA HA H 94 4.308 4.308 4.362 -0.054 19614 2373 1 6 . 1 1 94 94 ALA C C 94 176.753 176.753 177.336 -0.583 19614 2374 1 6 . 1 1 94 94 ALA CA C 94 52.465 52.465 52.891 -0.426 19614 2375 1 6 . 1 1 94 94 ALA CB C 94 19.023 19.023 19.435 -0.412 19614 2376 1 6 . 1 1 94 94 ALA H H 94 8.017 8.017 7.865 0.152 19614 2377 1 7 . 1 1 27 27 LYS HA H 27 4.626 4.626 4.750 -0.124 19614 2378 1 7 . 1 1 27 27 LYS CA C 27 54.410 54.410 54.488 -0.078 19614 2379 1 7 . 1 1 27 27 LYS CB C 27 32.346 32.346 33.681 -1.335 19614 2380 1 7 . 1 1 28 28 PRO HA H 28 4.402 4.402 4.416 -0.014 19614 2381 1 7 . 1 1 28 28 PRO C C 28 176.815 176.815 176.978 -0.163 19614 2382 1 7 . 1 1 28 28 PRO CA C 28 62.876 62.876 62.957 -0.081 19614 2383 1 7 . 1 1 28 28 PRO CB C 28 32.162 32.162 31.995 0.167 19614 2384 1 7 . 1 1 29 29 LYS N N 29 122.449 122.449 123.830 -1.381 19614 2385 1 7 . 1 1 29 29 LYS HA H 29 4.297 4.297 4.359 -0.062 19614 2386 1 7 . 1 1 29 29 LYS C C 29 176.961 176.961 176.943 0.018 19614 2387 1 7 . 1 1 29 29 LYS CA C 29 56.463 56.463 56.987 -0.524 19614 2388 1 7 . 1 1 29 29 LYS CB C 29 32.816 32.816 31.959 0.857 19614 2389 1 7 . 1 1 29 29 LYS H H 29 8.586 8.586 8.548 0.038 19614 2390 1 7 . 1 1 30 30 THR N N 30 115.695 115.695 111.285 4.410 19614 2391 1 7 . 1 1 30 30 THR HA H 30 4.293 4.293 4.239 0.054 19614 2392 1 7 . 1 1 30 30 THR C C 30 174.354 174.354 175.009 -0.655 19614 2393 1 7 . 1 1 30 30 THR CA C 30 61.555 61.555 62.885 -1.330 19614 2394 1 7 . 1 1 30 30 THR CB C 30 69.949 69.949 68.099 1.850 19614 2395 1 7 . 1 1 30 30 THR H H 30 8.219 8.219 7.975 0.244 19614 2396 1 7 . 1 1 31 31 ALA N N 31 125.923 125.923 123.428 2.495 19614 2397 1 7 . 1 1 31 31 ALA HA H 31 4.312 4.312 4.407 -0.095 19614 2398 1 7 . 1 1 31 31 ALA C C 31 178.014 178.014 176.545 1.469 19614 2399 1 7 . 1 1 31 31 ALA CA C 31 52.781 52.781 50.846 1.935 19614 2400 1 7 . 1 1 31 31 ALA CB C 31 19.125 19.125 18.915 0.210 19614 2401 1 7 . 1 1 31 31 ALA H H 31 8.505 8.505 7.807 0.698 19614 2402 1 7 . 1 1 32 32 SER N N 32 115.249 115.249 113.121 2.128 19614 2403 1 7 . 1 1 32 32 SER HA H 32 4.338 4.338 4.004 0.334 19614 2404 1 7 . 1 1 32 32 SER C C 32 174.783 174.783 173.019 1.764 19614 2405 1 7 . 1 1 32 32 SER CA C 32 58.633 58.633 58.871 -0.238 19614 2406 1 7 . 1 1 32 32 SER CB C 32 63.475 63.475 63.154 0.321 19614 2407 1 7 . 1 1 32 32 SER H H 32 8.365 8.365 7.591 0.774 19614 2408 1 7 . 1 1 33 33 GLU N N 33 122.748 122.748 121.077 1.671 19614 2409 1 7 . 1 1 33 33 GLU HA H 33 4.205 4.205 4.303 -0.098 19614 2410 1 7 . 1 1 33 33 GLU C C 33 176.411 176.411 176.057 0.354 19614 2411 1 7 . 1 1 33 33 GLU CA C 33 56.678 56.678 56.053 0.625 19614 2412 1 7 . 1 1 33 33 GLU CB C 33 30.241 30.241 29.232 1.009 19614 2413 1 7 . 1 1 33 33 GLU H H 33 8.390 8.390 8.457 -0.067 19614 2414 1 7 . 1 1 34 34 HIS N N 34 120.453 120.453 122.506 -2.053 19614 2415 1 7 . 1 1 34 34 HIS HA H 34 4.605 4.605 4.324 0.281 19614 2416 1 7 . 1 1 34 34 HIS C C 34 175.167 175.167 176.107 -0.940 19614 2417 1 7 . 1 1 34 34 HIS CA C 34 56.035 56.035 58.266 -2.231 19614 2418 1 7 . 1 1 34 34 HIS CB C 34 29.938 29.938 30.359 -0.421 19614 2419 1 7 . 1 1 34 34 HIS H H 34 8.431 8.431 8.261 0.170 19614 2420 1 7 . 1 1 35 35 ARG N N 35 122.797 122.797 120.693 2.104 19614 2421 1 7 . 1 1 35 35 ARG HA H 35 4.261 4.261 4.479 -0.218 19614 2422 1 7 . 1 1 35 35 ARG C C 35 176.411 176.411 175.567 0.844 19614 2423 1 7 . 1 1 35 35 ARG CA C 35 56.306 56.306 55.603 0.703 19614 2424 1 7 . 1 1 35 35 ARG CB C 35 30.587 30.587 31.054 -0.467 19614 2425 1 7 . 1 1 35 35 ARG H H 35 8.419 8.419 8.142 0.277 19614 2426 1 7 . 1 1 36 36 LYS N N 36 122.974 122.974 128.244 -5.270 19614 2427 1 7 . 1 1 36 36 LYS HA H 36 4.288 4.288 4.490 -0.202 19614 2428 1 7 . 1 1 36 36 LYS C C 36 176.738 176.738 175.948 0.790 19614 2429 1 7 . 1 1 36 36 LYS CA C 36 56.514 56.514 55.696 0.818 19614 2430 1 7 . 1 1 36 36 LYS CB C 36 32.857 32.857 31.764 1.093 19614 2431 1 7 . 1 1 36 36 LYS H H 36 8.482 8.482 8.823 -0.341 19614 2432 1 7 . 1 1 37 37 SER N N 37 117.137 117.137 121.750 -4.613 19614 2433 1 7 . 1 1 37 37 SER HA H 37 4.469 4.469 4.761 -0.292 19614 2434 1 7 . 1 1 37 37 SER C C 37 174.495 174.495 174.027 0.468 19614 2435 1 7 . 1 1 37 37 SER CA C 37 58.115 58.115 57.534 0.581 19614 2436 1 7 . 1 1 37 37 SER CB C 37 63.627 63.627 62.442 1.185 19614 2437 1 7 . 1 1 37 37 SER H H 37 8.410 8.410 8.307 0.103 19614 2438 1 7 . 1 1 38 38 SER N N 38 118.622 118.622 118.145 0.477 19614 2439 1 7 . 1 1 38 38 SER HA H 38 4.467 4.467 4.747 -0.280 19614 2440 1 7 . 1 1 38 38 SER C C 38 174.332 174.332 173.112 1.220 19614 2441 1 7 . 1 1 38 38 SER CA C 38 58.187 58.187 57.796 0.391 19614 2442 1 7 . 1 1 38 38 SER CB C 38 63.703 63.703 64.925 -1.222 19614 2443 1 7 . 1 1 38 38 SER H H 38 8.456 8.456 7.928 0.528 19614 2444 1 7 . 1 1 39 39 LYS N N 39 124.176 124.176 123.793 0.383 19614 2445 1 7 . 1 1 39 39 LYS HA H 39 4.478 4.478 4.783 -0.305 19614 2446 1 7 . 1 1 39 39 LYS C C 39 174.904 174.904 175.508 -0.604 19614 2447 1 7 . 1 1 39 39 LYS CA C 39 56.707 56.707 53.692 3.015 19614 2448 1 7 . 1 1 39 39 LYS CB C 39 31.595 31.595 32.555 -0.960 19614 2449 1 7 . 1 1 39 39 LYS H H 39 8.489 8.489 8.457 0.032 19614 2450 1 7 . 1 1 40 40 PRO HA H 40 4.401 4.401 4.348 0.053 19614 2451 1 7 . 1 1 40 40 PRO C C 40 178.173 178.173 178.686 -0.513 19614 2452 1 7 . 1 1 40 40 PRO CA C 40 64.315 64.315 65.036 -0.721 19614 2453 1 7 . 1 1 40 40 PRO CB C 40 31.675 31.675 32.078 -0.403 19614 2454 1 7 . 1 1 41 41 ILE N N 41 120.414 120.414 118.002 2.412 19614 2455 1 7 . 1 1 41 41 ILE HA H 41 3.967 3.967 3.934 0.033 19614 2456 1 7 . 1 1 41 41 ILE C C 41 177.393 177.393 177.456 -0.063 19614 2457 1 7 . 1 1 41 41 ILE CA C 41 62.575 62.575 64.321 -1.746 19614 2458 1 7 . 1 1 41 41 ILE CB C 41 37.900 37.900 37.800 0.100 19614 2459 1 7 . 1 1 41 41 ILE H H 41 8.011 8.011 7.833 0.178 19614 2460 1 7 . 1 1 42 42 MET N N 42 122.411 122.411 118.458 3.953 19614 2461 1 7 . 1 1 42 42 MET HA H 42 4.330 4.330 4.196 0.134 19614 2462 1 7 . 1 1 42 42 MET C C 42 178.050 178.050 178.633 -0.583 19614 2463 1 7 . 1 1 42 42 MET CA C 42 56.959 56.959 58.008 -1.049 19614 2464 1 7 . 1 1 42 42 MET CB C 42 32.024 32.024 31.114 0.910 19614 2465 1 7 . 1 1 42 42 MET H H 42 8.335 8.335 8.095 0.240 19614 2466 1 7 . 1 1 43 43 GLU N N 43 121.832 121.832 118.337 3.495 19614 2467 1 7 . 1 1 43 43 GLU HA H 43 4.193 4.193 4.052 0.141 19614 2468 1 7 . 1 1 43 43 GLU C C 43 177.835 177.835 178.783 -0.948 19614 2469 1 7 . 1 1 43 43 GLU CA C 43 58.157 58.157 59.126 -0.969 19614 2470 1 7 . 1 1 43 43 GLU CB C 43 29.543 29.543 28.797 0.746 19614 2471 1 7 . 1 1 43 43 GLU H H 43 8.397 8.397 8.541 -0.144 19614 2472 1 7 . 1 1 44 44 LYS N N 44 121.347 121.347 121.374 -0.027 19614 2473 1 7 . 1 1 44 44 LYS HA H 44 4.083 4.083 4.050 0.033 19614 2474 1 7 . 1 1 44 44 LYS C C 44 178.745 178.745 178.927 -0.182 19614 2475 1 7 . 1 1 44 44 LYS CA C 44 58.846 58.846 59.256 -0.410 19614 2476 1 7 . 1 1 44 44 LYS CB C 44 32.493 32.493 32.406 0.087 19614 2477 1 7 . 1 1 44 44 LYS H H 44 8.124 8.124 7.658 0.466 19614 2478 1 7 . 1 1 45 45 ARG N N 45 120.603 120.603 119.014 1.589 19614 2479 1 7 . 1 1 45 45 ARG HA H 45 4.247 4.247 3.960 0.287 19614 2480 1 7 . 1 1 45 45 ARG C C 45 178.025 178.025 178.611 -0.586 19614 2481 1 7 . 1 1 45 45 ARG CA C 45 58.201 58.201 59.765 -1.564 19614 2482 1 7 . 1 1 45 45 ARG CB C 45 29.888 29.888 30.104 -0.216 19614 2483 1 7 . 1 1 45 45 ARG H H 45 8.219 8.219 8.491 -0.272 19614 2484 1 7 . 1 1 46 46 ARG N N 46 121.714 121.714 119.680 2.034 19614 2485 1 7 . 1 1 46 46 ARG HA H 46 3.908 3.908 3.973 -0.065 19614 2486 1 7 . 1 1 46 46 ARG C C 46 177.855 177.855 178.149 -0.294 19614 2487 1 7 . 1 1 46 46 ARG CA C 46 59.726 59.726 59.578 0.148 19614 2488 1 7 . 1 1 46 46 ARG CB C 46 30.215 30.215 30.114 0.101 19614 2489 1 7 . 1 1 46 46 ARG H H 46 8.245 8.245 8.435 -0.190 19614 2490 1 7 . 1 1 47 47 ARG N N 47 118.469 118.469 119.182 -0.713 19614 2491 1 7 . 1 1 47 47 ARG HA H 47 3.961 3.961 3.999 -0.038 19614 2492 1 7 . 1 1 47 47 ARG C C 47 177.899 177.899 178.223 -0.324 19614 2493 1 7 . 1 1 47 47 ARG CA C 47 58.541 58.541 59.448 -0.907 19614 2494 1 7 . 1 1 47 47 ARG CB C 47 29.704 29.704 30.139 -0.435 19614 2495 1 7 . 1 1 47 47 ARG H H 47 8.233 8.233 8.310 -0.077 19614 2496 1 7 . 1 1 48 48 ALA N N 48 121.720 121.720 121.547 0.173 19614 2497 1 7 . 1 1 48 48 ALA HA H 48 4.205 4.205 3.984 0.221 19614 2498 1 7 . 1 1 48 48 ALA C C 48 180.284 180.284 179.601 0.683 19614 2499 1 7 . 1 1 48 48 ALA CA C 48 54.815 54.815 55.241 -0.426 19614 2500 1 7 . 1 1 48 48 ALA CB C 48 18.025 18.025 18.395 -0.370 19614 2501 1 7 . 1 1 48 48 ALA H H 48 7.962 7.962 8.332 -0.370 19614 2502 1 7 . 1 1 49 49 ARG N N 49 119.603 119.603 118.799 0.804 19614 2503 1 7 . 1 1 49 49 ARG C C 49 179.589 179.589 179.071 0.518 19614 2504 1 7 . 1 1 49 49 ARG CA C 49 59.291 59.291 58.825 0.466 19614 2505 1 7 . 1 1 49 49 ARG CB C 49 30.993 30.993 29.935 1.058 19614 2506 1 7 . 1 1 49 49 ARG H H 49 8.103 8.103 8.302 -0.199 19614 2507 1 7 . 1 1 50 50 ILE N N 50 121.545 121.545 121.818 -0.273 19614 2508 1 7 . 1 1 50 50 ILE HA H 50 3.662 3.662 3.706 -0.044 19614 2509 1 7 . 1 1 50 50 ILE C C 50 177.372 177.372 178.103 -0.731 19614 2510 1 7 . 1 1 50 50 ILE CA C 50 65.302 65.302 65.662 -0.360 19614 2511 1 7 . 1 1 50 50 ILE CB C 50 38.216 38.216 37.612 0.604 19614 2512 1 7 . 1 1 50 50 ILE H H 50 8.145 8.145 8.646 -0.501 19614 2513 1 7 . 1 1 51 51 ASN N N 51 117.894 117.894 118.127 -0.233 19614 2514 1 7 . 1 1 51 51 ASN HA H 51 4.407 4.407 4.434 -0.027 19614 2515 1 7 . 1 1 51 51 ASN C C 51 178.725 178.725 178.222 0.503 19614 2516 1 7 . 1 1 51 51 ASN CA C 51 56.205 56.205 56.223 -0.018 19614 2517 1 7 . 1 1 51 51 ASN CB C 51 37.594 37.594 37.756 -0.162 19614 2518 1 7 . 1 1 51 51 ASN H H 51 8.431 8.431 8.260 0.171 19614 2519 1 7 . 1 1 52 52 GLU N N 52 121.612 121.612 120.053 1.559 19614 2520 1 7 . 1 1 52 52 GLU HA H 52 4.205 4.205 4.092 0.113 19614 2521 1 7 . 1 1 52 52 GLU C C 52 179.243 179.243 179.107 0.136 19614 2522 1 7 . 1 1 52 52 GLU CA C 52 59.291 59.291 59.416 -0.125 19614 2523 1 7 . 1 1 52 52 GLU CB C 52 29.101 29.101 29.281 -0.180 19614 2524 1 7 . 1 1 52 52 GLU H H 52 8.299 8.299 8.647 -0.348 19614 2525 1 7 . 1 1 53 53 SER N N 53 116.604 116.604 115.559 1.045 19614 2526 1 7 . 1 1 53 53 SER C C 53 176.283 176.283 176.944 -0.661 19614 2527 1 7 . 1 1 53 53 SER CA C 53 63.032 63.032 61.784 1.248 19614 2528 1 7 . 1 1 53 53 SER H H 53 8.254 8.254 8.215 0.039 19614 2529 1 7 . 1 1 54 54 LEU N N 54 121.925 121.925 123.352 -1.427 19614 2530 1 7 . 1 1 54 54 LEU HA H 54 3.962 3.962 4.125 -0.163 19614 2531 1 7 . 1 1 54 54 LEU C C 54 178.897 178.897 178.385 0.512 19614 2532 1 7 . 1 1 54 54 LEU CA C 54 58.116 58.116 57.711 0.405 19614 2533 1 7 . 1 1 54 54 LEU CB C 54 41.576 41.576 41.835 -0.259 19614 2534 1 7 . 1 1 54 54 LEU H H 54 8.693 8.693 8.582 0.111 19614 2535 1 7 . 1 1 55 55 SER N N 55 114.515 114.515 115.127 -0.612 19614 2536 1 7 . 1 1 55 55 SER HA H 55 4.181 4.181 4.104 0.077 19614 2537 1 7 . 1 1 55 55 SER C C 55 177.381 177.381 176.926 0.455 19614 2538 1 7 . 1 1 55 55 SER CA C 55 61.568 61.568 62.282 -0.714 19614 2539 1 7 . 1 1 55 55 SER CB C 55 62.527 62.527 63.079 -0.552 19614 2540 1 7 . 1 1 55 55 SER H H 55 7.823 7.823 8.290 -0.467 19614 2541 1 7 . 1 1 56 56 GLN N N 56 120.605 120.605 121.405 -0.800 19614 2542 1 7 . 1 1 56 56 GLN HA H 56 4.087 4.087 4.083 0.004 19614 2543 1 7 . 1 1 56 56 GLN C C 56 178.904 178.904 178.064 0.840 19614 2544 1 7 . 1 1 56 56 GLN CA C 56 58.679 58.679 58.473 0.206 19614 2545 1 7 . 1 1 56 56 GLN CB C 56 28.669 28.669 28.194 0.475 19614 2546 1 7 . 1 1 56 56 GLN H H 56 7.886 7.886 8.169 -0.283 19614 2547 1 7 . 1 1 57 57 LEU N N 57 120.488 120.488 122.577 -2.089 19614 2548 1 7 . 1 1 57 57 LEU HA H 57 3.953 3.953 3.922 0.031 19614 2549 1 7 . 1 1 57 57 LEU C C 57 177.406 177.406 178.275 -0.869 19614 2550 1 7 . 1 1 57 57 LEU CA C 57 57.957 57.957 58.326 -0.369 19614 2551 1 7 . 1 1 57 57 LEU CB C 57 41.486 41.486 42.097 -0.611 19614 2552 1 7 . 1 1 57 57 LEU H H 57 8.845 8.845 8.108 0.737 19614 2553 1 7 . 1 1 58 58 LYS N N 58 118.053 118.053 117.365 0.688 19614 2554 1 7 . 1 1 58 58 LYS C C 58 176.891 176.891 179.287 -2.396 19614 2555 1 7 . 1 1 58 58 LYS CA C 58 60.535 60.535 58.919 1.616 19614 2556 1 7 . 1 1 58 58 LYS CB C 58 31.903 31.903 31.353 0.550 19614 2557 1 7 . 1 1 58 58 LYS H H 58 8.145 8.145 8.270 -0.125 19614 2558 1 7 . 1 1 59 59 THR N N 59 112.948 112.948 118.163 -5.215 19614 2559 1 7 . 1 1 59 59 THR HA H 59 3.812 3.812 4.151 -0.339 19614 2560 1 7 . 1 1 59 59 THR C C 59 176.273 176.273 176.704 -0.431 19614 2561 1 7 . 1 1 59 59 THR CA C 59 66.367 66.367 66.554 -0.187 19614 2562 1 7 . 1 1 59 59 THR CB C 59 68.902 68.902 68.942 -0.040 19614 2563 1 7 . 1 1 59 59 THR H H 59 7.393 7.393 7.871 -0.478 19614 2564 1 7 . 1 1 60 60 LEU N N 60 120.435 120.435 121.961 -1.526 19614 2565 1 7 . 1 1 60 60 LEU HA H 60 4.066 4.066 4.127 -0.061 19614 2566 1 7 . 1 1 60 60 LEU C C 60 179.994 179.994 179.094 0.900 19614 2567 1 7 . 1 1 60 60 LEU CA C 60 58.096 58.096 57.811 0.285 19614 2568 1 7 . 1 1 60 60 LEU CB C 60 43.107 43.107 40.956 2.151 19614 2569 1 7 . 1 1 60 60 LEU H H 60 8.005 8.005 8.457 -0.452 19614 2570 1 7 . 1 1 61 61 ILE N N 61 120.041 120.041 119.788 0.253 19614 2571 1 7 . 1 1 61 61 ILE HA H 61 3.934 3.934 3.708 0.226 19614 2572 1 7 . 1 1 61 61 ILE C C 61 176.957 176.957 178.306 -1.349 19614 2573 1 7 . 1 1 61 61 ILE CA C 61 60.979 60.979 64.271 -3.292 19614 2574 1 7 . 1 1 61 61 ILE CB C 61 37.229 37.229 36.832 0.397 19614 2575 1 7 . 1 1 61 61 ILE H H 61 8.847 8.847 8.467 0.380 19614 2576 1 7 . 1 1 62 62 LEU N N 62 121.236 121.236 120.252 0.984 19614 2577 1 7 . 1 1 62 62 LEU HA H 62 3.909 3.909 3.988 -0.079 19614 2578 1 7 . 1 1 62 62 LEU C C 62 179.562 179.562 179.022 0.540 19614 2579 1 7 . 1 1 62 62 LEU CA C 62 58.035 58.035 57.991 0.044 19614 2580 1 7 . 1 1 62 62 LEU CB C 62 40.219 40.219 41.000 -0.781 19614 2581 1 7 . 1 1 62 62 LEU H H 62 7.944 7.944 7.714 0.230 19614 2582 1 7 . 1 1 63 63 ASP N N 63 117.983 117.983 119.239 -1.256 19614 2583 1 7 . 1 1 63 63 ASP HA H 63 4.458 4.458 4.301 0.157 19614 2584 1 7 . 1 1 63 63 ASP C C 63 178.858 178.858 177.430 1.428 19614 2585 1 7 . 1 1 63 63 ASP CA C 63 56.964 56.964 56.931 0.033 19614 2586 1 7 . 1 1 63 63 ASP CB C 63 40.822 40.822 41.083 -0.261 19614 2587 1 7 . 1 1 63 63 ASP H H 63 7.844 7.844 7.776 0.068 19614 2588 1 7 . 1 1 64 64 ALA N N 64 122.425 122.425 120.235 2.190 19614 2589 1 7 . 1 1 64 64 ALA HA H 64 4.086 4.086 4.186 -0.100 19614 2590 1 7 . 1 1 64 64 ALA C C 64 179.354 179.354 179.004 0.350 19614 2591 1 7 . 1 1 64 64 ALA CA C 64 54.396 54.396 54.448 -0.052 19614 2592 1 7 . 1 1 64 64 ALA CB C 64 17.785 17.785 19.050 -1.265 19614 2593 1 7 . 1 1 64 64 ALA H H 64 7.869 7.869 7.824 0.045 19614 2594 1 7 . 1 1 65 65 LEU N N 65 116.489 116.489 114.901 1.588 19614 2595 1 7 . 1 1 65 65 LEU HA H 65 4.222 4.222 4.328 -0.106 19614 2596 1 7 . 1 1 65 65 LEU C C 65 176.661 176.661 176.372 0.289 19614 2597 1 7 . 1 1 65 65 LEU CA C 65 54.642 54.642 55.031 -0.389 19614 2598 1 7 . 1 1 65 65 LEU CB C 65 41.957 41.957 42.922 -0.965 19614 2599 1 7 . 1 1 65 65 LEU H H 65 7.669 7.669 7.385 0.284 19614 2600 1 7 . 1 1 66 66 LYS N N 66 118.229 118.229 115.767 2.462 19614 2601 1 7 . 1 1 66 66 LYS HA H 66 4.058 4.058 3.961 0.097 19614 2602 1 7 . 1 1 66 66 LYS C C 66 176.651 176.651 176.459 0.192 19614 2603 1 7 . 1 1 66 66 LYS CA C 66 57.100 57.100 57.342 -0.242 19614 2604 1 7 . 1 1 66 66 LYS CB C 66 30.249 30.249 29.075 1.174 19614 2605 1 7 . 1 1 66 66 LYS H H 66 7.806 7.806 8.130 -0.324 19614 2606 1 7 . 1 1 67 67 LYS N N 67 119.380 119.380 118.161 1.219 19614 2607 1 7 . 1 1 67 67 LYS HA H 67 4.278 4.278 4.000 0.278 19614 2608 1 7 . 1 1 67 67 LYS C C 67 176.163 176.163 176.449 -0.286 19614 2609 1 7 . 1 1 67 67 LYS CA C 67 55.658 55.658 58.834 -3.176 19614 2610 1 7 . 1 1 67 67 LYS CB C 67 33.462 33.462 33.079 0.383 19614 2611 1 7 . 1 1 67 67 LYS H H 67 8.249 8.249 7.847 0.402 19614 2612 1 7 . 1 1 68 68 ASP N N 68 120.812 120.812 115.518 5.294 19614 2613 1 7 . 1 1 68 68 ASP HA H 68 4.601 4.601 4.683 -0.082 19614 2614 1 7 . 1 1 68 68 ASP C C 68 177.001 177.001 175.738 1.263 19614 2615 1 7 . 1 1 68 68 ASP CA C 68 54.192 54.192 53.872 0.320 19614 2616 1 7 . 1 1 68 68 ASP CB C 68 41.383 41.383 43.054 -1.671 19614 2617 1 7 . 1 1 68 68 ASP H H 68 8.350 8.350 8.035 0.315 19614 2618 1 7 . 1 1 69 69 SER N N 69 119.061 119.061 120.183 -1.122 19614 2619 1 7 . 1 1 69 69 SER HA H 69 4.199 4.199 4.533 -0.334 19614 2620 1 7 . 1 1 69 69 SER C C 69 175.643 175.643 175.255 0.388 19614 2621 1 7 . 1 1 69 69 SER CA C 69 59.636 59.636 60.344 -0.708 19614 2622 1 7 . 1 1 69 69 SER CB C 69 63.237 63.237 63.633 -0.396 19614 2623 1 7 . 1 1 69 69 SER H H 69 8.608 8.608 8.749 -0.141 19614 2624 1 7 . 1 1 70 70 SER N N 70 118.325 118.325 118.652 -0.327 19614 2625 1 7 . 1 1 70 70 SER HA H 70 4.335 4.335 4.492 -0.157 19614 2626 1 7 . 1 1 70 70 SER C C 70 175.275 175.275 175.914 -0.639 19614 2627 1 7 . 1 1 70 70 SER CA C 70 59.700 59.700 60.895 -1.194 19614 2628 1 7 . 1 1 70 70 SER CB C 70 63.243 63.243 63.282 -0.039 19614 2629 1 7 . 1 1 70 70 SER H H 70 8.514 8.514 8.059 0.455 19614 2630 1 7 . 1 1 71 71 ARG N N 71 121.317 121.317 120.416 0.901 19614 2631 1 7 . 1 1 71 71 ARG HA H 71 4.231 4.231 4.222 0.009 19614 2632 1 7 . 1 1 71 71 ARG C C 71 176.223 176.223 178.450 -2.227 19614 2633 1 7 . 1 1 71 71 ARG CA C 71 56.368 56.368 58.345 -1.977 19614 2634 1 7 . 1 1 71 71 ARG CB C 71 30.148 30.148 29.768 0.380 19614 2635 1 7 . 1 1 71 71 ARG H H 71 7.965 7.965 8.890 -0.925 19614 2636 1 7 . 1 1 72 72 HIS N N 72 118.894 118.894 121.271 -2.377 19614 2637 1 7 . 1 1 72 72 HIS HA H 72 4.663 4.663 4.293 0.370 19614 2638 1 7 . 1 1 72 72 HIS C C 72 175.122 175.122 177.129 -2.007 19614 2639 1 7 . 1 1 72 72 HIS CA C 72 55.935 55.935 59.300 -3.365 19614 2640 1 7 . 1 1 72 72 HIS CB C 72 29.974 29.974 29.840 0.134 19614 2641 1 7 . 1 1 72 72 HIS H H 72 8.036 8.036 7.962 0.074 19614 2642 1 7 . 1 1 73 73 SER N N 73 116.302 116.302 113.055 3.247 19614 2643 1 7 . 1 1 73 73 SER HA H 73 4.313 4.313 4.528 -0.215 19614 2644 1 7 . 1 1 73 73 SER C C 73 174.559 174.559 174.720 -0.161 19614 2645 1 7 . 1 1 73 73 SER CA C 73 59.297 59.297 59.496 -0.199 19614 2646 1 7 . 1 1 73 73 SER CB C 73 63.522 63.522 62.658 0.864 19614 2647 1 7 . 1 1 73 73 SER H H 73 8.029 8.029 8.087 -0.058 19614 2648 1 7 . 1 1 74 74 LYS N N 74 122.545 122.545 121.364 1.181 19614 2649 1 7 . 1 1 74 74 LYS HA H 74 4.336 4.336 4.504 -0.168 19614 2650 1 7 . 1 1 74 74 LYS C C 74 175.929 175.929 174.834 1.095 19614 2651 1 7 . 1 1 74 74 LYS CA C 74 55.918 55.918 55.067 0.851 19614 2652 1 7 . 1 1 74 74 LYS CB C 74 32.143 32.143 33.233 -1.089 19614 2653 1 7 . 1 1 74 74 LYS H H 74 8.394 8.394 7.901 0.493 19614 2654 1 7 . 1 1 75 75 LEU N N 75 123.393 123.393 122.866 0.527 19614 2655 1 7 . 1 1 75 75 LEU HA H 75 4.402 4.402 4.228 0.174 19614 2656 1 7 . 1 1 75 75 LEU C C 75 176.575 176.575 176.572 0.003 19614 2657 1 7 . 1 1 75 75 LEU CA C 75 54.697 54.697 55.313 -0.616 19614 2658 1 7 . 1 1 75 75 LEU CB C 75 43.481 43.481 42.171 1.310 19614 2659 1 7 . 1 1 75 75 LEU H H 75 7.943 7.943 7.392 0.551 19614 2660 1 7 . 1 1 76 76 GLU N N 76 123.357 123.357 122.668 0.689 19614 2661 1 7 . 1 1 76 76 GLU HA H 76 4.551 4.551 4.449 0.102 19614 2662 1 7 . 1 1 76 76 GLU C C 76 177.445 177.445 176.940 0.505 19614 2663 1 7 . 1 1 76 76 GLU CA C 76 54.962 54.962 54.968 -0.006 19614 2664 1 7 . 1 1 76 76 GLU CB C 76 31.245 31.245 30.837 0.408 19614 2665 1 7 . 1 1 76 76 GLU H H 76 9.136 9.136 8.455 0.681 19614 2666 1 7 . 1 1 77 77 LYS N N 77 122.655 122.655 124.881 -2.226 19614 2667 1 7 . 1 1 77 77 LYS HA H 77 3.830 3.830 3.834 -0.004 19614 2668 1 7 . 1 1 77 77 LYS C C 77 177.908 177.908 178.191 -0.283 19614 2669 1 7 . 1 1 77 77 LYS CA C 77 61.105 61.105 60.262 0.843 19614 2670 1 7 . 1 1 77 77 LYS CB C 77 32.423 32.423 32.329 0.094 19614 2671 1 7 . 1 1 77 77 LYS H H 77 8.858 8.858 8.951 -0.093 19614 2672 1 7 . 1 1 78 78 ALA N N 78 118.008 118.008 119.086 -1.078 19614 2673 1 7 . 1 1 78 78 ALA HA H 78 3.892 3.892 4.139 -0.247 19614 2674 1 7 . 1 1 78 78 ALA C C 78 179.758 179.758 179.748 0.010 19614 2675 1 7 . 1 1 78 78 ALA CA C 78 55.456 55.456 54.846 0.610 19614 2676 1 7 . 1 1 78 78 ALA CB C 78 17.839 17.839 17.889 -0.050 19614 2677 1 7 . 1 1 78 78 ALA H H 78 9.131 9.131 8.498 0.633 19614 2678 1 7 . 1 1 79 79 ASP N N 79 114.744 114.744 119.759 -5.015 19614 2679 1 7 . 1 1 79 79 ASP HA H 79 4.346 4.346 4.488 -0.142 19614 2680 1 7 . 1 1 79 79 ASP C C 79 178.104 178.104 178.653 -0.549 19614 2681 1 7 . 1 1 79 79 ASP CA C 79 57.088 57.088 57.621 -0.533 19614 2682 1 7 . 1 1 79 79 ASP CB C 79 41.728 41.728 41.071 0.657 19614 2683 1 7 . 1 1 79 79 ASP H H 79 7.052 7.052 7.743 -0.691 19614 2684 1 7 . 1 1 80 80 ILE N N 80 119.398 119.398 121.308 -1.910 19614 2685 1 7 . 1 1 80 80 ILE HA H 80 3.592 3.592 3.609 -0.017 19614 2686 1 7 . 1 1 80 80 ILE C C 80 179.567 179.567 177.984 1.583 19614 2687 1 7 . 1 1 80 80 ILE CA C 80 64.201 64.201 65.723 -1.522 19614 2688 1 7 . 1 1 80 80 ILE CB C 80 37.514 37.514 37.846 -0.333 19614 2689 1 7 . 1 1 80 80 ILE H H 80 7.983 7.983 8.248 -0.265 19614 2690 1 7 . 1 1 81 81 LEU N N 81 120.930 120.930 119.801 1.129 19614 2691 1 7 . 1 1 81 81 LEU HA H 81 3.931 3.931 3.851 0.080 19614 2692 1 7 . 1 1 81 81 LEU C C 81 178.312 178.312 178.852 -0.540 19614 2693 1 7 . 1 1 81 81 LEU CA C 81 58.588 58.588 58.366 0.222 19614 2694 1 7 . 1 1 81 81 LEU CB C 81 41.727 41.727 41.147 0.580 19614 2695 1 7 . 1 1 81 81 LEU H H 81 8.171 8.171 8.163 0.008 19614 2696 1 7 . 1 1 82 82 GLU N N 82 119.314 119.314 119.682 -0.368 19614 2697 1 7 . 1 1 82 82 GLU HA H 82 3.917 3.917 3.920 -0.003 19614 2698 1 7 . 1 1 82 82 GLU C C 82 180.151 180.151 178.897 1.254 19614 2699 1 7 . 1 1 82 82 GLU CA C 82 59.864 59.864 59.446 0.418 19614 2700 1 7 . 1 1 82 82 GLU CB C 82 29.364 29.364 29.592 -0.228 19614 2701 1 7 . 1 1 82 82 GLU H H 82 7.984 7.984 7.833 0.151 19614 2702 1 7 . 1 1 83 83 MET N N 83 118.669 118.669 118.602 0.067 19614 2703 1 7 . 1 1 83 83 MET HA H 83 4.033 4.033 4.227 -0.194 19614 2704 1 7 . 1 1 83 83 MET C C 83 178.488 178.488 178.554 -0.066 19614 2705 1 7 . 1 1 83 83 MET CA C 83 59.083 59.083 58.063 1.020 19614 2706 1 7 . 1 1 83 83 MET CB C 83 33.883 33.883 32.370 1.513 19614 2707 1 7 . 1 1 83 83 MET H H 83 8.639 8.639 8.105 0.534 19614 2708 1 7 . 1 1 84 84 THR N N 84 118.733 118.733 116.581 2.152 19614 2709 1 7 . 1 1 84 84 THR HA H 84 3.853 3.853 4.198 -0.345 19614 2710 1 7 . 1 1 84 84 THR C C 84 175.659 175.659 176.648 -0.989 19614 2711 1 7 . 1 1 84 84 THR CA C 84 68.029 68.029 66.356 1.673 19614 2712 1 7 . 1 1 84 84 THR CB C 84 67.595 67.595 68.713 -1.118 19614 2713 1 7 . 1 1 84 84 THR H H 84 7.946 7.946 7.598 0.348 19614 2714 1 7 . 1 1 85 85 VAL N N 85 122.083 122.083 121.860 0.223 19614 2715 1 7 . 1 1 85 85 VAL HA H 85 3.311 3.311 3.668 -0.357 19614 2716 1 7 . 1 1 85 85 VAL C C 85 177.078 177.078 177.861 -0.783 19614 2717 1 7 . 1 1 85 85 VAL CA C 85 67.381 67.381 66.418 0.963 19614 2718 1 7 . 1 1 85 85 VAL CB C 85 32.168 32.168 30.913 1.255 19614 2719 1 7 . 1 1 85 85 VAL H H 85 8.089 8.089 8.055 0.034 19614 2720 1 7 . 1 1 86 86 LYS N N 86 117.409 117.409 118.263 -0.854 19614 2721 1 7 . 1 1 86 86 LYS HA H 86 3.835 3.835 3.994 -0.159 19614 2722 1 7 . 1 1 86 86 LYS C C 86 178.617 178.617 178.947 -0.330 19614 2723 1 7 . 1 1 86 86 LYS CA C 86 60.014 60.014 59.706 0.307 19614 2724 1 7 . 1 1 86 86 LYS CB C 86 32.336 32.336 32.053 0.283 19614 2725 1 7 . 1 1 86 86 LYS H H 86 7.785 7.785 8.593 -0.808 19614 2726 1 7 . 1 1 87 87 HIS N N 87 118.731 118.731 118.758 -0.027 19614 2727 1 7 . 1 1 87 87 HIS HA H 87 4.513 4.513 4.420 0.093 19614 2728 1 7 . 1 1 87 87 HIS C C 87 177.356 177.356 177.005 0.351 19614 2729 1 7 . 1 1 87 87 HIS CA C 87 59.368 59.368 58.857 0.511 19614 2730 1 7 . 1 1 87 87 HIS CB C 87 32.047 32.047 30.501 1.546 19614 2731 1 7 . 1 1 87 87 HIS H H 87 8.055 8.055 7.750 0.305 19614 2732 1 7 . 1 1 88 88 LEU N N 88 117.189 117.189 118.523 -1.334 19614 2733 1 7 . 1 1 88 88 LEU C C 88 180.158 180.158 178.645 1.513 19614 2734 1 7 . 1 1 88 88 LEU CA C 88 57.927 57.927 57.517 0.410 19614 2735 1 7 . 1 1 88 88 LEU CB C 88 41.748 41.748 41.146 0.602 19614 2736 1 7 . 1 1 88 88 LEU H H 88 8.450 8.450 7.599 0.851 19614 2737 1 7 . 1 1 89 89 ARG N N 89 119.542 119.542 120.275 -0.733 19614 2738 1 7 . 1 1 89 89 ARG HA H 89 3.901 3.901 3.978 -0.077 19614 2739 1 7 . 1 1 89 89 ARG C C 89 178.875 178.875 178.842 0.033 19614 2740 1 7 . 1 1 89 89 ARG CA C 89 59.667 59.667 58.148 1.518 19614 2741 1 7 . 1 1 89 89 ARG CB C 89 29.542 29.542 28.751 0.791 19614 2742 1 7 . 1 1 89 89 ARG H H 89 8.616 8.616 7.901 0.715 19614 2743 1 7 . 1 1 90 90 ASN N N 90 118.676 118.676 118.978 -0.302 19614 2744 1 7 . 1 1 90 90 ASN HA H 90 4.478 4.478 4.489 -0.011 19614 2745 1 7 . 1 1 90 90 ASN C C 90 177.824 177.824 177.916 -0.092 19614 2746 1 7 . 1 1 90 90 ASN CA C 90 55.393 55.393 55.833 -0.440 19614 2747 1 7 . 1 1 90 90 ASN CB C 90 37.874 37.874 38.128 -0.254 19614 2748 1 7 . 1 1 90 90 ASN H H 90 7.935 7.935 7.692 0.243 19614 2749 1 7 . 1 1 91 91 LEU N N 91 119.885 119.885 120.589 -0.704 19614 2750 1 7 . 1 1 91 91 LEU HA H 91 4.045 4.045 3.946 0.099 19614 2751 1 7 . 1 1 91 91 LEU C C 91 178.707 178.707 179.688 -0.981 19614 2752 1 7 . 1 1 91 91 LEU CA C 91 56.705 56.705 57.880 -1.175 19614 2753 1 7 . 1 1 91 91 LEU CB C 91 41.918 41.918 41.630 0.288 19614 2754 1 7 . 1 1 91 91 LEU H H 91 7.890 7.890 8.361 -0.471 19614 2755 1 7 . 1 1 92 92 GLN N N 92 118.288 118.288 117.903 0.385 19614 2756 1 7 . 1 1 92 92 GLN HA H 92 4.149 4.149 4.072 0.077 19614 2757 1 7 . 1 1 92 92 GLN C C 92 176.562 176.562 177.984 -1.422 19614 2758 1 7 . 1 1 92 92 GLN CA C 92 57.055 57.055 58.437 -1.382 19614 2759 1 7 . 1 1 92 92 GLN CB C 92 28.937 28.937 28.469 0.468 19614 2760 1 7 . 1 1 92 92 GLN H H 92 7.683 7.683 8.240 -0.557 19614 2761 1 7 . 1 1 93 93 ARG N N 93 119.664 119.664 115.366 4.298 19614 2762 1 7 . 1 1 93 93 ARG HA H 93 4.238 4.238 4.487 -0.249 19614 2763 1 7 . 1 1 93 93 ARG C C 93 175.928 175.928 176.879 -0.951 19614 2764 1 7 . 1 1 93 93 ARG CA C 93 56.467 56.467 55.532 0.935 19614 2765 1 7 . 1 1 93 93 ARG CB C 93 30.459 30.459 29.565 0.894 19614 2766 1 7 . 1 1 93 93 ARG H H 93 7.786 7.786 7.576 0.210 19614 2767 1 7 . 1 1 94 94 ALA N N 94 124.562 124.562 122.227 2.335 19614 2768 1 7 . 1 1 94 94 ALA HA H 94 4.308 4.308 4.169 0.139 19614 2769 1 7 . 1 1 94 94 ALA C C 94 176.753 176.753 176.842 -0.089 19614 2770 1 7 . 1 1 94 94 ALA CA C 94 52.465 52.465 53.575 -1.110 19614 2771 1 7 . 1 1 94 94 ALA CB C 94 19.023 19.023 19.053 -0.030 19614 2772 1 7 . 1 1 94 94 ALA H H 94 8.017 8.017 7.688 0.329 19614 2773 1 8 . 1 1 27 27 LYS HA H 27 4.626 4.626 4.726 -0.100 19614 2774 1 8 . 1 1 27 27 LYS CA C 27 54.410 54.410 54.962 -0.551 19614 2775 1 8 . 1 1 27 27 LYS CB C 27 32.346 32.346 32.727 -0.381 19614 2776 1 8 . 1 1 28 28 PRO HA H 28 4.402 4.402 4.141 0.261 19614 2777 1 8 . 1 1 28 28 PRO C C 28 176.815 176.815 177.233 -0.418 19614 2778 1 8 . 1 1 28 28 PRO CA C 28 62.876 62.876 64.408 -1.532 19614 2779 1 8 . 1 1 28 28 PRO CB C 28 32.162 32.162 31.954 0.208 19614 2780 1 8 . 1 1 29 29 LYS N N 29 122.449 122.449 119.243 3.206 19614 2781 1 8 . 1 1 29 29 LYS HA H 29 4.297 4.297 4.449 -0.152 19614 2782 1 8 . 1 1 29 29 LYS C C 29 176.961 176.961 175.881 1.080 19614 2783 1 8 . 1 1 29 29 LYS CA C 29 56.463 56.463 55.923 0.540 19614 2784 1 8 . 1 1 29 29 LYS CB C 29 32.816 32.816 33.941 -1.125 19614 2785 1 8 . 1 1 29 29 LYS H H 29 8.586 8.586 7.873 0.713 19614 2786 1 8 . 1 1 30 30 THR N N 30 115.695 115.695 119.330 -3.635 19614 2787 1 8 . 1 1 30 30 THR HA H 30 4.293 4.293 4.452 -0.159 19614 2788 1 8 . 1 1 30 30 THR C C 30 174.354 174.354 173.453 0.901 19614 2789 1 8 . 1 1 30 30 THR CA C 30 61.555 61.555 61.934 -0.379 19614 2790 1 8 . 1 1 30 30 THR CB C 30 69.949 69.949 69.097 0.852 19614 2791 1 8 . 1 1 30 30 THR H H 30 8.219 8.219 8.533 -0.314 19614 2792 1 8 . 1 1 31 31 ALA N N 31 125.923 125.923 127.136 -1.213 19614 2793 1 8 . 1 1 31 31 ALA HA H 31 4.312 4.312 4.514 -0.202 19614 2794 1 8 . 1 1 31 31 ALA C C 31 178.014 178.014 177.440 0.574 19614 2795 1 8 . 1 1 31 31 ALA CA C 31 52.781 52.781 51.809 0.972 19614 2796 1 8 . 1 1 31 31 ALA CB C 31 19.125 19.125 19.362 -0.237 19614 2797 1 8 . 1 1 31 31 ALA H H 31 8.505 8.505 8.128 0.377 19614 2798 1 8 . 1 1 32 32 SER N N 32 115.249 115.249 118.990 -3.741 19614 2799 1 8 . 1 1 32 32 SER HA H 32 4.338 4.338 4.272 0.066 19614 2800 1 8 . 1 1 32 32 SER C C 32 174.783 174.783 174.596 0.187 19614 2801 1 8 . 1 1 32 32 SER CA C 32 58.633 58.633 58.844 -0.211 19614 2802 1 8 . 1 1 32 32 SER CB C 32 63.475 63.475 63.779 -0.304 19614 2803 1 8 . 1 1 32 32 SER H H 32 8.365 8.365 8.603 -0.238 19614 2804 1 8 . 1 1 33 33 GLU N N 33 122.748 122.748 127.596 -4.848 19614 2805 1 8 . 1 1 33 33 GLU HA H 33 4.205 4.205 4.134 0.071 19614 2806 1 8 . 1 1 33 33 GLU C C 33 176.411 176.411 176.532 -0.121 19614 2807 1 8 . 1 1 33 33 GLU CA C 33 56.678 56.678 56.423 0.255 19614 2808 1 8 . 1 1 33 33 GLU CB C 33 30.241 30.241 29.539 0.702 19614 2809 1 8 . 1 1 33 33 GLU H H 33 8.390 8.390 8.753 -0.363 19614 2810 1 8 . 1 1 34 34 HIS N N 34 120.453 120.453 123.363 -2.910 19614 2811 1 8 . 1 1 34 34 HIS HA H 34 4.605 4.605 4.607 -0.002 19614 2812 1 8 . 1 1 34 34 HIS C C 34 175.167 175.167 176.616 -1.449 19614 2813 1 8 . 1 1 34 34 HIS CA C 34 56.035 56.035 57.053 -1.018 19614 2814 1 8 . 1 1 34 34 HIS CB C 34 29.938 29.938 30.232 -0.294 19614 2815 1 8 . 1 1 34 34 HIS H H 34 8.431 8.431 8.235 0.196 19614 2816 1 8 . 1 1 35 35 ARG N N 35 122.797 122.797 118.627 4.170 19614 2817 1 8 . 1 1 35 35 ARG HA H 35 4.261 4.261 3.707 0.554 19614 2818 1 8 . 1 1 35 35 ARG C C 35 176.411 176.411 175.171 1.240 19614 2819 1 8 . 1 1 35 35 ARG CA C 35 56.306 56.306 58.344 -2.038 19614 2820 1 8 . 1 1 35 35 ARG CB C 35 30.587 30.587 29.258 1.329 19614 2821 1 8 . 1 1 35 35 ARG H H 35 8.419 8.419 8.133 0.286 19614 2822 1 8 . 1 1 36 36 LYS N N 36 122.974 122.974 120.982 1.992 19614 2823 1 8 . 1 1 36 36 LYS HA H 36 4.288 4.288 4.538 -0.250 19614 2824 1 8 . 1 1 36 36 LYS C C 36 176.738 176.738 175.125 1.613 19614 2825 1 8 . 1 1 36 36 LYS CA C 36 56.514 56.514 55.667 0.847 19614 2826 1 8 . 1 1 36 36 LYS CB C 36 32.857 32.857 32.862 -0.005 19614 2827 1 8 . 1 1 36 36 LYS H H 36 8.482 8.482 8.264 0.218 19614 2828 1 8 . 1 1 37 37 SER N N 37 117.137 117.137 119.605 -2.468 19614 2829 1 8 . 1 1 37 37 SER HA H 37 4.469 4.469 4.610 -0.141 19614 2830 1 8 . 1 1 37 37 SER C C 37 174.495 174.495 173.989 0.506 19614 2831 1 8 . 1 1 37 37 SER CA C 37 58.115 58.115 58.362 -0.247 19614 2832 1 8 . 1 1 37 37 SER CB C 37 63.627 63.627 65.048 -1.421 19614 2833 1 8 . 1 1 37 37 SER H H 37 8.410 8.410 8.696 -0.286 19614 2834 1 8 . 1 1 38 38 SER N N 38 118.622 118.622 116.861 1.761 19614 2835 1 8 . 1 1 38 38 SER HA H 38 4.467 4.467 4.711 -0.244 19614 2836 1 8 . 1 1 38 38 SER C C 38 174.332 174.332 173.020 1.312 19614 2837 1 8 . 1 1 38 38 SER CA C 38 58.187 58.187 57.473 0.714 19614 2838 1 8 . 1 1 38 38 SER CB C 38 63.703 63.703 65.614 -1.911 19614 2839 1 8 . 1 1 38 38 SER H H 38 8.456 8.456 7.730 0.726 19614 2840 1 8 . 1 1 39 39 LYS N N 39 124.176 124.176 121.456 2.720 19614 2841 1 8 . 1 1 39 39 LYS HA H 39 4.478 4.478 4.586 -0.108 19614 2842 1 8 . 1 1 39 39 LYS C C 39 174.904 174.904 176.765 -1.861 19614 2843 1 8 . 1 1 39 39 LYS CA C 39 56.707 56.707 54.030 2.677 19614 2844 1 8 . 1 1 39 39 LYS CB C 39 31.595 31.595 31.912 -0.317 19614 2845 1 8 . 1 1 39 39 LYS H H 39 8.489 8.489 8.569 -0.080 19614 2846 1 8 . 1 1 40 40 PRO HA H 40 4.401 4.401 4.297 0.104 19614 2847 1 8 . 1 1 40 40 PRO C C 40 178.173 178.173 178.710 -0.537 19614 2848 1 8 . 1 1 40 40 PRO CA C 40 64.315 64.315 65.635 -1.320 19614 2849 1 8 . 1 1 40 40 PRO CB C 40 31.675 31.675 31.887 -0.213 19614 2850 1 8 . 1 1 41 41 ILE N N 41 120.414 120.414 117.816 2.598 19614 2851 1 8 . 1 1 41 41 ILE HA H 41 3.967 3.967 3.933 0.035 19614 2852 1 8 . 1 1 41 41 ILE C C 41 177.393 177.393 177.431 -0.038 19614 2853 1 8 . 1 1 41 41 ILE CA C 41 62.575 62.575 64.442 -1.867 19614 2854 1 8 . 1 1 41 41 ILE CB C 41 37.900 37.900 37.771 0.129 19614 2855 1 8 . 1 1 41 41 ILE H H 41 8.011 8.011 7.841 0.170 19614 2856 1 8 . 1 1 42 42 MET N N 42 122.411 122.411 118.364 4.047 19614 2857 1 8 . 1 1 42 42 MET HA H 42 4.330 4.330 4.191 0.139 19614 2858 1 8 . 1 1 42 42 MET C C 42 178.050 178.050 178.724 -0.674 19614 2859 1 8 . 1 1 42 42 MET CA C 42 56.959 56.959 57.896 -0.937 19614 2860 1 8 . 1 1 42 42 MET CB C 42 32.024 32.024 31.064 0.960 19614 2861 1 8 . 1 1 42 42 MET H H 42 8.335 8.335 7.983 0.352 19614 2862 1 8 . 1 1 43 43 GLU N N 43 121.832 121.832 118.026 3.806 19614 2863 1 8 . 1 1 43 43 GLU HA H 43 4.193 4.193 4.072 0.121 19614 2864 1 8 . 1 1 43 43 GLU C C 43 177.835 177.835 178.728 -0.893 19614 2865 1 8 . 1 1 43 43 GLU CA C 43 58.157 58.157 59.022 -0.865 19614 2866 1 8 . 1 1 43 43 GLU CB C 43 29.543 29.543 28.866 0.677 19614 2867 1 8 . 1 1 43 43 GLU H H 43 8.397 8.397 8.707 -0.310 19614 2868 1 8 . 1 1 44 44 LYS N N 44 121.347 121.347 121.409 -0.062 19614 2869 1 8 . 1 1 44 44 LYS HA H 44 4.083 4.083 4.043 0.040 19614 2870 1 8 . 1 1 44 44 LYS C C 44 178.745 178.745 178.881 -0.136 19614 2871 1 8 . 1 1 44 44 LYS CA C 44 58.846 58.846 59.321 -0.475 19614 2872 1 8 . 1 1 44 44 LYS CB C 44 32.493 32.493 32.376 0.117 19614 2873 1 8 . 1 1 44 44 LYS H H 44 8.124 8.124 7.695 0.429 19614 2874 1 8 . 1 1 45 45 ARG N N 45 120.603 120.603 118.677 1.926 19614 2875 1 8 . 1 1 45 45 ARG HA H 45 4.247 4.247 3.951 0.296 19614 2876 1 8 . 1 1 45 45 ARG C C 45 178.025 178.025 178.733 -0.708 19614 2877 1 8 . 1 1 45 45 ARG CA C 45 58.201 58.201 59.768 -1.567 19614 2878 1 8 . 1 1 45 45 ARG CB C 45 29.888 29.888 30.043 -0.155 19614 2879 1 8 . 1 1 45 45 ARG H H 45 8.219 8.219 8.493 -0.274 19614 2880 1 8 . 1 1 46 46 ARG N N 46 121.714 121.714 119.616 2.098 19614 2881 1 8 . 1 1 46 46 ARG HA H 46 3.908 3.908 4.023 -0.115 19614 2882 1 8 . 1 1 46 46 ARG C C 46 177.855 177.855 178.193 -0.338 19614 2883 1 8 . 1 1 46 46 ARG CA C 46 59.726 59.726 59.389 0.337 19614 2884 1 8 . 1 1 46 46 ARG CB C 46 30.215 30.215 30.127 0.088 19614 2885 1 8 . 1 1 46 46 ARG H H 46 8.245 8.245 7.929 0.316 19614 2886 1 8 . 1 1 47 47 ARG N N 47 118.469 118.469 119.748 -1.279 19614 2887 1 8 . 1 1 47 47 ARG HA H 47 3.961 3.961 3.975 -0.014 19614 2888 1 8 . 1 1 47 47 ARG C C 47 177.899 177.899 178.399 -0.500 19614 2889 1 8 . 1 1 47 47 ARG CA C 47 58.541 58.541 59.362 -0.821 19614 2890 1 8 . 1 1 47 47 ARG CB C 47 29.704 29.704 30.145 -0.441 19614 2891 1 8 . 1 1 47 47 ARG H H 47 8.233 8.233 8.348 -0.115 19614 2892 1 8 . 1 1 48 48 ALA N N 48 121.720 121.720 121.229 0.491 19614 2893 1 8 . 1 1 48 48 ALA HA H 48 4.205 4.205 3.985 0.220 19614 2894 1 8 . 1 1 48 48 ALA C C 48 180.284 180.284 179.585 0.699 19614 2895 1 8 . 1 1 48 48 ALA CA C 48 54.815 54.815 55.288 -0.472 19614 2896 1 8 . 1 1 48 48 ALA CB C 48 18.025 18.025 18.399 -0.374 19614 2897 1 8 . 1 1 48 48 ALA H H 48 7.962 7.962 8.459 -0.497 19614 2898 1 8 . 1 1 49 49 ARG N N 49 119.603 119.603 118.676 0.927 19614 2899 1 8 . 1 1 49 49 ARG C C 49 179.589 179.589 178.899 0.690 19614 2900 1 8 . 1 1 49 49 ARG CA C 49 59.291 59.291 59.293 -0.002 19614 2901 1 8 . 1 1 49 49 ARG CB C 49 30.993 30.993 30.124 0.869 19614 2902 1 8 . 1 1 49 49 ARG H H 49 8.103 8.103 7.844 0.259 19614 2903 1 8 . 1 1 50 50 ILE N N 50 121.545 121.545 121.402 0.143 19614 2904 1 8 . 1 1 50 50 ILE HA H 50 3.662 3.662 3.538 0.124 19614 2905 1 8 . 1 1 50 50 ILE C C 50 177.372 177.372 177.768 -0.396 19614 2906 1 8 . 1 1 50 50 ILE CA C 50 65.302 65.302 65.669 -0.367 19614 2907 1 8 . 1 1 50 50 ILE CB C 50 38.216 38.216 37.397 0.819 19614 2908 1 8 . 1 1 50 50 ILE H H 50 8.145 8.145 8.657 -0.512 19614 2909 1 8 . 1 1 51 51 ASN N N 51 117.894 117.894 118.174 -0.280 19614 2910 1 8 . 1 1 51 51 ASN HA H 51 4.407 4.407 4.408 -0.001 19614 2911 1 8 . 1 1 51 51 ASN C C 51 178.725 178.725 178.248 0.477 19614 2912 1 8 . 1 1 51 51 ASN CA C 51 56.205 56.205 56.590 -0.384 19614 2913 1 8 . 1 1 51 51 ASN CB C 51 37.594 37.594 38.171 -0.577 19614 2914 1 8 . 1 1 51 51 ASN H H 51 8.431 8.431 8.098 0.333 19614 2915 1 8 . 1 1 52 52 GLU N N 52 121.612 121.612 120.996 0.616 19614 2916 1 8 . 1 1 52 52 GLU HA H 52 4.205 4.205 4.101 0.104 19614 2917 1 8 . 1 1 52 52 GLU C C 52 179.243 179.243 179.241 0.002 19614 2918 1 8 . 1 1 52 52 GLU CA C 52 59.291 59.291 59.357 -0.066 19614 2919 1 8 . 1 1 52 52 GLU CB C 52 29.101 29.101 29.135 -0.034 19614 2920 1 8 . 1 1 52 52 GLU H H 52 8.299 8.299 8.568 -0.269 19614 2921 1 8 . 1 1 53 53 SER N N 53 116.604 116.604 116.441 0.163 19614 2922 1 8 . 1 1 53 53 SER C C 53 176.283 176.283 176.710 -0.427 19614 2923 1 8 . 1 1 53 53 SER CA C 53 63.032 63.032 61.886 1.146 19614 2924 1 8 . 1 1 53 53 SER H H 53 8.254 8.254 8.222 0.032 19614 2925 1 8 . 1 1 54 54 LEU N N 54 121.925 121.925 122.662 -0.737 19614 2926 1 8 . 1 1 54 54 LEU HA H 54 3.962 3.962 3.972 -0.010 19614 2927 1 8 . 1 1 54 54 LEU C C 54 178.897 178.897 178.228 0.669 19614 2928 1 8 . 1 1 54 54 LEU CA C 54 58.116 58.116 58.248 -0.132 19614 2929 1 8 . 1 1 54 54 LEU CB C 54 41.576 41.576 41.995 -0.418 19614 2930 1 8 . 1 1 54 54 LEU H H 54 8.693 8.693 8.546 0.147 19614 2931 1 8 . 1 1 55 55 SER N N 55 114.515 114.515 114.903 -0.388 19614 2932 1 8 . 1 1 55 55 SER HA H 55 4.181 4.181 4.126 0.055 19614 2933 1 8 . 1 1 55 55 SER C C 55 177.381 177.381 176.694 0.687 19614 2934 1 8 . 1 1 55 55 SER CA C 55 61.568 61.568 62.562 -0.994 19614 2935 1 8 . 1 1 55 55 SER CB C 55 62.527 62.527 62.988 -0.461 19614 2936 1 8 . 1 1 55 55 SER H H 55 7.823 7.823 8.557 -0.734 19614 2937 1 8 . 1 1 56 56 GLN N N 56 120.605 120.605 121.924 -1.319 19614 2938 1 8 . 1 1 56 56 GLN HA H 56 4.087 4.087 4.142 -0.055 19614 2939 1 8 . 1 1 56 56 GLN C C 56 178.904 178.904 177.907 0.997 19614 2940 1 8 . 1 1 56 56 GLN CA C 56 58.679 58.679 58.375 0.304 19614 2941 1 8 . 1 1 56 56 GLN CB C 56 28.669 28.669 28.376 0.293 19614 2942 1 8 . 1 1 56 56 GLN H H 56 7.886 7.886 7.785 0.101 19614 2943 1 8 . 1 1 57 57 LEU N N 57 120.488 120.488 123.606 -3.118 19614 2944 1 8 . 1 1 57 57 LEU HA H 57 3.953 3.953 4.006 -0.053 19614 2945 1 8 . 1 1 57 57 LEU C C 57 177.406 177.406 178.580 -1.174 19614 2946 1 8 . 1 1 57 57 LEU CA C 57 57.957 57.957 58.057 -0.100 19614 2947 1 8 . 1 1 57 57 LEU CB C 57 41.486 41.486 41.147 0.339 19614 2948 1 8 . 1 1 57 57 LEU H H 57 8.845 8.845 8.391 0.454 19614 2949 1 8 . 1 1 58 58 LYS N N 58 118.053 118.053 118.987 -0.934 19614 2950 1 8 . 1 1 58 58 LYS C C 58 176.891 176.891 179.318 -2.427 19614 2951 1 8 . 1 1 58 58 LYS CA C 58 60.535 60.535 59.586 0.949 19614 2952 1 8 . 1 1 58 58 LYS CB C 58 31.903 31.903 32.094 -0.191 19614 2953 1 8 . 1 1 58 58 LYS H H 58 8.145 8.145 8.056 0.089 19614 2954 1 8 . 1 1 59 59 THR N N 59 112.948 112.948 116.900 -3.952 19614 2955 1 8 . 1 1 59 59 THR HA H 59 3.812 3.812 3.954 -0.142 19614 2956 1 8 . 1 1 59 59 THR C C 59 176.273 176.273 176.682 -0.409 19614 2957 1 8 . 1 1 59 59 THR CA C 59 66.367 66.367 67.090 -0.723 19614 2958 1 8 . 1 1 59 59 THR CB C 59 68.902 68.902 68.764 0.138 19614 2959 1 8 . 1 1 59 59 THR H H 59 7.393 7.393 7.877 -0.484 19614 2960 1 8 . 1 1 60 60 LEU N N 60 120.435 120.435 121.228 -0.793 19614 2961 1 8 . 1 1 60 60 LEU HA H 60 4.066 4.066 4.043 0.023 19614 2962 1 8 . 1 1 60 60 LEU C C 60 179.994 179.994 179.010 0.984 19614 2963 1 8 . 1 1 60 60 LEU CA C 60 58.096 58.096 58.396 -0.300 19614 2964 1 8 . 1 1 60 60 LEU CB C 60 43.107 43.107 41.294 1.812 19614 2965 1 8 . 1 1 60 60 LEU H H 60 8.005 8.005 8.442 -0.437 19614 2966 1 8 . 1 1 61 61 ILE N N 61 120.041 120.041 120.222 -0.181 19614 2967 1 8 . 1 1 61 61 ILE HA H 61 3.934 3.934 3.747 0.187 19614 2968 1 8 . 1 1 61 61 ILE C C 61 176.957 176.957 178.114 -1.157 19614 2969 1 8 . 1 1 61 61 ILE CA C 61 60.979 60.979 63.597 -2.618 19614 2970 1 8 . 1 1 61 61 ILE CB C 61 37.229 37.229 36.986 0.243 19614 2971 1 8 . 1 1 61 61 ILE H H 61 8.847 8.847 7.697 1.149 19614 2972 1 8 . 1 1 62 62 LEU N N 62 121.236 121.236 121.125 0.111 19614 2973 1 8 . 1 1 62 62 LEU HA H 62 3.909 3.909 3.905 0.004 19614 2974 1 8 . 1 1 62 62 LEU C C 62 179.562 179.562 178.410 1.152 19614 2975 1 8 . 1 1 62 62 LEU CA C 62 58.035 58.035 57.840 0.195 19614 2976 1 8 . 1 1 62 62 LEU CB C 62 40.219 40.219 40.959 -0.740 19614 2977 1 8 . 1 1 62 62 LEU H H 62 7.944 7.944 8.111 -0.167 19614 2978 1 8 . 1 1 63 63 ASP N N 63 117.983 117.983 119.487 -1.504 19614 2979 1 8 . 1 1 63 63 ASP HA H 63 4.458 4.458 4.387 0.071 19614 2980 1 8 . 1 1 63 63 ASP C C 63 178.858 178.858 177.967 0.891 19614 2981 1 8 . 1 1 63 63 ASP CA C 63 56.964 56.964 56.893 0.071 19614 2982 1 8 . 1 1 63 63 ASP CB C 63 40.822 40.822 41.049 -0.227 19614 2983 1 8 . 1 1 63 63 ASP H H 63 7.844 7.844 8.085 -0.241 19614 2984 1 8 . 1 1 64 64 ALA N N 64 122.425 122.425 120.696 1.729 19614 2985 1 8 . 1 1 64 64 ALA HA H 64 4.086 4.086 4.201 -0.115 19614 2986 1 8 . 1 1 64 64 ALA C C 64 179.354 179.354 179.006 0.348 19614 2987 1 8 . 1 1 64 64 ALA CA C 64 54.396 54.396 54.633 -0.236 19614 2988 1 8 . 1 1 64 64 ALA CB C 64 17.785 17.785 19.546 -1.761 19614 2989 1 8 . 1 1 64 64 ALA H H 64 7.869 7.869 7.857 0.012 19614 2990 1 8 . 1 1 65 65 LEU N N 65 116.489 116.489 115.751 0.738 19614 2991 1 8 . 1 1 65 65 LEU HA H 65 4.222 4.222 4.177 0.045 19614 2992 1 8 . 1 1 65 65 LEU C C 65 176.661 176.661 176.761 -0.100 19614 2993 1 8 . 1 1 65 65 LEU CA C 65 54.642 54.642 54.927 -0.285 19614 2994 1 8 . 1 1 65 65 LEU CB C 65 41.957 41.957 42.397 -0.440 19614 2995 1 8 . 1 1 65 65 LEU H H 65 7.669 7.669 7.544 0.125 19614 2996 1 8 . 1 1 66 66 LYS N N 66 118.229 118.229 116.775 1.454 19614 2997 1 8 . 1 1 66 66 LYS HA H 66 4.058 4.058 3.997 0.061 19614 2998 1 8 . 1 1 66 66 LYS C C 66 176.651 176.651 176.413 0.238 19614 2999 1 8 . 1 1 66 66 LYS CA C 66 57.100 57.100 56.976 0.124 19614 3000 1 8 . 1 1 66 66 LYS CB C 66 30.249 30.249 29.535 0.714 19614 3001 1 8 . 1 1 66 66 LYS H H 66 7.806 7.806 7.752 0.054 19614 3002 1 8 . 1 1 67 67 LYS N N 67 119.380 119.380 118.289 1.091 19614 3003 1 8 . 1 1 67 67 LYS HA H 67 4.278 4.278 4.035 0.243 19614 3004 1 8 . 1 1 67 67 LYS C C 67 176.163 176.163 176.937 -0.774 19614 3005 1 8 . 1 1 67 67 LYS CA C 67 55.658 55.658 58.400 -2.741 19614 3006 1 8 . 1 1 67 67 LYS CB C 67 33.462 33.462 32.815 0.647 19614 3007 1 8 . 1 1 67 67 LYS H H 67 8.249 8.249 7.953 0.296 19614 3008 1 8 . 1 1 68 68 ASP N N 68 120.812 120.812 114.286 6.526 19614 3009 1 8 . 1 1 68 68 ASP HA H 68 4.601 4.601 4.612 -0.011 19614 3010 1 8 . 1 1 68 68 ASP C C 68 177.001 177.001 175.562 1.439 19614 3011 1 8 . 1 1 68 68 ASP CA C 68 54.192 54.192 54.048 0.144 19614 3012 1 8 . 1 1 68 68 ASP CB C 68 41.383 41.383 42.248 -0.865 19614 3013 1 8 . 1 1 68 68 ASP H H 68 8.350 8.350 8.009 0.341 19614 3014 1 8 . 1 1 69 69 SER N N 69 119.061 119.061 117.165 1.896 19614 3015 1 8 . 1 1 69 69 SER HA H 69 4.199 4.199 4.627 -0.428 19614 3016 1 8 . 1 1 69 69 SER C C 69 175.643 175.643 175.440 0.203 19614 3017 1 8 . 1 1 69 69 SER CA C 69 59.636 59.636 59.859 -0.223 19614 3018 1 8 . 1 1 69 69 SER CB C 69 63.237 63.237 63.632 -0.395 19614 3019 1 8 . 1 1 69 69 SER H H 69 8.608 8.608 8.584 0.024 19614 3020 1 8 . 1 1 70 70 SER N N 70 118.325 118.325 117.044 1.281 19614 3021 1 8 . 1 1 70 70 SER HA H 70 4.335 4.335 4.381 -0.046 19614 3022 1 8 . 1 1 70 70 SER C C 70 175.275 175.275 175.547 -0.272 19614 3023 1 8 . 1 1 70 70 SER CA C 70 59.700 59.700 61.124 -1.424 19614 3024 1 8 . 1 1 70 70 SER CB C 70 63.243 63.243 63.574 -0.331 19614 3025 1 8 . 1 1 70 70 SER H H 70 8.514 8.514 7.901 0.613 19614 3026 1 8 . 1 1 71 71 ARG N N 71 121.317 121.317 118.336 2.981 19614 3027 1 8 . 1 1 71 71 ARG HA H 71 4.231 4.231 4.254 -0.023 19614 3028 1 8 . 1 1 71 71 ARG C C 71 176.223 176.223 175.409 0.814 19614 3029 1 8 . 1 1 71 71 ARG CA C 71 56.368 56.368 56.580 -0.211 19614 3030 1 8 . 1 1 71 71 ARG CB C 71 30.148 30.148 30.164 -0.016 19614 3031 1 8 . 1 1 71 71 ARG H H 71 7.965 7.965 8.226 -0.261 19614 3032 1 8 . 1 1 72 72 HIS N N 72 118.894 118.894 117.339 1.555 19614 3033 1 8 . 1 1 72 72 HIS HA H 72 4.663 4.663 4.572 0.091 19614 3034 1 8 . 1 1 72 72 HIS C C 72 175.122 175.122 175.848 -0.726 19614 3035 1 8 . 1 1 72 72 HIS CA C 72 55.935 55.935 56.639 -0.704 19614 3036 1 8 . 1 1 72 72 HIS CB C 72 29.974 29.974 31.802 -1.828 19614 3037 1 8 . 1 1 72 72 HIS H H 72 8.036 8.036 7.567 0.469 19614 3038 1 8 . 1 1 73 73 SER N N 73 116.302 116.302 114.001 2.301 19614 3039 1 8 . 1 1 73 73 SER HA H 73 4.313 4.313 3.801 0.512 19614 3040 1 8 . 1 1 73 73 SER C C 73 174.559 174.559 173.857 0.702 19614 3041 1 8 . 1 1 73 73 SER CA C 73 59.297 59.297 61.064 -1.767 19614 3042 1 8 . 1 1 73 73 SER CB C 73 63.522 63.522 62.237 1.285 19614 3043 1 8 . 1 1 73 73 SER H H 73 8.029 8.029 7.989 0.040 19614 3044 1 8 . 1 1 74 74 LYS N N 74 122.545 122.545 122.869 -0.324 19614 3045 1 8 . 1 1 74 74 LYS HA H 74 4.336 4.336 4.399 -0.063 19614 3046 1 8 . 1 1 74 74 LYS C C 74 175.929 175.929 175.789 0.140 19614 3047 1 8 . 1 1 74 74 LYS CA C 74 55.918 55.918 54.849 1.069 19614 3048 1 8 . 1 1 74 74 LYS CB C 74 32.143 32.143 32.616 -0.473 19614 3049 1 8 . 1 1 74 74 LYS H H 74 8.394 8.394 8.054 0.340 19614 3050 1 8 . 1 1 75 75 LEU N N 75 123.393 123.393 122.417 0.976 19614 3051 1 8 . 1 1 75 75 LEU HA H 75 4.402 4.402 4.423 -0.021 19614 3052 1 8 . 1 1 75 75 LEU C C 75 176.575 176.575 176.312 0.263 19614 3053 1 8 . 1 1 75 75 LEU CA C 75 54.697 54.697 53.681 1.016 19614 3054 1 8 . 1 1 75 75 LEU CB C 75 43.481 43.481 42.731 0.750 19614 3055 1 8 . 1 1 75 75 LEU H H 75 7.943 7.943 7.552 0.391 19614 3056 1 8 . 1 1 76 76 GLU N N 76 123.357 123.357 125.884 -2.527 19614 3057 1 8 . 1 1 76 76 GLU HA H 76 4.551 4.551 4.370 0.181 19614 3058 1 8 . 1 1 76 76 GLU C C 76 177.445 177.445 177.126 0.319 19614 3059 1 8 . 1 1 76 76 GLU CA C 76 54.962 54.962 55.763 -0.801 19614 3060 1 8 . 1 1 76 76 GLU CB C 76 31.245 31.245 30.917 0.328 19614 3061 1 8 . 1 1 76 76 GLU H H 76 9.136 9.136 8.545 0.591 19614 3062 1 8 . 1 1 77 77 LYS N N 77 122.655 122.655 123.979 -1.324 19614 3063 1 8 . 1 1 77 77 LYS HA H 77 3.830 3.830 3.920 -0.090 19614 3064 1 8 . 1 1 77 77 LYS C C 77 177.908 177.908 178.341 -0.433 19614 3065 1 8 . 1 1 77 77 LYS CA C 77 61.105 61.105 60.193 0.912 19614 3066 1 8 . 1 1 77 77 LYS CB C 77 32.423 32.423 32.361 0.062 19614 3067 1 8 . 1 1 77 77 LYS H H 77 8.858 8.858 8.773 0.085 19614 3068 1 8 . 1 1 78 78 ALA N N 78 118.008 118.008 118.702 -0.694 19614 3069 1 8 . 1 1 78 78 ALA HA H 78 3.892 3.892 4.186 -0.294 19614 3070 1 8 . 1 1 78 78 ALA C C 78 179.758 179.758 179.711 0.047 19614 3071 1 8 . 1 1 78 78 ALA CA C 78 55.456 55.456 54.719 0.737 19614 3072 1 8 . 1 1 78 78 ALA CB C 78 17.839 17.839 18.030 -0.191 19614 3073 1 8 . 1 1 78 78 ALA H H 78 9.131 9.131 8.359 0.772 19614 3074 1 8 . 1 1 79 79 ASP N N 79 114.744 114.744 119.372 -4.628 19614 3075 1 8 . 1 1 79 79 ASP HA H 79 4.346 4.346 4.573 -0.227 19614 3076 1 8 . 1 1 79 79 ASP C C 79 178.104 178.104 178.481 -0.377 19614 3077 1 8 . 1 1 79 79 ASP CA C 79 57.088 57.088 56.474 0.614 19614 3078 1 8 . 1 1 79 79 ASP CB C 79 41.728 41.728 40.966 0.762 19614 3079 1 8 . 1 1 79 79 ASP H H 79 7.052 7.052 7.837 -0.785 19614 3080 1 8 . 1 1 80 80 ILE N N 80 119.398 119.398 120.844 -1.446 19614 3081 1 8 . 1 1 80 80 ILE HA H 80 3.592 3.592 3.591 0.001 19614 3082 1 8 . 1 1 80 80 ILE C C 80 179.567 179.567 177.955 1.612 19614 3083 1 8 . 1 1 80 80 ILE CA C 80 64.201 64.201 65.970 -1.769 19614 3084 1 8 . 1 1 80 80 ILE CB C 80 37.514 37.514 37.986 -0.472 19614 3085 1 8 . 1 1 80 80 ILE H H 80 7.983 7.983 8.115 -0.132 19614 3086 1 8 . 1 1 81 81 LEU N N 81 120.930 120.930 119.633 1.297 19614 3087 1 8 . 1 1 81 81 LEU HA H 81 3.931 3.931 3.954 -0.023 19614 3088 1 8 . 1 1 81 81 LEU C C 81 178.312 178.312 178.932 -0.620 19614 3089 1 8 . 1 1 81 81 LEU CA C 81 58.588 58.588 58.837 -0.249 19614 3090 1 8 . 1 1 81 81 LEU CB C 81 41.727 41.727 41.344 0.383 19614 3091 1 8 . 1 1 81 81 LEU H H 81 8.171 8.171 7.997 0.174 19614 3092 1 8 . 1 1 82 82 GLU N N 82 119.314 119.314 118.815 0.499 19614 3093 1 8 . 1 1 82 82 GLU HA H 82 3.917 3.917 3.988 -0.071 19614 3094 1 8 . 1 1 82 82 GLU C C 82 180.151 180.151 178.928 1.223 19614 3095 1 8 . 1 1 82 82 GLU CA C 82 59.864 59.864 58.921 0.943 19614 3096 1 8 . 1 1 82 82 GLU CB C 82 29.364 29.364 29.293 0.072 19614 3097 1 8 . 1 1 82 82 GLU H H 82 7.984 7.984 7.985 -0.001 19614 3098 1 8 . 1 1 83 83 MET N N 83 118.669 118.669 121.338 -2.669 19614 3099 1 8 . 1 1 83 83 MET HA H 83 4.033 4.033 4.182 -0.149 19614 3100 1 8 . 1 1 83 83 MET C C 83 178.488 178.488 178.146 0.342 19614 3101 1 8 . 1 1 83 83 MET CA C 83 59.083 59.083 57.863 1.220 19614 3102 1 8 . 1 1 83 83 MET CB C 83 33.883 33.883 32.079 1.804 19614 3103 1 8 . 1 1 83 83 MET H H 83 8.639 8.639 7.977 0.662 19614 3104 1 8 . 1 1 84 84 THR N N 84 118.733 118.733 116.784 1.949 19614 3105 1 8 . 1 1 84 84 THR HA H 84 3.853 3.853 4.002 -0.149 19614 3106 1 8 . 1 1 84 84 THR C C 84 175.659 175.659 176.619 -0.960 19614 3107 1 8 . 1 1 84 84 THR CA C 84 68.029 68.029 66.935 1.094 19614 3108 1 8 . 1 1 84 84 THR CB C 84 67.595 67.595 68.621 -1.026 19614 3109 1 8 . 1 1 84 84 THR H H 84 7.946 7.946 7.717 0.229 19614 3110 1 8 . 1 1 85 85 VAL N N 85 122.083 122.083 121.261 0.822 19614 3111 1 8 . 1 1 85 85 VAL HA H 85 3.311 3.311 3.681 -0.370 19614 3112 1 8 . 1 1 85 85 VAL C C 85 177.078 177.078 177.814 -0.736 19614 3113 1 8 . 1 1 85 85 VAL CA C 85 67.381 67.381 66.270 1.111 19614 3114 1 8 . 1 1 85 85 VAL CB C 85 32.168 32.168 30.959 1.210 19614 3115 1 8 . 1 1 85 85 VAL H H 85 8.089 8.089 7.556 0.533 19614 3116 1 8 . 1 1 86 86 LYS N N 86 117.409 117.409 119.703 -2.294 19614 3117 1 8 . 1 1 86 86 LYS HA H 86 3.835 3.835 3.990 -0.155 19614 3118 1 8 . 1 1 86 86 LYS C C 86 178.617 178.617 178.999 -0.382 19614 3119 1 8 . 1 1 86 86 LYS CA C 86 60.014 60.014 59.892 0.121 19614 3120 1 8 . 1 1 86 86 LYS CB C 86 32.336 32.336 32.175 0.161 19614 3121 1 8 . 1 1 86 86 LYS H H 86 7.785 7.785 8.442 -0.657 19614 3122 1 8 . 1 1 87 87 HIS N N 87 118.731 118.731 119.629 -0.898 19614 3123 1 8 . 1 1 87 87 HIS HA H 87 4.513 4.513 4.393 0.120 19614 3124 1 8 . 1 1 87 87 HIS C C 87 177.356 177.356 177.234 0.122 19614 3125 1 8 . 1 1 87 87 HIS CA C 87 59.368 59.368 58.620 0.748 19614 3126 1 8 . 1 1 87 87 HIS CB C 87 32.047 32.047 29.785 2.262 19614 3127 1 8 . 1 1 87 87 HIS H H 87 8.055 8.055 8.347 -0.292 19614 3128 1 8 . 1 1 88 88 LEU N N 88 117.189 117.189 120.814 -3.625 19614 3129 1 8 . 1 1 88 88 LEU C C 88 180.158 180.158 178.534 1.624 19614 3130 1 8 . 1 1 88 88 LEU CA C 88 57.927 57.927 57.938 -0.011 19614 3131 1 8 . 1 1 88 88 LEU CB C 88 41.748 41.748 41.572 0.176 19614 3132 1 8 . 1 1 88 88 LEU H H 88 8.450 8.450 8.012 0.438 19614 3133 1 8 . 1 1 89 89 ARG N N 89 119.542 119.542 119.051 0.491 19614 3134 1 8 . 1 1 89 89 ARG HA H 89 3.901 3.901 3.960 -0.059 19614 3135 1 8 . 1 1 89 89 ARG C C 89 178.875 178.875 178.903 -0.028 19614 3136 1 8 . 1 1 89 89 ARG CA C 89 59.667 59.667 58.123 1.544 19614 3137 1 8 . 1 1 89 89 ARG CB C 89 29.542 29.542 28.809 0.733 19614 3138 1 8 . 1 1 89 89 ARG H H 89 8.616 8.616 7.804 0.812 19614 3139 1 8 . 1 1 90 90 ASN N N 90 118.676 118.676 118.940 -0.264 19614 3140 1 8 . 1 1 90 90 ASN HA H 90 4.478 4.478 4.498 -0.020 19614 3141 1 8 . 1 1 90 90 ASN C C 90 177.824 177.824 178.419 -0.595 19614 3142 1 8 . 1 1 90 90 ASN CA C 90 55.393 55.393 55.829 -0.436 19614 3143 1 8 . 1 1 90 90 ASN CB C 90 37.874 37.874 38.139 -0.265 19614 3144 1 8 . 1 1 90 90 ASN H H 90 7.935 7.935 7.989 -0.054 19614 3145 1 8 . 1 1 91 91 LEU N N 91 119.885 119.885 121.004 -1.119 19614 3146 1 8 . 1 1 91 91 LEU HA H 91 4.045 4.045 4.002 0.043 19614 3147 1 8 . 1 1 91 91 LEU C C 91 178.707 178.707 179.349 -0.642 19614 3148 1 8 . 1 1 91 91 LEU CA C 91 56.705 56.705 57.703 -0.998 19614 3149 1 8 . 1 1 91 91 LEU CB C 91 41.918 41.918 41.576 0.342 19614 3150 1 8 . 1 1 91 91 LEU H H 91 7.890 7.890 8.316 -0.426 19614 3151 1 8 . 1 1 92 92 GLN N N 92 118.288 118.288 117.285 1.003 19614 3152 1 8 . 1 1 92 92 GLN HA H 92 4.149 4.149 4.119 0.030 19614 3153 1 8 . 1 1 92 92 GLN C C 92 176.562 176.562 177.472 -0.910 19614 3154 1 8 . 1 1 92 92 GLN CA C 92 57.055 57.055 58.238 -1.183 19614 3155 1 8 . 1 1 92 92 GLN CB C 92 28.937 28.937 28.717 0.220 19614 3156 1 8 . 1 1 92 92 GLN H H 92 7.683 7.683 8.075 -0.392 19614 3157 1 8 . 1 1 93 93 ARG N N 93 119.664 119.664 114.864 4.800 19614 3158 1 8 . 1 1 93 93 ARG HA H 93 4.238 4.238 4.585 -0.347 19614 3159 1 8 . 1 1 93 93 ARG C C 93 175.928 175.928 176.203 -0.275 19614 3160 1 8 . 1 1 93 93 ARG CA C 93 56.467 56.467 55.212 1.255 19614 3161 1 8 . 1 1 93 93 ARG CB C 93 30.459 30.459 29.247 1.212 19614 3162 1 8 . 1 1 93 93 ARG H H 93 7.786 7.786 7.709 0.077 19614 3163 1 8 . 1 1 94 94 ALA N N 94 124.562 124.562 122.141 2.421 19614 3164 1 8 . 1 1 94 94 ALA HA H 94 4.308 4.308 4.251 0.057 19614 3165 1 8 . 1 1 94 94 ALA C C 94 176.753 176.753 176.778 -0.025 19614 3166 1 8 . 1 1 94 94 ALA CA C 94 52.465 52.465 53.283 -0.818 19614 3167 1 8 . 1 1 94 94 ALA CB C 94 19.023 19.023 19.133 -0.110 19614 3168 1 8 . 1 1 94 94 ALA H H 94 8.017 8.017 7.625 0.392 19614 3169 1 9 . 1 1 27 27 LYS HA H 27 4.626 4.626 4.743 -0.117 19614 3170 1 9 . 1 1 27 27 LYS CA C 27 54.410 54.410 54.338 0.072 19614 3171 1 9 . 1 1 27 27 LYS CB C 27 32.346 32.346 32.781 -0.435 19614 3172 1 9 . 1 1 28 28 PRO HA H 28 4.402 4.402 4.522 -0.120 19614 3173 1 9 . 1 1 28 28 PRO C C 28 176.815 176.815 176.501 0.314 19614 3174 1 9 . 1 1 28 28 PRO CA C 28 62.876 62.876 62.206 0.670 19614 3175 1 9 . 1 1 28 28 PRO CB C 28 32.162 32.162 32.686 -0.524 19614 3176 1 9 . 1 1 29 29 LYS N N 29 122.449 122.449 121.114 1.335 19614 3177 1 9 . 1 1 29 29 LYS HA H 29 4.297 4.297 4.123 0.174 19614 3178 1 9 . 1 1 29 29 LYS C C 29 176.961 176.961 175.995 0.966 19614 3179 1 9 . 1 1 29 29 LYS CA C 29 56.463 56.463 57.020 -0.557 19614 3180 1 9 . 1 1 29 29 LYS CB C 29 32.816 32.816 32.389 0.427 19614 3181 1 9 . 1 1 29 29 LYS H H 29 8.586 8.586 8.379 0.207 19614 3182 1 9 . 1 1 30 30 THR N N 30 115.695 115.695 120.082 -4.387 19614 3183 1 9 . 1 1 30 30 THR HA H 30 4.293 4.293 3.833 0.460 19614 3184 1 9 . 1 1 30 30 THR C C 30 174.354 174.354 173.591 0.763 19614 3185 1 9 . 1 1 30 30 THR CA C 30 61.555 61.555 62.233 -0.678 19614 3186 1 9 . 1 1 30 30 THR CB C 30 69.949 69.949 68.050 1.899 19614 3187 1 9 . 1 1 30 30 THR H H 30 8.219 8.219 8.358 -0.139 19614 3188 1 9 . 1 1 31 31 ALA N N 31 125.923 125.923 128.854 -2.931 19614 3189 1 9 . 1 1 31 31 ALA HA H 31 4.312 4.312 4.461 -0.149 19614 3190 1 9 . 1 1 31 31 ALA C C 31 178.014 178.014 177.052 0.962 19614 3191 1 9 . 1 1 31 31 ALA CA C 31 52.781 52.781 52.986 -0.205 19614 3192 1 9 . 1 1 31 31 ALA CB C 31 19.125 19.125 19.731 -0.606 19614 3193 1 9 . 1 1 31 31 ALA H H 31 8.505 8.505 8.431 0.074 19614 3194 1 9 . 1 1 32 32 SER N N 32 115.249 115.249 116.614 -1.365 19614 3195 1 9 . 1 1 32 32 SER HA H 32 4.338 4.338 4.792 -0.454 19614 3196 1 9 . 1 1 32 32 SER C C 32 174.783 174.783 173.858 0.925 19614 3197 1 9 . 1 1 32 32 SER CA C 32 58.633 58.633 57.244 1.389 19614 3198 1 9 . 1 1 32 32 SER CB C 32 63.475 63.475 63.629 -0.154 19614 3199 1 9 . 1 1 32 32 SER H H 32 8.365 8.365 7.961 0.404 19614 3200 1 9 . 1 1 33 33 GLU N N 33 122.748 122.748 122.769 -0.021 19614 3201 1 9 . 1 1 33 33 GLU HA H 33 4.205 4.205 4.228 -0.023 19614 3202 1 9 . 1 1 33 33 GLU C C 33 176.411 176.411 175.976 0.435 19614 3203 1 9 . 1 1 33 33 GLU CA C 33 56.678 56.678 58.146 -1.468 19614 3204 1 9 . 1 1 33 33 GLU CB C 33 30.241 30.241 29.329 0.911 19614 3205 1 9 . 1 1 33 33 GLU H H 33 8.390 8.390 8.648 -0.258 19614 3206 1 9 . 1 1 34 34 HIS N N 34 120.453 120.453 120.677 -0.224 19614 3207 1 9 . 1 1 34 34 HIS HA H 34 4.605 4.605 4.818 -0.213 19614 3208 1 9 . 1 1 34 34 HIS C C 34 175.167 175.167 175.235 -0.068 19614 3209 1 9 . 1 1 34 34 HIS CA C 34 56.035 56.035 55.933 0.102 19614 3210 1 9 . 1 1 34 34 HIS CB C 34 29.938 29.938 30.193 -0.255 19614 3211 1 9 . 1 1 34 34 HIS H H 34 8.431 8.431 8.174 0.257 19614 3212 1 9 . 1 1 35 35 ARG N N 35 122.797 122.797 121.676 1.121 19614 3213 1 9 . 1 1 35 35 ARG HA H 35 4.261 4.261 4.220 0.041 19614 3214 1 9 . 1 1 35 35 ARG C C 35 176.411 176.411 175.599 0.812 19614 3215 1 9 . 1 1 35 35 ARG CA C 35 56.306 56.306 56.181 0.125 19614 3216 1 9 . 1 1 35 35 ARG CB C 35 30.587 30.587 31.009 -0.423 19614 3217 1 9 . 1 1 35 35 ARG H H 35 8.419 8.419 7.918 0.501 19614 3218 1 9 . 1 1 36 36 LYS N N 36 122.974 122.974 119.890 3.084 19614 3219 1 9 . 1 1 36 36 LYS HA H 36 4.288 4.288 4.093 0.195 19614 3220 1 9 . 1 1 36 36 LYS C C 36 176.738 176.738 175.032 1.706 19614 3221 1 9 . 1 1 36 36 LYS CA C 36 56.514 56.514 56.729 -0.215 19614 3222 1 9 . 1 1 36 36 LYS CB C 36 32.857 32.857 31.512 1.345 19614 3223 1 9 . 1 1 36 36 LYS H H 36 8.482 8.482 8.191 0.291 19614 3224 1 9 . 1 1 37 37 SER N N 37 117.137 117.137 120.083 -2.946 19614 3225 1 9 . 1 1 37 37 SER HA H 37 4.469 4.469 4.627 -0.158 19614 3226 1 9 . 1 1 37 37 SER C C 37 174.495 174.495 174.093 0.402 19614 3227 1 9 . 1 1 37 37 SER CA C 37 58.115 58.115 58.141 -0.025 19614 3228 1 9 . 1 1 37 37 SER CB C 37 63.627 63.627 63.402 0.225 19614 3229 1 9 . 1 1 37 37 SER H H 37 8.410 8.410 8.255 0.155 19614 3230 1 9 . 1 1 38 38 SER N N 38 118.622 118.622 118.488 0.134 19614 3231 1 9 . 1 1 38 38 SER HA H 38 4.467 4.467 4.588 -0.121 19614 3232 1 9 . 1 1 38 38 SER C C 38 174.332 174.332 174.126 0.206 19614 3233 1 9 . 1 1 38 38 SER CA C 38 58.187 58.187 58.645 -0.458 19614 3234 1 9 . 1 1 38 38 SER CB C 38 63.703 63.703 64.064 -0.361 19614 3235 1 9 . 1 1 38 38 SER H H 38 8.456 8.456 8.403 0.053 19614 3236 1 9 . 1 1 39 39 LYS N N 39 124.176 124.176 123.670 0.506 19614 3237 1 9 . 1 1 39 39 LYS HA H 39 4.478 4.478 4.797 -0.319 19614 3238 1 9 . 1 1 39 39 LYS C C 39 174.904 174.904 175.074 -0.170 19614 3239 1 9 . 1 1 39 39 LYS CA C 39 56.707 56.707 53.287 3.420 19614 3240 1 9 . 1 1 39 39 LYS CB C 39 31.595 31.595 32.885 -1.290 19614 3241 1 9 . 1 1 39 39 LYS H H 39 8.489 8.489 7.825 0.664 19614 3242 1 9 . 1 1 40 40 PRO HA H 40 4.401 4.401 4.274 0.127 19614 3243 1 9 . 1 1 40 40 PRO C C 40 178.173 178.173 178.528 -0.355 19614 3244 1 9 . 1 1 40 40 PRO CA C 40 64.315 64.315 65.270 -0.955 19614 3245 1 9 . 1 1 40 40 PRO CB C 40 31.675 31.675 32.006 -0.331 19614 3246 1 9 . 1 1 41 41 ILE N N 41 120.414 120.414 117.946 2.468 19614 3247 1 9 . 1 1 41 41 ILE HA H 41 3.967 3.967 3.894 0.073 19614 3248 1 9 . 1 1 41 41 ILE C C 41 177.393 177.393 177.501 -0.108 19614 3249 1 9 . 1 1 41 41 ILE CA C 41 62.575 62.575 64.532 -1.957 19614 3250 1 9 . 1 1 41 41 ILE CB C 41 37.900 37.900 37.803 0.097 19614 3251 1 9 . 1 1 41 41 ILE H H 41 8.011 8.011 7.806 0.205 19614 3252 1 9 . 1 1 42 42 MET N N 42 122.411 122.411 117.951 4.460 19614 3253 1 9 . 1 1 42 42 MET HA H 42 4.330 4.330 4.167 0.163 19614 3254 1 9 . 1 1 42 42 MET C C 42 178.050 178.050 178.684 -0.634 19614 3255 1 9 . 1 1 42 42 MET CA C 42 56.959 56.959 58.064 -1.105 19614 3256 1 9 . 1 1 42 42 MET CB C 42 32.024 32.024 31.138 0.886 19614 3257 1 9 . 1 1 42 42 MET H H 42 8.335 8.335 8.057 0.278 19614 3258 1 9 . 1 1 43 43 GLU N N 43 121.832 121.832 118.032 3.800 19614 3259 1 9 . 1 1 43 43 GLU HA H 43 4.193 4.193 4.053 0.140 19614 3260 1 9 . 1 1 43 43 GLU C C 43 177.835 177.835 178.861 -1.026 19614 3261 1 9 . 1 1 43 43 GLU CA C 43 58.157 58.157 59.020 -0.863 19614 3262 1 9 . 1 1 43 43 GLU CB C 43 29.543 29.543 28.783 0.760 19614 3263 1 9 . 1 1 43 43 GLU H H 43 8.397 8.397 8.411 -0.014 19614 3264 1 9 . 1 1 44 44 LYS N N 44 121.347 121.347 121.181 0.166 19614 3265 1 9 . 1 1 44 44 LYS HA H 44 4.083 4.083 4.084 -0.001 19614 3266 1 9 . 1 1 44 44 LYS C C 44 178.745 178.745 179.044 -0.299 19614 3267 1 9 . 1 1 44 44 LYS CA C 44 58.846 58.846 59.077 -0.231 19614 3268 1 9 . 1 1 44 44 LYS CB C 44 32.493 32.493 32.417 0.076 19614 3269 1 9 . 1 1 44 44 LYS H H 44 8.124 8.124 7.680 0.444 19614 3270 1 9 . 1 1 45 45 ARG N N 45 120.603 120.603 119.066 1.537 19614 3271 1 9 . 1 1 45 45 ARG HA H 45 4.247 4.247 4.022 0.225 19614 3272 1 9 . 1 1 45 45 ARG C C 45 178.025 178.025 178.577 -0.552 19614 3273 1 9 . 1 1 45 45 ARG CA C 45 58.201 58.201 59.601 -1.400 19614 3274 1 9 . 1 1 45 45 ARG CB C 45 29.888 29.888 30.155 -0.267 19614 3275 1 9 . 1 1 45 45 ARG H H 45 8.219 8.219 8.300 -0.081 19614 3276 1 9 . 1 1 46 46 ARG N N 46 121.714 121.714 119.902 1.812 19614 3277 1 9 . 1 1 46 46 ARG HA H 46 3.908 3.908 3.981 -0.073 19614 3278 1 9 . 1 1 46 46 ARG C C 46 177.855 177.855 178.071 -0.216 19614 3279 1 9 . 1 1 46 46 ARG CA C 46 59.726 59.726 59.522 0.205 19614 3280 1 9 . 1 1 46 46 ARG CB C 46 30.215 30.215 30.139 0.076 19614 3281 1 9 . 1 1 46 46 ARG H H 46 8.245 8.245 8.311 -0.066 19614 3282 1 9 . 1 1 47 47 ARG N N 47 118.469 118.469 119.623 -1.154 19614 3283 1 9 . 1 1 47 47 ARG HA H 47 3.961 3.961 3.959 0.002 19614 3284 1 9 . 1 1 47 47 ARG C C 47 177.899 177.899 178.192 -0.293 19614 3285 1 9 . 1 1 47 47 ARG CA C 47 58.541 58.541 59.448 -0.907 19614 3286 1 9 . 1 1 47 47 ARG CB C 47 29.704 29.704 29.992 -0.288 19614 3287 1 9 . 1 1 47 47 ARG H H 47 8.233 8.233 8.320 -0.087 19614 3288 1 9 . 1 1 48 48 ALA N N 48 121.720 121.720 121.212 0.508 19614 3289 1 9 . 1 1 48 48 ALA HA H 48 4.205 4.205 3.979 0.226 19614 3290 1 9 . 1 1 48 48 ALA C C 48 180.284 180.284 179.684 0.600 19614 3291 1 9 . 1 1 48 48 ALA CA C 48 54.815 54.815 55.194 -0.380 19614 3292 1 9 . 1 1 48 48 ALA CB C 48 18.025 18.025 18.356 -0.331 19614 3293 1 9 . 1 1 48 48 ALA H H 48 7.962 7.962 7.927 0.035 19614 3294 1 9 . 1 1 49 49 ARG N N 49 119.603 119.603 118.842 0.761 19614 3295 1 9 . 1 1 49 49 ARG C C 49 179.589 179.589 179.156 0.433 19614 3296 1 9 . 1 1 49 49 ARG CA C 49 59.291 59.291 59.317 -0.026 19614 3297 1 9 . 1 1 49 49 ARG CB C 49 30.993 30.993 30.186 0.807 19614 3298 1 9 . 1 1 49 49 ARG H H 49 8.103 8.103 7.763 0.340 19614 3299 1 9 . 1 1 50 50 ILE N N 50 121.545 121.545 121.789 -0.244 19614 3300 1 9 . 1 1 50 50 ILE HA H 50 3.662 3.662 3.630 0.032 19614 3301 1 9 . 1 1 50 50 ILE C C 50 177.372 177.372 178.026 -0.654 19614 3302 1 9 . 1 1 50 50 ILE CA C 50 65.302 65.302 65.654 -0.352 19614 3303 1 9 . 1 1 50 50 ILE CB C 50 38.216 38.216 37.553 0.663 19614 3304 1 9 . 1 1 50 50 ILE H H 50 8.145 8.145 8.598 -0.453 19614 3305 1 9 . 1 1 51 51 ASN N N 51 117.894 117.894 117.879 0.015 19614 3306 1 9 . 1 1 51 51 ASN HA H 51 4.407 4.407 4.425 -0.018 19614 3307 1 9 . 1 1 51 51 ASN C C 51 178.725 178.725 178.416 0.309 19614 3308 1 9 . 1 1 51 51 ASN CA C 51 56.205 56.205 56.524 -0.319 19614 3309 1 9 . 1 1 51 51 ASN CB C 51 37.594 37.594 38.221 -0.627 19614 3310 1 9 . 1 1 51 51 ASN H H 51 8.431 8.431 8.266 0.165 19614 3311 1 9 . 1 1 52 52 GLU N N 52 121.612 121.612 120.262 1.350 19614 3312 1 9 . 1 1 52 52 GLU HA H 52 4.205 4.205 4.160 0.045 19614 3313 1 9 . 1 1 52 52 GLU C C 52 179.243 179.243 179.151 0.092 19614 3314 1 9 . 1 1 52 52 GLU CA C 52 59.291 59.291 58.900 0.391 19614 3315 1 9 . 1 1 52 52 GLU CB C 52 29.101 29.101 29.261 -0.160 19614 3316 1 9 . 1 1 52 52 GLU H H 52 8.299 8.299 8.407 -0.108 19614 3317 1 9 . 1 1 53 53 SER N N 53 116.604 116.604 115.520 1.084 19614 3318 1 9 . 1 1 53 53 SER C C 53 176.283 176.283 176.815 -0.532 19614 3319 1 9 . 1 1 53 53 SER CA C 53 63.032 63.032 61.749 1.283 19614 3320 1 9 . 1 1 53 53 SER H H 53 8.254 8.254 8.540 -0.286 19614 3321 1 9 . 1 1 54 54 LEU N N 54 121.925 121.925 123.129 -1.204 19614 3322 1 9 . 1 1 54 54 LEU HA H 54 3.962 3.962 4.199 -0.237 19614 3323 1 9 . 1 1 54 54 LEU C C 54 178.897 178.897 178.395 0.502 19614 3324 1 9 . 1 1 54 54 LEU CA C 54 58.116 58.116 57.639 0.477 19614 3325 1 9 . 1 1 54 54 LEU CB C 54 41.576 41.576 42.051 -0.475 19614 3326 1 9 . 1 1 54 54 LEU H H 54 8.693 8.693 8.243 0.450 19614 3327 1 9 . 1 1 55 55 SER N N 55 114.515 114.515 115.707 -1.192 19614 3328 1 9 . 1 1 55 55 SER HA H 55 4.181 4.181 4.158 0.023 19614 3329 1 9 . 1 1 55 55 SER C C 55 177.381 177.381 176.699 0.682 19614 3330 1 9 . 1 1 55 55 SER CA C 55 61.568 61.568 62.007 -0.439 19614 3331 1 9 . 1 1 55 55 SER CB C 55 62.527 62.527 62.968 -0.440 19614 3332 1 9 . 1 1 55 55 SER H H 55 7.823 7.823 8.442 -0.619 19614 3333 1 9 . 1 1 56 56 GLN N N 56 120.605 120.605 121.922 -1.317 19614 3334 1 9 . 1 1 56 56 GLN HA H 56 4.087 4.087 4.154 -0.067 19614 3335 1 9 . 1 1 56 56 GLN C C 56 178.904 178.904 178.119 0.785 19614 3336 1 9 . 1 1 56 56 GLN CA C 56 58.679 58.679 58.169 0.510 19614 3337 1 9 . 1 1 56 56 GLN CB C 56 28.669 28.669 28.115 0.554 19614 3338 1 9 . 1 1 56 56 GLN H H 56 7.886 7.886 7.813 0.073 19614 3339 1 9 . 1 1 57 57 LEU N N 57 120.488 120.488 122.756 -2.268 19614 3340 1 9 . 1 1 57 57 LEU HA H 57 3.953 3.953 3.903 0.050 19614 3341 1 9 . 1 1 57 57 LEU C C 57 177.406 177.406 178.382 -0.976 19614 3342 1 9 . 1 1 57 57 LEU CA C 57 57.957 57.957 58.289 -0.332 19614 3343 1 9 . 1 1 57 57 LEU CB C 57 41.486 41.486 42.035 -0.549 19614 3344 1 9 . 1 1 57 57 LEU H H 57 8.845 8.845 7.948 0.897 19614 3345 1 9 . 1 1 58 58 LYS N N 58 118.053 118.053 116.827 1.226 19614 3346 1 9 . 1 1 58 58 LYS C C 58 176.891 176.891 179.008 -2.117 19614 3347 1 9 . 1 1 58 58 LYS CA C 58 60.535 60.535 59.190 1.345 19614 3348 1 9 . 1 1 58 58 LYS CB C 58 31.903 31.903 31.779 0.124 19614 3349 1 9 . 1 1 58 58 LYS H H 58 8.145 8.145 8.224 -0.079 19614 3350 1 9 . 1 1 59 59 THR N N 59 112.948 112.948 117.905 -4.957 19614 3351 1 9 . 1 1 59 59 THR HA H 59 3.812 3.812 4.062 -0.250 19614 3352 1 9 . 1 1 59 59 THR C C 59 176.273 176.273 176.572 -0.299 19614 3353 1 9 . 1 1 59 59 THR CA C 59 66.367 66.367 66.582 -0.214 19614 3354 1 9 . 1 1 59 59 THR CB C 59 68.902 68.902 68.721 0.181 19614 3355 1 9 . 1 1 59 59 THR H H 59 7.393 7.393 7.651 -0.258 19614 3356 1 9 . 1 1 60 60 LEU N N 60 120.435 120.435 121.313 -0.878 19614 3357 1 9 . 1 1 60 60 LEU HA H 60 4.066 4.066 4.112 -0.046 19614 3358 1 9 . 1 1 60 60 LEU C C 60 179.994 179.994 179.298 0.696 19614 3359 1 9 . 1 1 60 60 LEU CA C 60 58.096 58.096 57.422 0.674 19614 3360 1 9 . 1 1 60 60 LEU CB C 60 43.107 43.107 40.841 2.266 19614 3361 1 9 . 1 1 60 60 LEU H H 60 8.005 8.005 8.472 -0.467 19614 3362 1 9 . 1 1 61 61 ILE N N 61 120.041 120.041 120.476 -0.435 19614 3363 1 9 . 1 1 61 61 ILE HA H 61 3.934 3.934 3.563 0.371 19614 3364 1 9 . 1 1 61 61 ILE C C 61 176.957 176.957 178.106 -1.149 19614 3365 1 9 . 1 1 61 61 ILE CA C 61 60.979 60.979 63.504 -2.525 19614 3366 1 9 . 1 1 61 61 ILE CB C 61 37.229 37.229 37.050 0.179 19614 3367 1 9 . 1 1 61 61 ILE H H 61 8.847 8.847 8.020 0.827 19614 3368 1 9 . 1 1 62 62 LEU N N 62 121.236 121.236 120.640 0.596 19614 3369 1 9 . 1 1 62 62 LEU HA H 62 3.909 3.909 3.921 -0.012 19614 3370 1 9 . 1 1 62 62 LEU C C 62 179.562 179.562 178.317 1.245 19614 3371 1 9 . 1 1 62 62 LEU CA C 62 58.035 58.035 57.840 0.195 19614 3372 1 9 . 1 1 62 62 LEU CB C 62 40.219 40.219 40.918 -0.699 19614 3373 1 9 . 1 1 62 62 LEU H H 62 7.944 7.944 8.419 -0.475 19614 3374 1 9 . 1 1 63 63 ASP N N 63 117.983 117.983 118.676 -0.693 19614 3375 1 9 . 1 1 63 63 ASP HA H 63 4.458 4.458 4.439 0.019 19614 3376 1 9 . 1 1 63 63 ASP C C 63 178.858 178.858 177.496 1.362 19614 3377 1 9 . 1 1 63 63 ASP CA C 63 56.964 56.964 56.416 0.548 19614 3378 1 9 . 1 1 63 63 ASP CB C 63 40.822 40.822 40.910 -0.089 19614 3379 1 9 . 1 1 63 63 ASP H H 63 7.844 7.844 8.005 -0.161 19614 3380 1 9 . 1 1 64 64 ALA N N 64 122.425 122.425 120.639 1.786 19614 3381 1 9 . 1 1 64 64 ALA HA H 64 4.086 4.086 4.194 -0.108 19614 3382 1 9 . 1 1 64 64 ALA C C 64 179.354 179.354 178.504 0.850 19614 3383 1 9 . 1 1 64 64 ALA CA C 64 54.396 54.396 54.211 0.185 19614 3384 1 9 . 1 1 64 64 ALA CB C 64 17.785 17.785 19.488 -1.703 19614 3385 1 9 . 1 1 64 64 ALA H H 64 7.869 7.869 7.562 0.307 19614 3386 1 9 . 1 1 65 65 LEU N N 65 116.489 116.489 117.392 -0.903 19614 3387 1 9 . 1 1 65 65 LEU HA H 65 4.222 4.222 4.429 -0.207 19614 3388 1 9 . 1 1 65 65 LEU C C 65 176.661 176.661 176.536 0.125 19614 3389 1 9 . 1 1 65 65 LEU CA C 65 54.642 54.642 55.201 -0.559 19614 3390 1 9 . 1 1 65 65 LEU CB C 65 41.957 41.957 43.416 -1.460 19614 3391 1 9 . 1 1 65 65 LEU H H 65 7.669 7.669 7.338 0.331 19614 3392 1 9 . 1 1 66 66 LYS N N 66 118.229 118.229 117.850 0.379 19614 3393 1 9 . 1 1 66 66 LYS HA H 66 4.058 4.058 4.113 -0.055 19614 3394 1 9 . 1 1 66 66 LYS C C 66 176.651 176.651 175.976 0.675 19614 3395 1 9 . 1 1 66 66 LYS CA C 66 57.100 57.100 56.988 0.112 19614 3396 1 9 . 1 1 66 66 LYS CB C 66 30.249 30.249 29.201 1.048 19614 3397 1 9 . 1 1 66 66 LYS H H 66 7.806 7.806 8.026 -0.220 19614 3398 1 9 . 1 1 67 67 LYS N N 67 119.380 119.380 120.161 -0.781 19614 3399 1 9 . 1 1 67 67 LYS HA H 67 4.278 4.278 4.131 0.147 19614 3400 1 9 . 1 1 67 67 LYS C C 67 176.163 176.163 176.409 -0.246 19614 3401 1 9 . 1 1 67 67 LYS CA C 67 55.658 55.658 58.195 -2.537 19614 3402 1 9 . 1 1 67 67 LYS CB C 67 33.462 33.462 33.044 0.418 19614 3403 1 9 . 1 1 67 67 LYS H H 67 8.249 8.249 8.056 0.193 19614 3404 1 9 . 1 1 68 68 ASP N N 68 120.812 120.812 115.021 5.791 19614 3405 1 9 . 1 1 68 68 ASP HA H 68 4.601 4.601 4.652 -0.051 19614 3406 1 9 . 1 1 68 68 ASP C C 68 177.001 177.001 175.475 1.526 19614 3407 1 9 . 1 1 68 68 ASP CA C 68 54.192 54.192 54.002 0.190 19614 3408 1 9 . 1 1 68 68 ASP CB C 68 41.383 41.383 42.680 -1.297 19614 3409 1 9 . 1 1 68 68 ASP H H 68 8.350 8.350 7.521 0.829 19614 3410 1 9 . 1 1 69 69 SER N N 69 119.061 119.061 119.649 -0.588 19614 3411 1 9 . 1 1 69 69 SER HA H 69 4.199 4.199 4.484 -0.285 19614 3412 1 9 . 1 1 69 69 SER C C 69 175.643 175.643 176.066 -0.423 19614 3413 1 9 . 1 1 69 69 SER CA C 69 59.636 59.636 60.127 -0.490 19614 3414 1 9 . 1 1 69 69 SER CB C 69 63.237 63.237 63.688 -0.451 19614 3415 1 9 . 1 1 69 69 SER H H 69 8.608 8.608 8.516 0.092 19614 3416 1 9 . 1 1 70 70 SER N N 70 118.325 118.325 119.569 -1.244 19614 3417 1 9 . 1 1 70 70 SER HA H 70 4.335 4.335 4.333 0.002 19614 3418 1 9 . 1 1 70 70 SER C C 70 175.275 175.275 176.441 -1.166 19614 3419 1 9 . 1 1 70 70 SER CA C 70 59.700 59.700 61.654 -1.954 19614 3420 1 9 . 1 1 70 70 SER CB C 70 63.243 63.243 63.088 0.155 19614 3421 1 9 . 1 1 70 70 SER H H 70 8.514 8.514 8.454 0.060 19614 3422 1 9 . 1 1 71 71 ARG N N 71 121.317 121.317 120.602 0.715 19614 3423 1 9 . 1 1 71 71 ARG HA H 71 4.231 4.231 4.208 0.023 19614 3424 1 9 . 1 1 71 71 ARG C C 71 176.223 176.223 178.433 -2.210 19614 3425 1 9 . 1 1 71 71 ARG CA C 71 56.368 56.368 58.026 -1.658 19614 3426 1 9 . 1 1 71 71 ARG CB C 71 30.148 30.148 29.237 0.911 19614 3427 1 9 . 1 1 71 71 ARG H H 71 7.965 7.965 9.062 -1.097 19614 3428 1 9 . 1 1 72 72 HIS N N 72 118.894 118.894 119.805 -0.911 19614 3429 1 9 . 1 1 72 72 HIS HA H 72 4.663 4.663 4.370 0.293 19614 3430 1 9 . 1 1 72 72 HIS C C 72 175.122 175.122 176.163 -1.041 19614 3431 1 9 . 1 1 72 72 HIS CA C 72 55.935 55.935 59.483 -3.549 19614 3432 1 9 . 1 1 72 72 HIS CB C 72 29.974 29.974 29.762 0.212 19614 3433 1 9 . 1 1 72 72 HIS H H 72 8.036 8.036 7.862 0.174 19614 3434 1 9 . 1 1 73 73 SER N N 73 116.302 116.302 114.512 1.790 19614 3435 1 9 . 1 1 73 73 SER HA H 73 4.313 4.313 4.355 -0.042 19614 3436 1 9 . 1 1 73 73 SER C C 73 174.559 174.559 174.470 0.089 19614 3437 1 9 . 1 1 73 73 SER CA C 73 59.297 59.297 59.736 -0.439 19614 3438 1 9 . 1 1 73 73 SER CB C 73 63.522 63.522 63.133 0.389 19614 3439 1 9 . 1 1 73 73 SER H H 73 8.029 8.029 7.844 0.185 19614 3440 1 9 . 1 1 74 74 LYS N N 74 122.545 122.545 120.843 1.702 19614 3441 1 9 . 1 1 74 74 LYS HA H 74 4.336 4.336 4.421 -0.085 19614 3442 1 9 . 1 1 74 74 LYS C C 74 175.929 175.929 174.877 1.052 19614 3443 1 9 . 1 1 74 74 LYS CA C 74 55.918 55.918 54.790 1.128 19614 3444 1 9 . 1 1 74 74 LYS CB C 74 32.143 32.143 32.887 -0.744 19614 3445 1 9 . 1 1 74 74 LYS H H 74 8.394 8.394 7.389 1.005 19614 3446 1 9 . 1 1 75 75 LEU N N 75 123.393 123.393 122.767 0.626 19614 3447 1 9 . 1 1 75 75 LEU HA H 75 4.402 4.402 4.328 0.074 19614 3448 1 9 . 1 1 75 75 LEU C C 75 176.575 176.575 176.614 -0.039 19614 3449 1 9 . 1 1 75 75 LEU CA C 75 54.697 54.697 54.182 0.515 19614 3450 1 9 . 1 1 75 75 LEU CB C 75 43.481 43.481 41.494 1.987 19614 3451 1 9 . 1 1 75 75 LEU H H 75 7.943 7.943 7.208 0.735 19614 3452 1 9 . 1 1 76 76 GLU N N 76 123.357 123.357 123.669 -0.312 19614 3453 1 9 . 1 1 76 76 GLU HA H 76 4.551 4.551 4.517 0.034 19614 3454 1 9 . 1 1 76 76 GLU C C 76 177.445 177.445 176.717 0.728 19614 3455 1 9 . 1 1 76 76 GLU CA C 76 54.962 54.962 55.136 -0.174 19614 3456 1 9 . 1 1 76 76 GLU CB C 76 31.245 31.245 31.170 0.075 19614 3457 1 9 . 1 1 76 76 GLU H H 76 9.136 9.136 8.421 0.715 19614 3458 1 9 . 1 1 77 77 LYS N N 77 122.655 122.655 125.186 -2.531 19614 3459 1 9 . 1 1 77 77 LYS HA H 77 3.830 3.830 3.883 -0.053 19614 3460 1 9 . 1 1 77 77 LYS C C 77 177.908 177.908 177.720 0.188 19614 3461 1 9 . 1 1 77 77 LYS CA C 77 61.105 61.105 60.293 0.812 19614 3462 1 9 . 1 1 77 77 LYS CB C 77 32.423 32.423 32.123 0.300 19614 3463 1 9 . 1 1 77 77 LYS H H 77 8.858 8.858 8.980 -0.122 19614 3464 1 9 . 1 1 78 78 ALA N N 78 118.008 118.008 118.872 -0.864 19614 3465 1 9 . 1 1 78 78 ALA HA H 78 3.892 3.892 4.090 -0.198 19614 3466 1 9 . 1 1 78 78 ALA C C 78 179.758 179.758 179.440 0.318 19614 3467 1 9 . 1 1 78 78 ALA CA C 78 55.456 55.456 54.794 0.662 19614 3468 1 9 . 1 1 78 78 ALA CB C 78 17.839 17.839 17.986 -0.147 19614 3469 1 9 . 1 1 78 78 ALA H H 78 9.131 9.131 8.281 0.850 19614 3470 1 9 . 1 1 79 79 ASP N N 79 114.744 114.744 119.451 -4.707 19614 3471 1 9 . 1 1 79 79 ASP HA H 79 4.346 4.346 4.517 -0.171 19614 3472 1 9 . 1 1 79 79 ASP C C 79 178.104 178.104 178.463 -0.359 19614 3473 1 9 . 1 1 79 79 ASP CA C 79 57.088 57.088 56.912 0.176 19614 3474 1 9 . 1 1 79 79 ASP CB C 79 41.728 41.728 41.060 0.668 19614 3475 1 9 . 1 1 79 79 ASP H H 79 7.052 7.052 7.776 -0.724 19614 3476 1 9 . 1 1 80 80 ILE N N 80 119.398 119.398 120.874 -1.476 19614 3477 1 9 . 1 1 80 80 ILE HA H 80 3.592 3.592 3.703 -0.111 19614 3478 1 9 . 1 1 80 80 ILE C C 80 179.567 179.567 178.400 1.167 19614 3479 1 9 . 1 1 80 80 ILE CA C 80 64.201 64.201 65.448 -1.247 19614 3480 1 9 . 1 1 80 80 ILE CB C 80 37.514 37.514 37.953 -0.439 19614 3481 1 9 . 1 1 80 80 ILE H H 80 7.983 7.983 8.145 -0.162 19614 3482 1 9 . 1 1 81 81 LEU N N 81 120.930 120.930 120.479 0.451 19614 3483 1 9 . 1 1 81 81 LEU HA H 81 3.931 3.931 3.869 0.062 19614 3484 1 9 . 1 1 81 81 LEU C C 81 178.312 178.312 178.836 -0.524 19614 3485 1 9 . 1 1 81 81 LEU CA C 81 58.588 58.588 58.640 -0.052 19614 3486 1 9 . 1 1 81 81 LEU CB C 81 41.727 41.727 40.968 0.759 19614 3487 1 9 . 1 1 81 81 LEU H H 81 8.171 8.171 8.259 -0.088 19614 3488 1 9 . 1 1 82 82 GLU N N 82 119.314 119.314 118.928 0.386 19614 3489 1 9 . 1 1 82 82 GLU HA H 82 3.917 3.917 3.951 -0.034 19614 3490 1 9 . 1 1 82 82 GLU C C 82 180.151 180.151 178.946 1.205 19614 3491 1 9 . 1 1 82 82 GLU CA C 82 59.864 59.864 59.319 0.545 19614 3492 1 9 . 1 1 82 82 GLU CB C 82 29.364 29.364 29.542 -0.178 19614 3493 1 9 . 1 1 82 82 GLU H H 82 7.984 7.984 7.797 0.187 19614 3494 1 9 . 1 1 83 83 MET N N 83 118.669 118.669 119.461 -0.792 19614 3495 1 9 . 1 1 83 83 MET HA H 83 4.033 4.033 4.186 -0.153 19614 3496 1 9 . 1 1 83 83 MET C C 83 178.488 178.488 178.503 -0.015 19614 3497 1 9 . 1 1 83 83 MET CA C 83 59.083 59.083 59.221 -0.138 19614 3498 1 9 . 1 1 83 83 MET CB C 83 33.883 33.883 32.720 1.163 19614 3499 1 9 . 1 1 83 83 MET H H 83 8.639 8.639 7.697 0.942 19614 3500 1 9 . 1 1 84 84 THR N N 84 118.733 118.733 116.737 1.996 19614 3501 1 9 . 1 1 84 84 THR HA H 84 3.853 3.853 4.045 -0.192 19614 3502 1 9 . 1 1 84 84 THR C C 84 175.659 175.659 176.578 -0.919 19614 3503 1 9 . 1 1 84 84 THR CA C 84 68.029 68.029 66.756 1.273 19614 3504 1 9 . 1 1 84 84 THR CB C 84 67.595 67.595 68.878 -1.283 19614 3505 1 9 . 1 1 84 84 THR H H 84 7.946 7.946 7.961 -0.015 19614 3506 1 9 . 1 1 85 85 VAL N N 85 122.083 122.083 121.663 0.420 19614 3507 1 9 . 1 1 85 85 VAL HA H 85 3.311 3.311 3.684 -0.373 19614 3508 1 9 . 1 1 85 85 VAL C C 85 177.078 177.078 177.756 -0.678 19614 3509 1 9 . 1 1 85 85 VAL CA C 85 67.381 67.381 66.372 1.009 19614 3510 1 9 . 1 1 85 85 VAL CB C 85 32.168 32.168 30.972 1.196 19614 3511 1 9 . 1 1 85 85 VAL H H 85 8.089 8.089 7.966 0.123 19614 3512 1 9 . 1 1 86 86 LYS N N 86 117.409 117.409 119.113 -1.704 19614 3513 1 9 . 1 1 86 86 LYS HA H 86 3.835 3.835 3.994 -0.159 19614 3514 1 9 . 1 1 86 86 LYS C C 86 178.617 178.617 179.088 -0.471 19614 3515 1 9 . 1 1 86 86 LYS CA C 86 60.014 60.014 59.752 0.262 19614 3516 1 9 . 1 1 86 86 LYS CB C 86 32.336 32.336 32.210 0.126 19614 3517 1 9 . 1 1 86 86 LYS H H 86 7.785 7.785 8.531 -0.746 19614 3518 1 9 . 1 1 87 87 HIS N N 87 118.731 118.731 119.877 -1.146 19614 3519 1 9 . 1 1 87 87 HIS HA H 87 4.513 4.513 4.392 0.121 19614 3520 1 9 . 1 1 87 87 HIS C C 87 177.356 177.356 177.191 0.165 19614 3521 1 9 . 1 1 87 87 HIS CA C 87 59.368 59.368 59.213 0.155 19614 3522 1 9 . 1 1 87 87 HIS CB C 87 32.047 32.047 29.989 2.058 19614 3523 1 9 . 1 1 87 87 HIS H H 87 8.055 8.055 8.130 -0.075 19614 3524 1 9 . 1 1 88 88 LEU N N 88 117.189 117.189 120.163 -2.974 19614 3525 1 9 . 1 1 88 88 LEU C C 88 180.158 180.158 178.717 1.441 19614 3526 1 9 . 1 1 88 88 LEU CA C 88 57.927 57.927 57.553 0.374 19614 3527 1 9 . 1 1 88 88 LEU CB C 88 41.748 41.748 41.127 0.621 19614 3528 1 9 . 1 1 88 88 LEU H H 88 8.450 8.450 7.914 0.536 19614 3529 1 9 . 1 1 89 89 ARG N N 89 119.542 119.542 119.253 0.289 19614 3530 1 9 . 1 1 89 89 ARG HA H 89 3.901 3.901 3.977 -0.076 19614 3531 1 9 . 1 1 89 89 ARG C C 89 178.875 178.875 178.787 0.088 19614 3532 1 9 . 1 1 89 89 ARG CA C 89 59.667 59.667 58.321 1.346 19614 3533 1 9 . 1 1 89 89 ARG CB C 89 29.542 29.542 29.037 0.505 19614 3534 1 9 . 1 1 89 89 ARG H H 89 8.616 8.616 7.836 0.780 19614 3535 1 9 . 1 1 90 90 ASN N N 90 118.676 118.676 119.207 -0.531 19614 3536 1 9 . 1 1 90 90 ASN HA H 90 4.478 4.478 4.433 0.045 19614 3537 1 9 . 1 1 90 90 ASN C C 90 177.824 177.824 177.625 0.199 19614 3538 1 9 . 1 1 90 90 ASN CA C 90 55.393 55.393 55.934 -0.541 19614 3539 1 9 . 1 1 90 90 ASN CB C 90 37.874 37.874 37.946 -0.072 19614 3540 1 9 . 1 1 90 90 ASN H H 90 7.935 7.935 7.599 0.336 19614 3541 1 9 . 1 1 91 91 LEU N N 91 119.885 119.885 119.904 -0.019 19614 3542 1 9 . 1 1 91 91 LEU HA H 91 4.045 4.045 3.993 0.052 19614 3543 1 9 . 1 1 91 91 LEU C C 91 178.707 178.707 179.110 -0.403 19614 3544 1 9 . 1 1 91 91 LEU CA C 91 56.705 56.705 57.507 -0.802 19614 3545 1 9 . 1 1 91 91 LEU CB C 91 41.918 41.918 41.511 0.407 19614 3546 1 9 . 1 1 91 91 LEU H H 91 7.890 7.890 8.031 -0.141 19614 3547 1 9 . 1 1 92 92 GLN N N 92 118.288 118.288 116.350 1.938 19614 3548 1 9 . 1 1 92 92 GLN HA H 92 4.149 4.149 4.179 -0.030 19614 3549 1 9 . 1 1 92 92 GLN C C 92 176.562 176.562 177.072 -0.510 19614 3550 1 9 . 1 1 92 92 GLN CA C 92 57.055 57.055 57.649 -0.594 19614 3551 1 9 . 1 1 92 92 GLN CB C 92 28.937 28.937 28.702 0.235 19614 3552 1 9 . 1 1 92 92 GLN H H 92 7.683 7.683 8.023 -0.340 19614 3553 1 9 . 1 1 93 93 ARG N N 93 119.664 119.664 116.327 3.337 19614 3554 1 9 . 1 1 93 93 ARG HA H 93 4.238 4.238 4.491 -0.253 19614 3555 1 9 . 1 1 93 93 ARG C C 93 175.928 175.928 175.790 0.138 19614 3556 1 9 . 1 1 93 93 ARG CA C 93 56.467 56.467 55.344 1.123 19614 3557 1 9 . 1 1 93 93 ARG CB C 93 30.459 30.459 30.305 0.154 19614 3558 1 9 . 1 1 93 93 ARG H H 93 7.786 7.786 7.624 0.162 19614 3559 1 9 . 1 1 94 94 ALA N N 94 124.562 124.562 122.423 2.139 19614 3560 1 9 . 1 1 94 94 ALA HA H 94 4.308 4.308 3.920 0.388 19614 3561 1 9 . 1 1 94 94 ALA C C 94 176.753 176.753 177.191 -0.438 19614 3562 1 9 . 1 1 94 94 ALA CA C 94 52.465 52.465 52.774 -0.309 19614 3563 1 9 . 1 1 94 94 ALA CB C 94 19.023 19.023 17.029 1.994 19614 3564 1 9 . 1 1 94 94 ALA H H 94 8.017 8.017 7.792 0.225 19614 3565 1 10 . 1 1 27 27 LYS HA H 27 4.626 4.626 4.646 -0.020 19614 3566 1 10 . 1 1 27 27 LYS CA C 27 54.410 54.410 54.740 -0.330 19614 3567 1 10 . 1 1 27 27 LYS CB C 27 32.346 32.346 33.197 -0.850 19614 3568 1 10 . 1 1 28 28 PRO HA H 28 4.402 4.402 4.302 0.100 19614 3569 1 10 . 1 1 28 28 PRO C C 28 176.815 176.815 177.051 -0.236 19614 3570 1 10 . 1 1 28 28 PRO CA C 28 62.876 62.876 63.808 -0.932 19614 3571 1 10 . 1 1 28 28 PRO CB C 28 32.162 32.162 32.283 -0.121 19614 3572 1 10 . 1 1 29 29 LYS N N 29 122.449 122.449 115.358 7.091 19614 3573 1 10 . 1 1 29 29 LYS HA H 29 4.297 4.297 4.050 0.247 19614 3574 1 10 . 1 1 29 29 LYS C C 29 176.961 176.961 176.374 0.587 19614 3575 1 10 . 1 1 29 29 LYS CA C 29 56.463 56.463 58.473 -2.010 19614 3576 1 10 . 1 1 29 29 LYS CB C 29 32.816 32.816 31.390 1.426 19614 3577 1 10 . 1 1 29 29 LYS H H 29 8.586 8.586 8.370 0.216 19614 3578 1 10 . 1 1 30 30 THR N N 30 115.695 115.695 114.351 1.344 19614 3579 1 10 . 1 1 30 30 THR HA H 30 4.293 4.293 4.484 -0.191 19614 3580 1 10 . 1 1 30 30 THR C C 30 174.354 174.354 172.887 1.467 19614 3581 1 10 . 1 1 30 30 THR CA C 30 61.555 61.555 62.088 -0.533 19614 3582 1 10 . 1 1 30 30 THR CB C 30 69.949 69.949 70.805 -0.855 19614 3583 1 10 . 1 1 30 30 THR H H 30 8.219 8.219 7.964 0.255 19614 3584 1 10 . 1 1 31 31 ALA N N 31 125.923 125.923 130.962 -5.039 19614 3585 1 10 . 1 1 31 31 ALA HA H 31 4.312 4.312 4.382 -0.070 19614 3586 1 10 . 1 1 31 31 ALA C C 31 178.014 178.014 176.537 1.477 19614 3587 1 10 . 1 1 31 31 ALA CA C 31 52.781 52.781 52.117 0.664 19614 3588 1 10 . 1 1 31 31 ALA CB C 31 19.125 19.125 17.568 1.557 19614 3589 1 10 . 1 1 31 31 ALA H H 31 8.505 8.505 8.656 -0.151 19614 3590 1 10 . 1 1 32 32 SER N N 32 115.249 115.249 116.362 -1.113 19614 3591 1 10 . 1 1 32 32 SER HA H 32 4.338 4.338 4.473 -0.135 19614 3592 1 10 . 1 1 32 32 SER C C 32 174.783 174.783 172.677 2.106 19614 3593 1 10 . 1 1 32 32 SER CA C 32 58.633 58.633 57.377 1.256 19614 3594 1 10 . 1 1 32 32 SER CB C 32 63.475 63.475 65.375 -1.900 19614 3595 1 10 . 1 1 32 32 SER H H 32 8.365 8.365 7.663 0.702 19614 3596 1 10 . 1 1 33 33 GLU N N 33 122.748 122.748 121.697 1.051 19614 3597 1 10 . 1 1 33 33 GLU HA H 33 4.205 4.205 4.272 -0.067 19614 3598 1 10 . 1 1 33 33 GLU C C 33 176.411 176.411 176.279 0.132 19614 3599 1 10 . 1 1 33 33 GLU CA C 33 56.678 56.678 56.211 0.467 19614 3600 1 10 . 1 1 33 33 GLU CB C 33 30.241 30.241 30.003 0.238 19614 3601 1 10 . 1 1 33 33 GLU H H 33 8.390 8.390 8.611 -0.221 19614 3602 1 10 . 1 1 34 34 HIS N N 34 120.453 120.453 125.927 -5.474 19614 3603 1 10 . 1 1 34 34 HIS HA H 34 4.605 4.605 4.511 0.094 19614 3604 1 10 . 1 1 34 34 HIS C C 34 175.167 175.167 175.193 -0.026 19614 3605 1 10 . 1 1 34 34 HIS CA C 34 56.035 56.035 56.905 -0.870 19614 3606 1 10 . 1 1 34 34 HIS CB C 34 29.938 29.938 28.849 1.089 19614 3607 1 10 . 1 1 34 34 HIS H H 34 8.431 8.431 8.824 -0.393 19614 3608 1 10 . 1 1 35 35 ARG N N 35 122.797 122.797 123.501 -0.704 19614 3609 1 10 . 1 1 35 35 ARG HA H 35 4.261 4.261 4.452 -0.191 19614 3610 1 10 . 1 1 35 35 ARG C C 35 176.411 176.411 175.726 0.685 19614 3611 1 10 . 1 1 35 35 ARG CA C 35 56.306 56.306 56.689 -0.383 19614 3612 1 10 . 1 1 35 35 ARG CB C 35 30.587 30.587 31.764 -1.177 19614 3613 1 10 . 1 1 35 35 ARG H H 35 8.419 8.419 8.484 -0.065 19614 3614 1 10 . 1 1 36 36 LYS N N 36 122.974 122.974 116.987 5.987 19614 3615 1 10 . 1 1 36 36 LYS HA H 36 4.288 4.288 4.487 -0.199 19614 3616 1 10 . 1 1 36 36 LYS C C 36 176.738 176.738 174.969 1.769 19614 3617 1 10 . 1 1 36 36 LYS CA C 36 56.514 56.514 56.404 0.110 19614 3618 1 10 . 1 1 36 36 LYS CB C 36 32.857 32.857 33.627 -0.770 19614 3619 1 10 . 1 1 36 36 LYS H H 36 8.482 8.482 7.907 0.575 19614 3620 1 10 . 1 1 37 37 SER N N 37 117.137 117.137 116.182 0.955 19614 3621 1 10 . 1 1 37 37 SER HA H 37 4.469 4.469 4.702 -0.233 19614 3622 1 10 . 1 1 37 37 SER C C 37 174.495 174.495 173.789 0.706 19614 3623 1 10 . 1 1 37 37 SER CA C 37 58.115 58.115 58.320 -0.205 19614 3624 1 10 . 1 1 37 37 SER CB C 37 63.627 63.627 63.313 0.314 19614 3625 1 10 . 1 1 37 37 SER H H 37 8.410 8.410 8.776 -0.366 19614 3626 1 10 . 1 1 38 38 SER N N 38 118.622 118.622 115.707 2.915 19614 3627 1 10 . 1 1 38 38 SER HA H 38 4.467 4.467 4.667 -0.200 19614 3628 1 10 . 1 1 38 38 SER C C 38 174.332 174.332 172.443 1.889 19614 3629 1 10 . 1 1 38 38 SER CA C 38 58.187 58.187 57.843 0.344 19614 3630 1 10 . 1 1 38 38 SER CB C 38 63.703 63.703 64.683 -0.980 19614 3631 1 10 . 1 1 38 38 SER H H 38 8.456 8.456 7.847 0.609 19614 3632 1 10 . 1 1 39 39 LYS N N 39 124.176 124.176 123.397 0.779 19614 3633 1 10 . 1 1 39 39 LYS HA H 39 4.478 4.478 4.664 -0.186 19614 3634 1 10 . 1 1 39 39 LYS C C 39 174.904 174.904 175.869 -0.965 19614 3635 1 10 . 1 1 39 39 LYS CA C 39 56.707 56.707 53.588 3.119 19614 3636 1 10 . 1 1 39 39 LYS CB C 39 31.595 31.595 32.548 -0.953 19614 3637 1 10 . 1 1 39 39 LYS H H 39 8.489 8.489 8.446 0.043 19614 3638 1 10 . 1 1 40 40 PRO HA H 40 4.401 4.401 4.272 0.129 19614 3639 1 10 . 1 1 40 40 PRO C C 40 178.173 178.173 178.806 -0.633 19614 3640 1 10 . 1 1 40 40 PRO CA C 40 64.315 64.315 65.443 -1.128 19614 3641 1 10 . 1 1 40 40 PRO CB C 40 31.675 31.675 31.942 -0.267 19614 3642 1 10 . 1 1 41 41 ILE N N 41 120.414 120.414 117.533 2.881 19614 3643 1 10 . 1 1 41 41 ILE HA H 41 3.967 3.967 3.927 0.040 19614 3644 1 10 . 1 1 41 41 ILE C C 41 177.393 177.393 177.478 -0.085 19614 3645 1 10 . 1 1 41 41 ILE CA C 41 62.575 62.575 64.477 -1.902 19614 3646 1 10 . 1 1 41 41 ILE CB C 41 37.900 37.900 37.783 0.117 19614 3647 1 10 . 1 1 41 41 ILE H H 41 8.011 8.011 7.849 0.162 19614 3648 1 10 . 1 1 42 42 MET N N 42 122.411 122.411 118.364 4.047 19614 3649 1 10 . 1 1 42 42 MET HA H 42 4.330 4.330 4.221 0.109 19614 3650 1 10 . 1 1 42 42 MET C C 42 178.050 178.050 178.673 -0.623 19614 3651 1 10 . 1 1 42 42 MET CA C 42 56.959 56.959 57.906 -0.946 19614 3652 1 10 . 1 1 42 42 MET CB C 42 32.024 32.024 31.138 0.886 19614 3653 1 10 . 1 1 42 42 MET H H 42 8.335 8.335 7.956 0.379 19614 3654 1 10 . 1 1 43 43 GLU N N 43 121.832 121.832 118.477 3.355 19614 3655 1 10 . 1 1 43 43 GLU HA H 43 4.193 4.193 4.061 0.132 19614 3656 1 10 . 1 1 43 43 GLU C C 43 177.835 177.835 178.863 -1.028 19614 3657 1 10 . 1 1 43 43 GLU CA C 43 58.157 58.157 59.131 -0.974 19614 3658 1 10 . 1 1 43 43 GLU CB C 43 29.543 29.543 28.845 0.698 19614 3659 1 10 . 1 1 43 43 GLU H H 43 8.397 8.397 8.800 -0.403 19614 3660 1 10 . 1 1 44 44 LYS N N 44 121.347 121.347 121.233 0.114 19614 3661 1 10 . 1 1 44 44 LYS HA H 44 4.083 4.083 4.080 0.003 19614 3662 1 10 . 1 1 44 44 LYS C C 44 178.745 178.745 178.945 -0.200 19614 3663 1 10 . 1 1 44 44 LYS CA C 44 58.846 58.846 59.166 -0.320 19614 3664 1 10 . 1 1 44 44 LYS CB C 44 32.493 32.493 32.416 0.077 19614 3665 1 10 . 1 1 44 44 LYS H H 44 8.124 8.124 7.679 0.445 19614 3666 1 10 . 1 1 45 45 ARG N N 45 120.603 120.603 119.096 1.507 19614 3667 1 10 . 1 1 45 45 ARG HA H 45 4.247 4.247 3.986 0.261 19614 3668 1 10 . 1 1 45 45 ARG C C 45 178.025 178.025 178.794 -0.769 19614 3669 1 10 . 1 1 45 45 ARG CA C 45 58.201 58.201 59.697 -1.496 19614 3670 1 10 . 1 1 45 45 ARG CB C 45 29.888 29.888 30.142 -0.254 19614 3671 1 10 . 1 1 45 45 ARG H H 45 8.219 8.219 8.265 -0.046 19614 3672 1 10 . 1 1 46 46 ARG N N 46 121.714 121.714 119.735 1.979 19614 3673 1 10 . 1 1 46 46 ARG HA H 46 3.908 3.908 4.019 -0.111 19614 3674 1 10 . 1 1 46 46 ARG C C 46 177.855 177.855 178.182 -0.327 19614 3675 1 10 . 1 1 46 46 ARG CA C 46 59.726 59.726 59.463 0.263 19614 3676 1 10 . 1 1 46 46 ARG CB C 46 30.215 30.215 30.187 0.028 19614 3677 1 10 . 1 1 46 46 ARG H H 46 8.245 8.245 8.448 -0.203 19614 3678 1 10 . 1 1 47 47 ARG N N 47 118.469 118.469 119.695 -1.226 19614 3679 1 10 . 1 1 47 47 ARG HA H 47 3.961 3.961 3.999 -0.038 19614 3680 1 10 . 1 1 47 47 ARG C C 47 177.899 177.899 178.325 -0.426 19614 3681 1 10 . 1 1 47 47 ARG CA C 47 58.541 58.541 59.374 -0.833 19614 3682 1 10 . 1 1 47 47 ARG CB C 47 29.704 29.704 30.059 -0.355 19614 3683 1 10 . 1 1 47 47 ARG H H 47 8.233 8.233 8.341 -0.108 19614 3684 1 10 . 1 1 48 48 ALA N N 48 121.720 121.720 121.354 0.366 19614 3685 1 10 . 1 1 48 48 ALA HA H 48 4.205 4.205 3.974 0.231 19614 3686 1 10 . 1 1 48 48 ALA C C 48 180.284 180.284 179.128 1.156 19614 3687 1 10 . 1 1 48 48 ALA CA C 48 54.815 54.815 55.411 -0.596 19614 3688 1 10 . 1 1 48 48 ALA CB C 48 18.025 18.025 18.253 -0.229 19614 3689 1 10 . 1 1 48 48 ALA H H 48 7.962 7.962 8.198 -0.236 19614 3690 1 10 . 1 1 49 49 ARG N N 49 119.603 119.603 119.243 0.360 19614 3691 1 10 . 1 1 49 49 ARG C C 49 179.589 179.589 178.726 0.863 19614 3692 1 10 . 1 1 49 49 ARG CA C 49 59.291 59.291 59.139 0.152 19614 3693 1 10 . 1 1 49 49 ARG CB C 49 30.993 30.993 30.197 0.796 19614 3694 1 10 . 1 1 49 49 ARG H H 49 8.103 8.103 7.659 0.444 19614 3695 1 10 . 1 1 50 50 ILE N N 50 121.545 121.545 120.689 0.856 19614 3696 1 10 . 1 1 50 50 ILE HA H 50 3.662 3.662 3.516 0.146 19614 3697 1 10 . 1 1 50 50 ILE C C 50 177.372 177.372 177.825 -0.453 19614 3698 1 10 . 1 1 50 50 ILE CA C 50 65.302 65.302 65.624 -0.322 19614 3699 1 10 . 1 1 50 50 ILE CB C 50 38.216 38.216 37.505 0.711 19614 3700 1 10 . 1 1 50 50 ILE H H 50 8.145 8.145 8.552 -0.407 19614 3701 1 10 . 1 1 51 51 ASN N N 51 117.894 117.894 118.328 -0.434 19614 3702 1 10 . 1 1 51 51 ASN HA H 51 4.407 4.407 4.374 0.033 19614 3703 1 10 . 1 1 51 51 ASN C C 51 178.725 178.725 178.271 0.454 19614 3704 1 10 . 1 1 51 51 ASN CA C 51 56.205 56.205 56.713 -0.508 19614 3705 1 10 . 1 1 51 51 ASN CB C 51 37.594 37.594 38.249 -0.655 19614 3706 1 10 . 1 1 51 51 ASN H H 51 8.431 8.431 8.315 0.116 19614 3707 1 10 . 1 1 52 52 GLU N N 52 121.612 121.612 120.181 1.431 19614 3708 1 10 . 1 1 52 52 GLU HA H 52 4.205 4.205 4.086 0.119 19614 3709 1 10 . 1 1 52 52 GLU C C 52 179.243 179.243 179.234 0.009 19614 3710 1 10 . 1 1 52 52 GLU CA C 52 59.291 59.291 59.192 0.099 19614 3711 1 10 . 1 1 52 52 GLU CB C 52 29.101 29.101 29.050 0.051 19614 3712 1 10 . 1 1 52 52 GLU H H 52 8.299 8.299 8.609 -0.310 19614 3713 1 10 . 1 1 53 53 SER N N 53 116.604 116.604 115.352 1.252 19614 3714 1 10 . 1 1 53 53 SER C C 53 176.283 176.283 176.908 -0.625 19614 3715 1 10 . 1 1 53 53 SER CA C 53 63.032 63.032 60.721 2.311 19614 3716 1 10 . 1 1 53 53 SER H H 53 8.254 8.254 8.235 0.019 19614 3717 1 10 . 1 1 54 54 LEU N N 54 121.925 121.925 123.021 -1.096 19614 3718 1 10 . 1 1 54 54 LEU HA H 54 3.962 3.962 3.992 -0.030 19614 3719 1 10 . 1 1 54 54 LEU C C 54 178.897 178.897 178.259 0.638 19614 3720 1 10 . 1 1 54 54 LEU CA C 54 58.116 58.116 58.218 -0.102 19614 3721 1 10 . 1 1 54 54 LEU CB C 54 41.576 41.576 41.874 -0.298 19614 3722 1 10 . 1 1 54 54 LEU H H 54 8.693 8.693 8.651 0.042 19614 3723 1 10 . 1 1 55 55 SER N N 55 114.515 114.515 114.950 -0.435 19614 3724 1 10 . 1 1 55 55 SER HA H 55 4.181 4.181 4.046 0.135 19614 3725 1 10 . 1 1 55 55 SER C C 55 177.381 177.381 176.641 0.740 19614 3726 1 10 . 1 1 55 55 SER CA C 55 61.568 61.568 62.642 -1.074 19614 3727 1 10 . 1 1 55 55 SER CB C 55 62.527 62.527 62.927 -0.400 19614 3728 1 10 . 1 1 55 55 SER H H 55 7.823 7.823 8.607 -0.784 19614 3729 1 10 . 1 1 56 56 GLN N N 56 120.605 120.605 121.501 -0.896 19614 3730 1 10 . 1 1 56 56 GLN HA H 56 4.087 4.087 4.188 -0.101 19614 3731 1 10 . 1 1 56 56 GLN C C 56 178.904 178.904 177.960 0.944 19614 3732 1 10 . 1 1 56 56 GLN CA C 56 58.679 58.679 58.140 0.539 19614 3733 1 10 . 1 1 56 56 GLN CB C 56 28.669 28.669 28.349 0.320 19614 3734 1 10 . 1 1 56 56 GLN H H 56 7.886 7.886 7.754 0.132 19614 3735 1 10 . 1 1 57 57 LEU N N 57 120.488 120.488 123.206 -2.718 19614 3736 1 10 . 1 1 57 57 LEU HA H 57 3.953 3.953 3.958 -0.005 19614 3737 1 10 . 1 1 57 57 LEU C C 57 177.406 177.406 178.166 -0.760 19614 3738 1 10 . 1 1 57 57 LEU CA C 57 57.957 57.957 58.627 -0.670 19614 3739 1 10 . 1 1 57 57 LEU CB C 57 41.486 41.486 42.033 -0.547 19614 3740 1 10 . 1 1 57 57 LEU H H 57 8.845 8.845 8.106 0.739 19614 3741 1 10 . 1 1 58 58 LYS N N 58 118.053 118.053 117.179 0.874 19614 3742 1 10 . 1 1 58 58 LYS C C 58 176.891 176.891 179.043 -2.152 19614 3743 1 10 . 1 1 58 58 LYS CA C 58 60.535 60.535 59.504 1.031 19614 3744 1 10 . 1 1 58 58 LYS CB C 58 31.903 31.903 31.670 0.233 19614 3745 1 10 . 1 1 58 58 LYS H H 58 8.145 8.145 8.114 0.031 19614 3746 1 10 . 1 1 59 59 THR N N 59 112.948 112.948 117.851 -4.903 19614 3747 1 10 . 1 1 59 59 THR HA H 59 3.812 3.812 4.298 -0.486 19614 3748 1 10 . 1 1 59 59 THR C C 59 176.273 176.273 176.787 -0.514 19614 3749 1 10 . 1 1 59 59 THR CA C 59 66.367 66.367 66.325 0.042 19614 3750 1 10 . 1 1 59 59 THR CB C 59 68.902 68.902 68.771 0.131 19614 3751 1 10 . 1 1 59 59 THR H H 59 7.393 7.393 7.636 -0.243 19614 3752 1 10 . 1 1 60 60 LEU N N 60 120.435 120.435 121.798 -1.363 19614 3753 1 10 . 1 1 60 60 LEU HA H 60 4.066 4.066 4.080 -0.014 19614 3754 1 10 . 1 1 60 60 LEU C C 60 179.994 179.994 179.011 0.983 19614 3755 1 10 . 1 1 60 60 LEU CA C 60 58.096 58.096 58.103 -0.007 19614 3756 1 10 . 1 1 60 60 LEU CB C 60 43.107 43.107 41.444 1.663 19614 3757 1 10 . 1 1 60 60 LEU H H 60 8.005 8.005 8.393 -0.388 19614 3758 1 10 . 1 1 61 61 ILE N N 61 120.041 120.041 120.048 -0.007 19614 3759 1 10 . 1 1 61 61 ILE HA H 61 3.934 3.934 3.511 0.423 19614 3760 1 10 . 1 1 61 61 ILE C C 61 176.957 176.957 178.072 -1.115 19614 3761 1 10 . 1 1 61 61 ILE CA C 61 60.979 60.979 64.162 -3.183 19614 3762 1 10 . 1 1 61 61 ILE CB C 61 37.229 37.229 36.910 0.320 19614 3763 1 10 . 1 1 61 61 ILE H H 61 8.847 8.847 8.472 0.375 19614 3764 1 10 . 1 1 62 62 LEU N N 62 121.236 121.236 119.478 1.758 19614 3765 1 10 . 1 1 62 62 LEU HA H 62 3.909 3.909 3.958 -0.049 19614 3766 1 10 . 1 1 62 62 LEU C C 62 179.562 179.562 178.718 0.844 19614 3767 1 10 . 1 1 62 62 LEU CA C 62 58.035 58.035 57.569 0.466 19614 3768 1 10 . 1 1 62 62 LEU CB C 62 40.219 40.219 40.421 -0.202 19614 3769 1 10 . 1 1 62 62 LEU H H 62 7.944 7.944 8.175 -0.231 19614 3770 1 10 . 1 1 63 63 ASP N N 63 117.983 117.983 119.393 -1.410 19614 3771 1 10 . 1 1 63 63 ASP HA H 63 4.458 4.458 4.381 0.077 19614 3772 1 10 . 1 1 63 63 ASP C C 63 178.858 178.858 176.861 1.997 19614 3773 1 10 . 1 1 63 63 ASP CA C 63 56.964 56.964 56.753 0.211 19614 3774 1 10 . 1 1 63 63 ASP CB C 63 40.822 40.822 41.627 -0.805 19614 3775 1 10 . 1 1 63 63 ASP H H 63 7.844 7.844 7.581 0.263 19614 3776 1 10 . 1 1 64 64 ALA N N 64 122.425 122.425 120.038 2.387 19614 3777 1 10 . 1 1 64 64 ALA HA H 64 4.086 4.086 4.185 -0.099 19614 3778 1 10 . 1 1 64 64 ALA C C 64 179.354 179.354 179.215 0.139 19614 3779 1 10 . 1 1 64 64 ALA CA C 64 54.396 54.396 54.332 0.064 19614 3780 1 10 . 1 1 64 64 ALA CB C 64 17.785 17.785 19.222 -1.437 19614 3781 1 10 . 1 1 64 64 ALA H H 64 7.869 7.869 7.672 0.197 19614 3782 1 10 . 1 1 65 65 LEU N N 65 116.489 116.489 115.287 1.202 19614 3783 1 10 . 1 1 65 65 LEU HA H 65 4.222 4.222 4.345 -0.123 19614 3784 1 10 . 1 1 65 65 LEU C C 65 176.661 176.661 176.511 0.150 19614 3785 1 10 . 1 1 65 65 LEU CA C 65 54.642 54.642 55.059 -0.417 19614 3786 1 10 . 1 1 65 65 LEU CB C 65 41.957 41.957 43.068 -1.111 19614 3787 1 10 . 1 1 65 65 LEU H H 65 7.669 7.669 7.623 0.046 19614 3788 1 10 . 1 1 66 66 LYS N N 66 118.229 118.229 116.686 1.543 19614 3789 1 10 . 1 1 66 66 LYS HA H 66 4.058 4.058 3.922 0.136 19614 3790 1 10 . 1 1 66 66 LYS C C 66 176.651 176.651 176.403 0.248 19614 3791 1 10 . 1 1 66 66 LYS CA C 66 57.100 57.100 56.888 0.212 19614 3792 1 10 . 1 1 66 66 LYS CB C 66 30.249 30.249 29.974 0.275 19614 3793 1 10 . 1 1 66 66 LYS H H 66 7.806 7.806 7.692 0.114 19614 3794 1 10 . 1 1 67 67 LYS N N 67 119.380 119.380 118.078 1.302 19614 3795 1 10 . 1 1 67 67 LYS HA H 67 4.278 4.278 4.119 0.159 19614 3796 1 10 . 1 1 67 67 LYS C C 67 176.163 176.163 176.201 -0.038 19614 3797 1 10 . 1 1 67 67 LYS CA C 67 55.658 55.658 58.218 -2.560 19614 3798 1 10 . 1 1 67 67 LYS CB C 67 33.462 33.462 32.827 0.635 19614 3799 1 10 . 1 1 67 67 LYS H H 67 8.249 8.249 8.297 -0.048 19614 3800 1 10 . 1 1 68 68 ASP N N 68 120.812 120.812 116.737 4.075 19614 3801 1 10 . 1 1 68 68 ASP HA H 68 4.601 4.601 4.769 -0.168 19614 3802 1 10 . 1 1 68 68 ASP C C 68 177.001 177.001 175.719 1.282 19614 3803 1 10 . 1 1 68 68 ASP CA C 68 54.192 54.192 53.833 0.359 19614 3804 1 10 . 1 1 68 68 ASP CB C 68 41.383 41.383 43.520 -2.137 19614 3805 1 10 . 1 1 68 68 ASP H H 68 8.350 8.350 7.865 0.485 19614 3806 1 10 . 1 1 69 69 SER N N 69 119.061 119.061 118.090 0.971 19614 3807 1 10 . 1 1 69 69 SER HA H 69 4.199 4.199 4.282 -0.083 19614 3808 1 10 . 1 1 69 69 SER C C 69 175.643 175.643 176.318 -0.675 19614 3809 1 10 . 1 1 69 69 SER CA C 69 59.636 59.636 60.702 -1.066 19614 3810 1 10 . 1 1 69 69 SER CB C 69 63.237 63.237 63.413 -0.176 19614 3811 1 10 . 1 1 69 69 SER H H 69 8.608 8.608 8.640 -0.032 19614 3812 1 10 . 1 1 70 70 SER N N 70 118.325 118.325 118.299 0.026 19614 3813 1 10 . 1 1 70 70 SER HA H 70 4.335 4.335 4.311 0.024 19614 3814 1 10 . 1 1 70 70 SER C C 70 175.275 175.275 175.406 -0.131 19614 3815 1 10 . 1 1 70 70 SER CA C 70 59.700 59.700 60.222 -0.522 19614 3816 1 10 . 1 1 70 70 SER CB C 70 63.243 63.243 62.903 0.341 19614 3817 1 10 . 1 1 70 70 SER H H 70 8.514 8.514 8.275 0.239 19614 3818 1 10 . 1 1 71 71 ARG N N 71 121.317 121.317 116.731 4.586 19614 3819 1 10 . 1 1 71 71 ARG HA H 71 4.231 4.231 4.101 0.130 19614 3820 1 10 . 1 1 71 71 ARG C C 71 176.223 176.223 178.523 -2.300 19614 3821 1 10 . 1 1 71 71 ARG CA C 71 56.368 56.368 58.134 -1.766 19614 3822 1 10 . 1 1 71 71 ARG CB C 71 30.148 30.148 29.423 0.725 19614 3823 1 10 . 1 1 71 71 ARG H H 71 7.965 7.965 7.951 0.014 19614 3824 1 10 . 1 1 72 72 HIS N N 72 118.894 118.894 120.753 -1.859 19614 3825 1 10 . 1 1 72 72 HIS HA H 72 4.663 4.663 4.308 0.355 19614 3826 1 10 . 1 1 72 72 HIS C C 72 175.122 175.122 176.368 -1.246 19614 3827 1 10 . 1 1 72 72 HIS CA C 72 55.935 55.935 59.054 -3.119 19614 3828 1 10 . 1 1 72 72 HIS CB C 72 29.974 29.974 30.056 -0.082 19614 3829 1 10 . 1 1 72 72 HIS H H 72 8.036 8.036 7.757 0.279 19614 3830 1 10 . 1 1 73 73 SER N N 73 116.302 116.302 112.502 3.800 19614 3831 1 10 . 1 1 73 73 SER HA H 73 4.313 4.313 4.299 0.014 19614 3832 1 10 . 1 1 73 73 SER C C 73 174.559 174.559 174.731 -0.172 19614 3833 1 10 . 1 1 73 73 SER CA C 73 59.297 59.297 59.416 -0.119 19614 3834 1 10 . 1 1 73 73 SER CB C 73 63.522 63.522 63.025 0.497 19614 3835 1 10 . 1 1 73 73 SER H H 73 8.029 8.029 7.908 0.121 19614 3836 1 10 . 1 1 74 74 LYS N N 74 122.545 122.545 121.126 1.419 19614 3837 1 10 . 1 1 74 74 LYS HA H 74 4.336 4.336 4.447 -0.111 19614 3838 1 10 . 1 1 74 74 LYS C C 74 175.929 175.929 174.714 1.215 19614 3839 1 10 . 1 1 74 74 LYS CA C 74 55.918 55.918 55.239 0.679 19614 3840 1 10 . 1 1 74 74 LYS CB C 74 32.143 32.143 32.299 -0.156 19614 3841 1 10 . 1 1 74 74 LYS H H 74 8.394 8.394 7.473 0.921 19614 3842 1 10 . 1 1 75 75 LEU N N 75 123.393 123.393 122.813 0.580 19614 3843 1 10 . 1 1 75 75 LEU HA H 75 4.402 4.402 4.259 0.143 19614 3844 1 10 . 1 1 75 75 LEU C C 75 176.575 176.575 176.671 -0.096 19614 3845 1 10 . 1 1 75 75 LEU CA C 75 54.697 54.697 54.891 -0.194 19614 3846 1 10 . 1 1 75 75 LEU CB C 75 43.481 43.481 42.175 1.306 19614 3847 1 10 . 1 1 75 75 LEU H H 75 7.943 7.943 7.627 0.316 19614 3848 1 10 . 1 1 76 76 GLU N N 76 123.357 123.357 123.381 -0.024 19614 3849 1 10 . 1 1 76 76 GLU HA H 76 4.551 4.551 4.452 0.099 19614 3850 1 10 . 1 1 76 76 GLU C C 76 177.445 177.445 177.036 0.409 19614 3851 1 10 . 1 1 76 76 GLU CA C 76 54.962 54.962 55.027 -0.065 19614 3852 1 10 . 1 1 76 76 GLU CB C 76 31.245 31.245 30.994 0.251 19614 3853 1 10 . 1 1 76 76 GLU H H 76 9.136 9.136 8.466 0.670 19614 3854 1 10 . 1 1 77 77 LYS N N 77 122.655 122.655 124.400 -1.745 19614 3855 1 10 . 1 1 77 77 LYS HA H 77 3.830 3.830 3.811 0.019 19614 3856 1 10 . 1 1 77 77 LYS C C 77 177.908 177.908 178.021 -0.113 19614 3857 1 10 . 1 1 77 77 LYS CA C 77 61.105 61.105 60.515 0.590 19614 3858 1 10 . 1 1 77 77 LYS CB C 77 32.423 32.423 32.235 0.188 19614 3859 1 10 . 1 1 77 77 LYS H H 77 8.858 8.858 8.868 -0.010 19614 3860 1 10 . 1 1 78 78 ALA N N 78 118.008 118.008 119.288 -1.280 19614 3861 1 10 . 1 1 78 78 ALA HA H 78 3.892 3.892 4.050 -0.158 19614 3862 1 10 . 1 1 78 78 ALA C C 78 179.758 179.758 179.817 -0.059 19614 3863 1 10 . 1 1 78 78 ALA CA C 78 55.456 55.456 54.760 0.697 19614 3864 1 10 . 1 1 78 78 ALA CB C 78 17.839 17.839 18.111 -0.272 19614 3865 1 10 . 1 1 78 78 ALA H H 78 9.131 9.131 8.285 0.846 19614 3866 1 10 . 1 1 79 79 ASP N N 79 114.744 114.744 118.419 -3.675 19614 3867 1 10 . 1 1 79 79 ASP HA H 79 4.346 4.346 4.530 -0.184 19614 3868 1 10 . 1 1 79 79 ASP C C 79 178.104 178.104 178.426 -0.322 19614 3869 1 10 . 1 1 79 79 ASP CA C 79 57.088 57.088 56.620 0.469 19614 3870 1 10 . 1 1 79 79 ASP CB C 79 41.728 41.728 40.993 0.735 19614 3871 1 10 . 1 1 79 79 ASP H H 79 7.052 7.052 7.848 -0.796 19614 3872 1 10 . 1 1 80 80 ILE N N 80 119.398 119.398 120.992 -1.594 19614 3873 1 10 . 1 1 80 80 ILE HA H 80 3.592 3.592 3.718 -0.126 19614 3874 1 10 . 1 1 80 80 ILE C C 80 179.567 179.567 177.847 1.720 19614 3875 1 10 . 1 1 80 80 ILE CA C 80 64.201 64.201 65.260 -1.059 19614 3876 1 10 . 1 1 80 80 ILE CB C 80 37.514 37.514 38.131 -0.617 19614 3877 1 10 . 1 1 80 80 ILE H H 80 7.983 7.983 7.654 0.329 19614 3878 1 10 . 1 1 81 81 LEU N N 81 120.930 120.930 119.714 1.216 19614 3879 1 10 . 1 1 81 81 LEU HA H 81 3.931 3.931 3.966 -0.035 19614 3880 1 10 . 1 1 81 81 LEU C C 81 178.312 178.312 179.981 -1.669 19614 3881 1 10 . 1 1 81 81 LEU CA C 81 58.588 58.588 57.918 0.670 19614 3882 1 10 . 1 1 81 81 LEU CB C 81 41.727 41.727 41.343 0.384 19614 3883 1 10 . 1 1 81 81 LEU H H 81 8.171 8.171 8.494 -0.323 19614 3884 1 10 . 1 1 82 82 GLU N N 82 119.314 119.314 120.004 -0.690 19614 3885 1 10 . 1 1 82 82 GLU HA H 82 3.917 3.917 3.931 -0.014 19614 3886 1 10 . 1 1 82 82 GLU C C 82 180.151 180.151 178.624 1.527 19614 3887 1 10 . 1 1 82 82 GLU CA C 82 59.864 59.864 59.477 0.387 19614 3888 1 10 . 1 1 82 82 GLU CB C 82 29.364 29.364 29.492 -0.128 19614 3889 1 10 . 1 1 82 82 GLU H H 82 7.984 7.984 7.761 0.223 19614 3890 1 10 . 1 1 83 83 MET N N 83 118.669 118.669 118.882 -0.213 19614 3891 1 10 . 1 1 83 83 MET HA H 83 4.033 4.033 4.141 -0.108 19614 3892 1 10 . 1 1 83 83 MET C C 83 178.488 178.488 178.415 0.073 19614 3893 1 10 . 1 1 83 83 MET CA C 83 59.083 59.083 58.417 0.666 19614 3894 1 10 . 1 1 83 83 MET CB C 83 33.883 33.883 32.264 1.619 19614 3895 1 10 . 1 1 83 83 MET H H 83 8.639 8.639 7.705 0.934 19614 3896 1 10 . 1 1 84 84 THR N N 84 118.733 118.733 115.708 3.025 19614 3897 1 10 . 1 1 84 84 THR HA H 84 3.853 3.853 4.084 -0.231 19614 3898 1 10 . 1 1 84 84 THR C C 84 175.659 175.659 176.891 -1.232 19614 3899 1 10 . 1 1 84 84 THR CA C 84 68.029 68.029 66.352 1.677 19614 3900 1 10 . 1 1 84 84 THR CB C 84 67.595 67.595 68.256 -0.661 19614 3901 1 10 . 1 1 84 84 THR H H 84 7.946 7.946 7.720 0.226 19614 3902 1 10 . 1 1 85 85 VAL N N 85 122.083 122.083 122.287 -0.204 19614 3903 1 10 . 1 1 85 85 VAL HA H 85 3.311 3.311 3.565 -0.254 19614 3904 1 10 . 1 1 85 85 VAL C C 85 177.078 177.078 178.067 -0.989 19614 3905 1 10 . 1 1 85 85 VAL CA C 85 67.381 67.381 66.607 0.774 19614 3906 1 10 . 1 1 85 85 VAL CB C 85 32.168 32.168 31.291 0.877 19614 3907 1 10 . 1 1 85 85 VAL H H 85 8.089 8.089 7.636 0.453 19614 3908 1 10 . 1 1 86 86 LYS N N 86 117.409 117.409 118.340 -0.931 19614 3909 1 10 . 1 1 86 86 LYS HA H 86 3.835 3.835 4.049 -0.214 19614 3910 1 10 . 1 1 86 86 LYS C C 86 178.617 178.617 179.205 -0.588 19614 3911 1 10 . 1 1 86 86 LYS CA C 86 60.014 60.014 58.758 1.256 19614 3912 1 10 . 1 1 86 86 LYS CB C 86 32.336 32.336 31.617 0.719 19614 3913 1 10 . 1 1 86 86 LYS H H 86 7.785 7.785 8.595 -0.810 19614 3914 1 10 . 1 1 87 87 HIS N N 87 118.731 118.731 120.368 -1.637 19614 3915 1 10 . 1 1 87 87 HIS HA H 87 4.513 4.513 4.437 0.076 19614 3916 1 10 . 1 1 87 87 HIS C C 87 177.356 177.356 177.326 0.030 19614 3917 1 10 . 1 1 87 87 HIS CA C 87 59.368 59.368 58.865 0.503 19614 3918 1 10 . 1 1 87 87 HIS CB C 87 32.047 32.047 30.094 1.953 19614 3919 1 10 . 1 1 87 87 HIS H H 87 8.055 8.055 7.845 0.210 19614 3920 1 10 . 1 1 88 88 LEU N N 88 117.189 117.189 121.142 -3.953 19614 3921 1 10 . 1 1 88 88 LEU C C 88 180.158 180.158 178.898 1.260 19614 3922 1 10 . 1 1 88 88 LEU CA C 88 57.927 57.927 58.535 -0.608 19614 3923 1 10 . 1 1 88 88 LEU CB C 88 41.748 41.748 41.278 0.470 19614 3924 1 10 . 1 1 88 88 LEU H H 88 8.450 8.450 8.416 0.034 19614 3925 1 10 . 1 1 89 89 ARG N N 89 119.542 119.542 118.487 1.055 19614 3926 1 10 . 1 1 89 89 ARG HA H 89 3.901 3.901 3.908 -0.007 19614 3927 1 10 . 1 1 89 89 ARG C C 89 178.875 178.875 178.789 0.086 19614 3928 1 10 . 1 1 89 89 ARG CA C 89 59.667 59.667 59.113 0.554 19614 3929 1 10 . 1 1 89 89 ARG CB C 89 29.542 29.542 29.485 0.057 19614 3930 1 10 . 1 1 89 89 ARG H H 89 8.616 8.616 7.907 0.709 19614 3931 1 10 . 1 1 90 90 ASN N N 90 118.676 118.676 118.517 0.159 19614 3932 1 10 . 1 1 90 90 ASN HA H 90 4.478 4.478 4.457 0.021 19614 3933 1 10 . 1 1 90 90 ASN C C 90 177.824 177.824 178.354 -0.530 19614 3934 1 10 . 1 1 90 90 ASN CA C 90 55.393 55.393 55.801 -0.408 19614 3935 1 10 . 1 1 90 90 ASN CB C 90 37.874 37.874 38.158 -0.284 19614 3936 1 10 . 1 1 90 90 ASN H H 90 7.935 7.935 7.729 0.206 19614 3937 1 10 . 1 1 91 91 LEU N N 91 119.885 119.885 119.719 0.166 19614 3938 1 10 . 1 1 91 91 LEU HA H 91 4.045 4.045 4.055 -0.010 19614 3939 1 10 . 1 1 91 91 LEU C C 91 178.707 178.707 178.109 0.598 19614 3940 1 10 . 1 1 91 91 LEU CA C 91 56.705 56.705 57.041 -0.336 19614 3941 1 10 . 1 1 91 91 LEU CB C 91 41.918 41.918 41.467 0.451 19614 3942 1 10 . 1 1 91 91 LEU H H 91 7.890 7.890 8.272 -0.382 19614 3943 1 10 . 1 1 92 92 GLN N N 92 118.288 118.288 116.907 1.381 19614 3944 1 10 . 1 1 92 92 GLN HA H 92 4.149 4.149 4.225 -0.076 19614 3945 1 10 . 1 1 92 92 GLN C C 92 176.562 176.562 177.534 -0.972 19614 3946 1 10 . 1 1 92 92 GLN CA C 92 57.055 57.055 57.411 -0.356 19614 3947 1 10 . 1 1 92 92 GLN CB C 92 28.937 28.937 29.156 -0.219 19614 3948 1 10 . 1 1 92 92 GLN H H 92 7.683 7.683 7.588 0.095 19614 3949 1 10 . 1 1 93 93 ARG N N 93 119.664 119.664 116.119 3.545 19614 3950 1 10 . 1 1 93 93 ARG HA H 93 4.238 4.238 4.561 -0.323 19614 3951 1 10 . 1 1 93 93 ARG C C 93 175.928 175.928 176.677 -0.749 19614 3952 1 10 . 1 1 93 93 ARG CA C 93 56.467 56.467 55.980 0.487 19614 3953 1 10 . 1 1 93 93 ARG CB C 93 30.459 30.459 29.606 0.853 19614 3954 1 10 . 1 1 93 93 ARG H H 93 7.786 7.786 7.907 -0.121 19614 3955 1 10 . 1 1 94 94 ALA N N 94 124.562 124.562 121.888 2.674 19614 3956 1 10 . 1 1 94 94 ALA HA H 94 4.308 4.308 4.242 0.066 19614 3957 1 10 . 1 1 94 94 ALA C C 94 176.753 176.753 177.092 -0.339 19614 3958 1 10 . 1 1 94 94 ALA CA C 94 52.465 52.465 53.316 -0.852 19614 3959 1 10 . 1 1 94 94 ALA CB C 94 19.023 19.023 18.779 0.244 19614 3960 1 10 . 1 1 94 94 ALA H H 94 8.017 8.017 8.188 -0.171 19614 3961 1 11 . 1 1 27 27 LYS HA H 27 4.626 4.626 4.817 -0.191 19614 3962 1 11 . 1 1 27 27 LYS CA C 27 54.410 54.410 55.282 -0.872 19614 3963 1 11 . 1 1 27 27 LYS CB C 27 32.346 32.346 32.829 -0.483 19614 3964 1 11 . 1 1 28 28 PRO HA H 28 4.402 4.402 4.419 -0.017 19614 3965 1 11 . 1 1 28 28 PRO C C 28 176.815 176.815 175.486 1.329 19614 3966 1 11 . 1 1 28 28 PRO CA C 28 62.876 62.876 63.375 -0.499 19614 3967 1 11 . 1 1 28 28 PRO CB C 28 32.162 32.162 32.230 -0.068 19614 3968 1 11 . 1 1 29 29 LYS N N 29 122.449 122.449 121.280 1.169 19614 3969 1 11 . 1 1 29 29 LYS HA H 29 4.297 4.297 4.575 -0.278 19614 3970 1 11 . 1 1 29 29 LYS C C 29 176.961 176.961 175.570 1.391 19614 3971 1 11 . 1 1 29 29 LYS CA C 29 56.463 56.463 55.057 1.406 19614 3972 1 11 . 1 1 29 29 LYS CB C 29 32.816 32.816 33.648 -0.832 19614 3973 1 11 . 1 1 29 29 LYS H H 29 8.586 8.586 8.143 0.443 19614 3974 1 11 . 1 1 30 30 THR N N 30 115.695 115.695 116.250 -0.555 19614 3975 1 11 . 1 1 30 30 THR HA H 30 4.293 4.293 4.524 -0.231 19614 3976 1 11 . 1 1 30 30 THR C C 30 174.354 174.354 174.167 0.187 19614 3977 1 11 . 1 1 30 30 THR CA C 30 61.555 61.555 62.828 -1.272 19614 3978 1 11 . 1 1 30 30 THR CB C 30 69.949 69.949 68.416 1.533 19614 3979 1 11 . 1 1 30 30 THR H H 30 8.219 8.219 8.442 -0.223 19614 3980 1 11 . 1 1 31 31 ALA N N 31 125.923 125.923 129.292 -3.369 19614 3981 1 11 . 1 1 31 31 ALA HA H 31 4.312 4.312 4.447 -0.135 19614 3982 1 11 . 1 1 31 31 ALA C C 31 178.014 178.014 176.685 1.329 19614 3983 1 11 . 1 1 31 31 ALA CA C 31 52.781 52.781 52.501 0.280 19614 3984 1 11 . 1 1 31 31 ALA CB C 31 19.125 19.125 19.811 -0.686 19614 3985 1 11 . 1 1 31 31 ALA H H 31 8.505 8.505 8.779 -0.274 19614 3986 1 11 . 1 1 32 32 SER N N 32 115.249 115.249 112.882 2.367 19614 3987 1 11 . 1 1 32 32 SER HA H 32 4.338 4.338 4.429 -0.091 19614 3988 1 11 . 1 1 32 32 SER C C 32 174.783 174.783 173.898 0.885 19614 3989 1 11 . 1 1 32 32 SER CA C 32 58.633 58.633 56.744 1.889 19614 3990 1 11 . 1 1 32 32 SER CB C 32 63.475 63.475 64.384 -0.909 19614 3991 1 11 . 1 1 32 32 SER H H 32 8.365 8.365 7.231 1.134 19614 3992 1 11 . 1 1 33 33 GLU N N 33 122.748 122.748 121.970 0.778 19614 3993 1 11 . 1 1 33 33 GLU HA H 33 4.205 4.205 4.203 0.002 19614 3994 1 11 . 1 1 33 33 GLU C C 33 176.411 176.411 176.652 -0.241 19614 3995 1 11 . 1 1 33 33 GLU CA C 33 56.678 56.678 56.682 -0.004 19614 3996 1 11 . 1 1 33 33 GLU CB C 33 30.241 30.241 30.103 0.138 19614 3997 1 11 . 1 1 33 33 GLU H H 33 8.390 8.390 8.689 -0.299 19614 3998 1 11 . 1 1 34 34 HIS N N 34 120.453 120.453 115.486 4.967 19614 3999 1 11 . 1 1 34 34 HIS HA H 34 4.605 4.605 4.254 0.351 19614 4000 1 11 . 1 1 34 34 HIS C C 34 175.167 175.167 174.246 0.921 19614 4001 1 11 . 1 1 34 34 HIS CA C 34 56.035 56.035 57.147 -1.112 19614 4002 1 11 . 1 1 34 34 HIS CB C 34 29.938 29.938 29.350 0.588 19614 4003 1 11 . 1 1 34 34 HIS H H 34 8.431 8.431 7.528 0.903 19614 4004 1 11 . 1 1 35 35 ARG N N 35 122.797 122.797 120.268 2.529 19614 4005 1 11 . 1 1 35 35 ARG HA H 35 4.261 4.261 4.490 -0.229 19614 4006 1 11 . 1 1 35 35 ARG C C 35 176.411 176.411 173.972 2.439 19614 4007 1 11 . 1 1 35 35 ARG CA C 35 56.306 56.306 55.553 0.753 19614 4008 1 11 . 1 1 35 35 ARG CB C 35 30.587 30.587 32.663 -2.076 19614 4009 1 11 . 1 1 35 35 ARG H H 35 8.419 8.419 8.436 -0.017 19614 4010 1 11 . 1 1 36 36 LYS N N 36 122.974 122.974 121.582 1.392 19614 4011 1 11 . 1 1 36 36 LYS HA H 36 4.288 4.288 4.550 -0.262 19614 4012 1 11 . 1 1 36 36 LYS C C 36 176.738 176.738 174.543 2.195 19614 4013 1 11 . 1 1 36 36 LYS CA C 36 56.514 56.514 56.727 -0.213 19614 4014 1 11 . 1 1 36 36 LYS CB C 36 32.857 32.857 33.945 -1.088 19614 4015 1 11 . 1 1 36 36 LYS H H 36 8.482 8.482 8.329 0.153 19614 4016 1 11 . 1 1 37 37 SER N N 37 117.137 117.137 121.180 -4.043 19614 4017 1 11 . 1 1 37 37 SER HA H 37 4.469 4.469 4.796 -0.327 19614 4018 1 11 . 1 1 37 37 SER C C 37 174.495 174.495 174.844 -0.349 19614 4019 1 11 . 1 1 37 37 SER CA C 37 58.115 58.115 58.757 -0.641 19614 4020 1 11 . 1 1 37 37 SER CB C 37 63.627 63.627 65.627 -2.000 19614 4021 1 11 . 1 1 37 37 SER H H 37 8.410 8.410 9.595 -1.185 19614 4022 1 11 . 1 1 38 38 SER N N 38 118.622 118.622 116.964 1.658 19614 4023 1 11 . 1 1 38 38 SER HA H 38 4.467 4.467 4.484 -0.017 19614 4024 1 11 . 1 1 38 38 SER C C 38 174.332 174.332 173.025 1.307 19614 4025 1 11 . 1 1 38 38 SER CA C 38 58.187 58.187 58.924 -0.737 19614 4026 1 11 . 1 1 38 38 SER CB C 38 63.703 63.703 64.406 -0.703 19614 4027 1 11 . 1 1 38 38 SER H H 38 8.456 8.456 9.004 -0.548 19614 4028 1 11 . 1 1 39 39 LYS N N 39 124.176 124.176 122.992 1.184 19614 4029 1 11 . 1 1 39 39 LYS HA H 39 4.478 4.478 4.846 -0.368 19614 4030 1 11 . 1 1 39 39 LYS C C 39 174.904 174.904 175.110 -0.206 19614 4031 1 11 . 1 1 39 39 LYS CA C 39 56.707 56.707 52.690 4.017 19614 4032 1 11 . 1 1 39 39 LYS CB C 39 31.595 31.595 32.885 -1.290 19614 4033 1 11 . 1 1 39 39 LYS H H 39 8.489 8.489 8.102 0.387 19614 4034 1 11 . 1 1 40 40 PRO HA H 40 4.401 4.401 4.303 0.098 19614 4035 1 11 . 1 1 40 40 PRO C C 40 178.173 178.173 178.748 -0.575 19614 4036 1 11 . 1 1 40 40 PRO CA C 40 64.315 64.315 65.511 -1.196 19614 4037 1 11 . 1 1 40 40 PRO CB C 40 31.675 31.675 31.982 -0.307 19614 4038 1 11 . 1 1 41 41 ILE N N 41 120.414 120.414 117.546 2.868 19614 4039 1 11 . 1 1 41 41 ILE HA H 41 3.967 3.967 3.917 0.050 19614 4040 1 11 . 1 1 41 41 ILE C C 41 177.393 177.393 177.513 -0.120 19614 4041 1 11 . 1 1 41 41 ILE CA C 41 62.575 62.575 64.510 -1.935 19614 4042 1 11 . 1 1 41 41 ILE CB C 41 37.900 37.900 37.796 0.104 19614 4043 1 11 . 1 1 41 41 ILE H H 41 8.011 8.011 7.843 0.168 19614 4044 1 11 . 1 1 42 42 MET N N 42 122.411 122.411 118.274 4.137 19614 4045 1 11 . 1 1 42 42 MET HA H 42 4.330 4.330 4.213 0.117 19614 4046 1 11 . 1 1 42 42 MET C C 42 178.050 178.050 178.629 -0.579 19614 4047 1 11 . 1 1 42 42 MET CA C 42 56.959 56.959 57.861 -0.902 19614 4048 1 11 . 1 1 42 42 MET CB C 42 32.024 32.024 31.118 0.906 19614 4049 1 11 . 1 1 42 42 MET H H 42 8.335 8.335 8.036 0.299 19614 4050 1 11 . 1 1 43 43 GLU N N 43 121.832 121.832 118.001 3.831 19614 4051 1 11 . 1 1 43 43 GLU HA H 43 4.193 4.193 4.116 0.077 19614 4052 1 11 . 1 1 43 43 GLU C C 43 177.835 177.835 179.046 -1.211 19614 4053 1 11 . 1 1 43 43 GLU CA C 43 58.157 58.157 58.865 -0.708 19614 4054 1 11 . 1 1 43 43 GLU CB C 43 29.543 29.543 29.006 0.536 19614 4055 1 11 . 1 1 43 43 GLU H H 43 8.397 8.397 8.697 -0.300 19614 4056 1 11 . 1 1 44 44 LYS N N 44 121.347 121.347 121.511 -0.164 19614 4057 1 11 . 1 1 44 44 LYS HA H 44 4.083 4.083 4.136 -0.053 19614 4058 1 11 . 1 1 44 44 LYS C C 44 178.745 178.745 178.742 0.003 19614 4059 1 11 . 1 1 44 44 LYS CA C 44 58.846 58.846 58.437 0.409 19614 4060 1 11 . 1 1 44 44 LYS CB C 44 32.493 32.493 32.349 0.144 19614 4061 1 11 . 1 1 44 44 LYS H H 44 8.124 8.124 7.733 0.391 19614 4062 1 11 . 1 1 45 45 ARG N N 45 120.603 120.603 119.329 1.274 19614 4063 1 11 . 1 1 45 45 ARG HA H 45 4.247 4.247 4.037 0.210 19614 4064 1 11 . 1 1 45 45 ARG C C 45 178.025 178.025 178.776 -0.751 19614 4065 1 11 . 1 1 45 45 ARG CA C 45 58.201 58.201 59.675 -1.474 19614 4066 1 11 . 1 1 45 45 ARG CB C 45 29.888 29.888 30.239 -0.351 19614 4067 1 11 . 1 1 45 45 ARG H H 45 8.219 8.219 8.172 0.047 19614 4068 1 11 . 1 1 46 46 ARG N N 46 121.714 121.714 119.654 2.060 19614 4069 1 11 . 1 1 46 46 ARG HA H 46 3.908 3.908 4.034 -0.126 19614 4070 1 11 . 1 1 46 46 ARG C C 46 177.855 177.855 178.057 -0.202 19614 4071 1 11 . 1 1 46 46 ARG CA C 46 59.726 59.726 59.378 0.348 19614 4072 1 11 . 1 1 46 46 ARG CB C 46 30.215 30.215 30.150 0.065 19614 4073 1 11 . 1 1 46 46 ARG H H 46 8.245 8.245 8.444 -0.199 19614 4074 1 11 . 1 1 47 47 ARG N N 47 118.469 118.469 119.731 -1.262 19614 4075 1 11 . 1 1 47 47 ARG HA H 47 3.961 3.961 3.989 -0.028 19614 4076 1 11 . 1 1 47 47 ARG C C 47 177.899 177.899 178.217 -0.318 19614 4077 1 11 . 1 1 47 47 ARG CA C 47 58.541 58.541 59.378 -0.837 19614 4078 1 11 . 1 1 47 47 ARG CB C 47 29.704 29.704 30.031 -0.327 19614 4079 1 11 . 1 1 47 47 ARG H H 47 8.233 8.233 8.030 0.203 19614 4080 1 11 . 1 1 48 48 ALA N N 48 121.720 121.720 121.340 0.380 19614 4081 1 11 . 1 1 48 48 ALA HA H 48 4.205 4.205 4.003 0.203 19614 4082 1 11 . 1 1 48 48 ALA C C 48 180.284 180.284 179.774 0.510 19614 4083 1 11 . 1 1 48 48 ALA CA C 48 54.815 54.815 55.227 -0.412 19614 4084 1 11 . 1 1 48 48 ALA CB C 48 18.025 18.025 18.048 -0.023 19614 4085 1 11 . 1 1 48 48 ALA H H 48 7.962 7.962 8.070 -0.108 19614 4086 1 11 . 1 1 49 49 ARG N N 49 119.603 119.603 118.573 1.030 19614 4087 1 11 . 1 1 49 49 ARG C C 49 179.589 179.589 179.184 0.405 19614 4088 1 11 . 1 1 49 49 ARG CA C 49 59.291 59.291 59.423 -0.132 19614 4089 1 11 . 1 1 49 49 ARG CB C 49 30.993 30.993 30.131 0.862 19614 4090 1 11 . 1 1 49 49 ARG H H 49 8.103 8.103 7.565 0.538 19614 4091 1 11 . 1 1 50 50 ILE N N 50 121.545 121.545 121.182 0.363 19614 4092 1 11 . 1 1 50 50 ILE HA H 50 3.662 3.662 3.534 0.128 19614 4093 1 11 . 1 1 50 50 ILE C C 50 177.372 177.372 177.802 -0.430 19614 4094 1 11 . 1 1 50 50 ILE CA C 50 65.302 65.302 65.602 -0.300 19614 4095 1 11 . 1 1 50 50 ILE CB C 50 38.216 38.216 37.437 0.779 19614 4096 1 11 . 1 1 50 50 ILE H H 50 8.145 8.145 8.503 -0.358 19614 4097 1 11 . 1 1 51 51 ASN N N 51 117.894 117.894 118.109 -0.215 19614 4098 1 11 . 1 1 51 51 ASN HA H 51 4.407 4.407 4.395 0.012 19614 4099 1 11 . 1 1 51 51 ASN C C 51 178.725 178.725 178.324 0.401 19614 4100 1 11 . 1 1 51 51 ASN CA C 51 56.205 56.205 56.788 -0.583 19614 4101 1 11 . 1 1 51 51 ASN CB C 51 37.594 37.594 38.236 -0.642 19614 4102 1 11 . 1 1 51 51 ASN H H 51 8.431 8.431 8.289 0.142 19614 4103 1 11 . 1 1 52 52 GLU N N 52 121.612 121.612 121.097 0.515 19614 4104 1 11 . 1 1 52 52 GLU HA H 52 4.205 4.205 4.091 0.114 19614 4105 1 11 . 1 1 52 52 GLU C C 52 179.243 179.243 179.295 -0.052 19614 4106 1 11 . 1 1 52 52 GLU CA C 52 59.291 59.291 59.546 -0.255 19614 4107 1 11 . 1 1 52 52 GLU CB C 52 29.101 29.101 29.663 -0.562 19614 4108 1 11 . 1 1 52 52 GLU H H 52 8.299 8.299 8.743 -0.444 19614 4109 1 11 . 1 1 53 53 SER N N 53 116.604 116.604 116.012 0.592 19614 4110 1 11 . 1 1 53 53 SER C C 53 176.283 176.283 176.529 -0.246 19614 4111 1 11 . 1 1 53 53 SER CA C 53 63.032 63.032 62.041 0.991 19614 4112 1 11 . 1 1 53 53 SER H H 53 8.254 8.254 8.332 -0.078 19614 4113 1 11 . 1 1 54 54 LEU N N 54 121.925 121.925 122.430 -0.505 19614 4114 1 11 . 1 1 54 54 LEU HA H 54 3.962 3.962 4.105 -0.143 19614 4115 1 11 . 1 1 54 54 LEU C C 54 178.897 178.897 177.975 0.922 19614 4116 1 11 . 1 1 54 54 LEU CA C 54 58.116 58.116 57.778 0.338 19614 4117 1 11 . 1 1 54 54 LEU CB C 54 41.576 41.576 41.995 -0.419 19614 4118 1 11 . 1 1 54 54 LEU H H 54 8.693 8.693 8.381 0.312 19614 4119 1 11 . 1 1 55 55 SER N N 55 114.515 114.515 115.501 -0.986 19614 4120 1 11 . 1 1 55 55 SER HA H 55 4.181 4.181 4.083 0.098 19614 4121 1 11 . 1 1 55 55 SER C C 55 177.381 177.381 177.020 0.361 19614 4122 1 11 . 1 1 55 55 SER CA C 55 61.568 61.568 61.953 -0.385 19614 4123 1 11 . 1 1 55 55 SER CB C 55 62.527 62.527 62.823 -0.296 19614 4124 1 11 . 1 1 55 55 SER H H 55 7.823 7.823 8.543 -0.720 19614 4125 1 11 . 1 1 56 56 GLN N N 56 120.605 120.605 121.760 -1.155 19614 4126 1 11 . 1 1 56 56 GLN HA H 56 4.087 4.087 4.184 -0.097 19614 4127 1 11 . 1 1 56 56 GLN C C 56 178.904 178.904 178.224 0.680 19614 4128 1 11 . 1 1 56 56 GLN CA C 56 58.679 58.679 58.151 0.528 19614 4129 1 11 . 1 1 56 56 GLN CB C 56 28.669 28.669 28.050 0.619 19614 4130 1 11 . 1 1 56 56 GLN H H 56 7.886 7.886 7.750 0.136 19614 4131 1 11 . 1 1 57 57 LEU N N 57 120.488 120.488 122.971 -2.483 19614 4132 1 11 . 1 1 57 57 LEU HA H 57 3.953 3.953 3.917 0.036 19614 4133 1 11 . 1 1 57 57 LEU C C 57 177.406 177.406 178.381 -0.975 19614 4134 1 11 . 1 1 57 57 LEU CA C 57 57.957 57.957 58.331 -0.374 19614 4135 1 11 . 1 1 57 57 LEU CB C 57 41.486 41.486 41.830 -0.344 19614 4136 1 11 . 1 1 57 57 LEU H H 57 8.845 8.845 8.083 0.762 19614 4137 1 11 . 1 1 58 58 LYS N N 58 118.053 118.053 118.711 -0.658 19614 4138 1 11 . 1 1 58 58 LYS C C 58 176.891 176.891 179.033 -2.142 19614 4139 1 11 . 1 1 58 58 LYS CA C 58 60.535 60.535 60.017 0.519 19614 4140 1 11 . 1 1 58 58 LYS CB C 58 31.903 31.903 32.383 -0.480 19614 4141 1 11 . 1 1 58 58 LYS H H 58 8.145 8.145 8.259 -0.114 19614 4142 1 11 . 1 1 59 59 THR N N 59 112.948 112.948 116.196 -3.248 19614 4143 1 11 . 1 1 59 59 THR HA H 59 3.812 3.812 4.103 -0.291 19614 4144 1 11 . 1 1 59 59 THR C C 59 176.273 176.273 176.752 -0.479 19614 4145 1 11 . 1 1 59 59 THR CA C 59 66.367 66.367 66.716 -0.349 19614 4146 1 11 . 1 1 59 59 THR CB C 59 68.902 68.902 68.937 -0.035 19614 4147 1 11 . 1 1 59 59 THR H H 59 7.393 7.393 7.957 -0.564 19614 4148 1 11 . 1 1 60 60 LEU N N 60 120.435 120.435 121.545 -1.110 19614 4149 1 11 . 1 1 60 60 LEU HA H 60 4.066 4.066 4.028 0.038 19614 4150 1 11 . 1 1 60 60 LEU C C 60 179.994 179.994 178.946 1.048 19614 4151 1 11 . 1 1 60 60 LEU CA C 60 58.096 58.096 57.648 0.449 19614 4152 1 11 . 1 1 60 60 LEU CB C 60 43.107 43.107 41.606 1.501 19614 4153 1 11 . 1 1 60 60 LEU H H 60 8.005 8.005 8.348 -0.343 19614 4154 1 11 . 1 1 61 61 ILE N N 61 120.041 120.041 120.164 -0.123 19614 4155 1 11 . 1 1 61 61 ILE HA H 61 3.934 3.934 3.681 0.253 19614 4156 1 11 . 1 1 61 61 ILE C C 61 176.957 176.957 177.914 -0.957 19614 4157 1 11 . 1 1 61 61 ILE CA C 61 60.979 60.979 63.545 -2.566 19614 4158 1 11 . 1 1 61 61 ILE CB C 61 37.229 37.229 36.939 0.290 19614 4159 1 11 . 1 1 61 61 ILE H H 61 8.847 8.847 8.515 0.332 19614 4160 1 11 . 1 1 62 62 LEU N N 62 121.236 121.236 120.542 0.694 19614 4161 1 11 . 1 1 62 62 LEU HA H 62 3.909 3.909 3.972 -0.063 19614 4162 1 11 . 1 1 62 62 LEU C C 62 179.562 179.562 178.283 1.279 19614 4163 1 11 . 1 1 62 62 LEU CA C 62 58.035 58.035 57.568 0.467 19614 4164 1 11 . 1 1 62 62 LEU CB C 62 40.219 40.219 40.831 -0.612 19614 4165 1 11 . 1 1 62 62 LEU H H 62 7.944 7.944 8.046 -0.102 19614 4166 1 11 . 1 1 63 63 ASP N N 63 117.983 117.983 119.085 -1.102 19614 4167 1 11 . 1 1 63 63 ASP HA H 63 4.458 4.458 4.397 0.061 19614 4168 1 11 . 1 1 63 63 ASP C C 63 178.858 178.858 177.140 1.718 19614 4169 1 11 . 1 1 63 63 ASP CA C 63 56.964 56.964 56.912 0.052 19614 4170 1 11 . 1 1 63 63 ASP CB C 63 40.822 40.822 41.179 -0.357 19614 4171 1 11 . 1 1 63 63 ASP H H 63 7.844 7.844 7.753 0.090 19614 4172 1 11 . 1 1 64 64 ALA N N 64 122.425 122.425 120.236 2.189 19614 4173 1 11 . 1 1 64 64 ALA HA H 64 4.086 4.086 4.242 -0.156 19614 4174 1 11 . 1 1 64 64 ALA C C 64 179.354 179.354 179.217 0.137 19614 4175 1 11 . 1 1 64 64 ALA CA C 64 54.396 54.396 54.340 0.056 19614 4176 1 11 . 1 1 64 64 ALA CB C 64 17.785 17.785 19.117 -1.332 19614 4177 1 11 . 1 1 64 64 ALA H H 64 7.869 7.869 7.618 0.251 19614 4178 1 11 . 1 1 65 65 LEU N N 65 116.489 116.489 116.089 0.400 19614 4179 1 11 . 1 1 65 65 LEU HA H 65 4.222 4.222 4.234 -0.012 19614 4180 1 11 . 1 1 65 65 LEU C C 65 176.661 176.661 176.646 0.015 19614 4181 1 11 . 1 1 65 65 LEU CA C 65 54.642 54.642 55.246 -0.604 19614 4182 1 11 . 1 1 65 65 LEU CB C 65 41.957 41.957 42.686 -0.729 19614 4183 1 11 . 1 1 65 65 LEU H H 65 7.669 7.669 7.767 -0.098 19614 4184 1 11 . 1 1 66 66 LYS N N 66 118.229 118.229 117.503 0.726 19614 4185 1 11 . 1 1 66 66 LYS HA H 66 4.058 4.058 4.016 0.042 19614 4186 1 11 . 1 1 66 66 LYS C C 66 176.651 176.651 176.073 0.578 19614 4187 1 11 . 1 1 66 66 LYS CA C 66 57.100 57.100 57.007 0.093 19614 4188 1 11 . 1 1 66 66 LYS CB C 66 30.249 30.249 29.419 0.830 19614 4189 1 11 . 1 1 66 66 LYS H H 66 7.806 7.806 7.805 0.001 19614 4190 1 11 . 1 1 67 67 LYS N N 67 119.380 119.380 120.038 -0.658 19614 4191 1 11 . 1 1 67 67 LYS HA H 67 4.278 4.278 4.162 0.116 19614 4192 1 11 . 1 1 67 67 LYS C C 67 176.163 176.163 176.773 -0.610 19614 4193 1 11 . 1 1 67 67 LYS CA C 67 55.658 55.658 57.579 -1.921 19614 4194 1 11 . 1 1 67 67 LYS CB C 67 33.462 33.462 33.043 0.419 19614 4195 1 11 . 1 1 67 67 LYS H H 67 8.249 8.249 8.338 -0.089 19614 4196 1 11 . 1 1 68 68 ASP N N 68 120.812 120.812 115.509 5.303 19614 4197 1 11 . 1 1 68 68 ASP HA H 68 4.601 4.601 4.645 -0.044 19614 4198 1 11 . 1 1 68 68 ASP C C 68 177.001 177.001 175.195 1.806 19614 4199 1 11 . 1 1 68 68 ASP CA C 68 54.192 54.192 53.585 0.607 19614 4200 1 11 . 1 1 68 68 ASP CB C 68 41.383 41.383 43.104 -1.721 19614 4201 1 11 . 1 1 68 68 ASP H H 68 8.350 8.350 7.729 0.621 19614 4202 1 11 . 1 1 69 69 SER N N 69 119.061 119.061 117.484 1.577 19614 4203 1 11 . 1 1 69 69 SER HA H 69 4.199 4.199 4.440 -0.241 19614 4204 1 11 . 1 1 69 69 SER C C 69 175.643 175.643 175.679 -0.036 19614 4205 1 11 . 1 1 69 69 SER CA C 69 59.636 59.636 59.258 0.378 19614 4206 1 11 . 1 1 69 69 SER CB C 69 63.237 63.237 63.858 -0.622 19614 4207 1 11 . 1 1 69 69 SER H H 69 8.608 8.608 8.630 -0.022 19614 4208 1 11 . 1 1 70 70 SER N N 70 118.325 118.325 117.407 0.918 19614 4209 1 11 . 1 1 70 70 SER HA H 70 4.335 4.335 4.257 0.078 19614 4210 1 11 . 1 1 70 70 SER C C 70 175.275 175.275 175.847 -0.572 19614 4211 1 11 . 1 1 70 70 SER CA C 70 59.700 59.700 61.890 -2.190 19614 4212 1 11 . 1 1 70 70 SER CB C 70 63.243 63.243 63.334 -0.090 19614 4213 1 11 . 1 1 70 70 SER H H 70 8.514 8.514 9.084 -0.570 19614 4214 1 11 . 1 1 71 71 ARG N N 71 121.317 121.317 118.238 3.079 19614 4215 1 11 . 1 1 71 71 ARG HA H 71 4.231 4.231 4.103 0.128 19614 4216 1 11 . 1 1 71 71 ARG C C 71 176.223 176.223 177.107 -0.884 19614 4217 1 11 . 1 1 71 71 ARG CA C 71 56.368 56.368 57.775 -1.407 19614 4218 1 11 . 1 1 71 71 ARG CB C 71 30.148 30.148 29.368 0.780 19614 4219 1 11 . 1 1 71 71 ARG H H 71 7.965 7.965 7.917 0.048 19614 4220 1 11 . 1 1 72 72 HIS N N 72 118.894 118.894 117.592 1.302 19614 4221 1 11 . 1 1 72 72 HIS HA H 72 4.663 4.663 4.462 0.201 19614 4222 1 11 . 1 1 72 72 HIS C C 72 175.122 175.122 177.404 -2.282 19614 4223 1 11 . 1 1 72 72 HIS CA C 72 55.935 55.935 58.718 -2.783 19614 4224 1 11 . 1 1 72 72 HIS CB C 72 29.974 29.974 30.419 -0.445 19614 4225 1 11 . 1 1 72 72 HIS H H 72 8.036 8.036 7.727 0.309 19614 4226 1 11 . 1 1 73 73 SER N N 73 116.302 116.302 114.626 1.676 19614 4227 1 11 . 1 1 73 73 SER HA H 73 4.313 4.313 4.291 0.022 19614 4228 1 11 . 1 1 73 73 SER C C 73 174.559 174.559 174.780 -0.221 19614 4229 1 11 . 1 1 73 73 SER CA C 73 59.297 59.297 60.068 -0.771 19614 4230 1 11 . 1 1 73 73 SER CB C 73 63.522 63.522 63.369 0.153 19614 4231 1 11 . 1 1 73 73 SER H H 73 8.029 8.029 7.803 0.226 19614 4232 1 11 . 1 1 74 74 LYS N N 74 122.545 122.545 120.378 2.167 19614 4233 1 11 . 1 1 74 74 LYS HA H 74 4.336 4.336 4.394 -0.058 19614 4234 1 11 . 1 1 74 74 LYS C C 74 175.929 175.929 175.427 0.502 19614 4235 1 11 . 1 1 74 74 LYS CA C 74 55.918 55.918 54.340 1.578 19614 4236 1 11 . 1 1 74 74 LYS CB C 74 32.143 32.143 32.214 -0.071 19614 4237 1 11 . 1 1 74 74 LYS H H 74 8.394 8.394 7.350 1.044 19614 4238 1 11 . 1 1 75 75 LEU N N 75 123.393 123.393 122.959 0.434 19614 4239 1 11 . 1 1 75 75 LEU HA H 75 4.402 4.402 4.258 0.144 19614 4240 1 11 . 1 1 75 75 LEU C C 75 176.575 176.575 176.527 0.048 19614 4241 1 11 . 1 1 75 75 LEU CA C 75 54.697 54.697 54.776 -0.079 19614 4242 1 11 . 1 1 75 75 LEU CB C 75 43.481 43.481 41.674 1.807 19614 4243 1 11 . 1 1 75 75 LEU H H 75 7.943 7.943 7.215 0.728 19614 4244 1 11 . 1 1 76 76 GLU N N 76 123.357 123.357 124.643 -1.286 19614 4245 1 11 . 1 1 76 76 GLU HA H 76 4.551 4.551 4.429 0.122 19614 4246 1 11 . 1 1 76 76 GLU C C 76 177.445 177.445 176.911 0.534 19614 4247 1 11 . 1 1 76 76 GLU CA C 76 54.962 54.962 55.090 -0.128 19614 4248 1 11 . 1 1 76 76 GLU CB C 76 31.245 31.245 31.290 -0.044 19614 4249 1 11 . 1 1 76 76 GLU H H 76 9.136 9.136 8.343 0.793 19614 4250 1 11 . 1 1 77 77 LYS N N 77 122.655 122.655 123.441 -0.786 19614 4251 1 11 . 1 1 77 77 LYS HA H 77 3.830 3.830 3.896 -0.066 19614 4252 1 11 . 1 1 77 77 LYS C C 77 177.908 177.908 178.078 -0.170 19614 4253 1 11 . 1 1 77 77 LYS CA C 77 61.105 61.105 60.367 0.738 19614 4254 1 11 . 1 1 77 77 LYS CB C 77 32.423 32.423 32.147 0.276 19614 4255 1 11 . 1 1 77 77 LYS H H 77 8.858 8.858 8.809 0.049 19614 4256 1 11 . 1 1 78 78 ALA N N 78 118.008 118.008 119.275 -1.267 19614 4257 1 11 . 1 1 78 78 ALA HA H 78 3.892 3.892 4.086 -0.194 19614 4258 1 11 . 1 1 78 78 ALA C C 78 179.758 179.758 179.717 0.041 19614 4259 1 11 . 1 1 78 78 ALA CA C 78 55.456 55.456 54.849 0.607 19614 4260 1 11 . 1 1 78 78 ALA CB C 78 17.839 17.839 18.114 -0.275 19614 4261 1 11 . 1 1 78 78 ALA H H 78 9.131 9.131 8.387 0.744 19614 4262 1 11 . 1 1 79 79 ASP N N 79 114.744 114.744 119.725 -4.981 19614 4263 1 11 . 1 1 79 79 ASP HA H 79 4.346 4.346 4.494 -0.148 19614 4264 1 11 . 1 1 79 79 ASP C C 79 178.104 178.104 178.656 -0.552 19614 4265 1 11 . 1 1 79 79 ASP CA C 79 57.088 57.088 57.634 -0.546 19614 4266 1 11 . 1 1 79 79 ASP CB C 79 41.728 41.728 41.172 0.556 19614 4267 1 11 . 1 1 79 79 ASP H H 79 7.052 7.052 7.687 -0.635 19614 4268 1 11 . 1 1 80 80 ILE N N 80 119.398 119.398 121.556 -2.158 19614 4269 1 11 . 1 1 80 80 ILE HA H 80 3.592 3.592 3.596 -0.004 19614 4270 1 11 . 1 1 80 80 ILE C C 80 179.567 179.567 178.098 1.469 19614 4271 1 11 . 1 1 80 80 ILE CA C 80 64.201 64.201 65.856 -1.655 19614 4272 1 11 . 1 1 80 80 ILE CB C 80 37.514 37.514 37.874 -0.360 19614 4273 1 11 . 1 1 80 80 ILE H H 80 7.983 7.983 8.363 -0.380 19614 4274 1 11 . 1 1 81 81 LEU N N 81 120.930 120.930 119.323 1.607 19614 4275 1 11 . 1 1 81 81 LEU HA H 81 3.931 3.931 3.879 0.052 19614 4276 1 11 . 1 1 81 81 LEU C C 81 178.312 178.312 179.063 -0.751 19614 4277 1 11 . 1 1 81 81 LEU CA C 81 58.588 58.588 58.212 0.376 19614 4278 1 11 . 1 1 81 81 LEU CB C 81 41.727 41.727 41.254 0.473 19614 4279 1 11 . 1 1 81 81 LEU H H 81 8.171 8.171 8.366 -0.195 19614 4280 1 11 . 1 1 82 82 GLU N N 82 119.314 119.314 119.470 -0.156 19614 4281 1 11 . 1 1 82 82 GLU HA H 82 3.917 3.917 3.947 -0.030 19614 4282 1 11 . 1 1 82 82 GLU C C 82 180.151 180.151 178.891 1.260 19614 4283 1 11 . 1 1 82 82 GLU CA C 82 59.864 59.864 59.337 0.527 19614 4284 1 11 . 1 1 82 82 GLU CB C 82 29.364 29.364 29.661 -0.297 19614 4285 1 11 . 1 1 82 82 GLU H H 82 7.984 7.984 7.708 0.276 19614 4286 1 11 . 1 1 83 83 MET N N 83 118.669 118.669 118.981 -0.312 19614 4287 1 11 . 1 1 83 83 MET HA H 83 4.033 4.033 4.253 -0.220 19614 4288 1 11 . 1 1 83 83 MET C C 83 178.488 178.488 178.409 0.079 19614 4289 1 11 . 1 1 83 83 MET CA C 83 59.083 59.083 58.030 1.053 19614 4290 1 11 . 1 1 83 83 MET CB C 83 33.883 33.883 32.286 1.597 19614 4291 1 11 . 1 1 83 83 MET H H 83 8.639 8.639 8.236 0.403 19614 4292 1 11 . 1 1 84 84 THR N N 84 118.733 118.733 116.707 2.026 19614 4293 1 11 . 1 1 84 84 THR HA H 84 3.853 3.853 4.093 -0.240 19614 4294 1 11 . 1 1 84 84 THR C C 84 175.659 175.659 176.847 -1.188 19614 4295 1 11 . 1 1 84 84 THR CA C 84 68.029 68.029 67.605 0.424 19614 4296 1 11 . 1 1 84 84 THR CB C 84 67.595 67.595 68.447 -0.852 19614 4297 1 11 . 1 1 84 84 THR H H 84 7.946 7.946 7.771 0.175 19614 4298 1 11 . 1 1 85 85 VAL N N 85 122.083 122.083 121.614 0.469 19614 4299 1 11 . 1 1 85 85 VAL HA H 85 3.311 3.311 3.610 -0.299 19614 4300 1 11 . 1 1 85 85 VAL C C 85 177.078 177.078 177.475 -0.397 19614 4301 1 11 . 1 1 85 85 VAL CA C 85 67.381 67.381 66.486 0.895 19614 4302 1 11 . 1 1 85 85 VAL CB C 85 32.168 32.168 31.449 0.719 19614 4303 1 11 . 1 1 85 85 VAL H H 85 8.089 8.089 7.576 0.513 19614 4304 1 11 . 1 1 86 86 LYS N N 86 117.409 117.409 118.940 -1.531 19614 4305 1 11 . 1 1 86 86 LYS HA H 86 3.835 3.835 3.977 -0.142 19614 4306 1 11 . 1 1 86 86 LYS C C 86 178.617 178.617 178.884 -0.267 19614 4307 1 11 . 1 1 86 86 LYS CA C 86 60.014 60.014 59.724 0.290 19614 4308 1 11 . 1 1 86 86 LYS CB C 86 32.336 32.336 32.246 0.090 19614 4309 1 11 . 1 1 86 86 LYS H H 86 7.785 7.785 8.492 -0.707 19614 4310 1 11 . 1 1 87 87 HIS N N 87 118.731 118.731 119.487 -0.756 19614 4311 1 11 . 1 1 87 87 HIS HA H 87 4.513 4.513 4.402 0.111 19614 4312 1 11 . 1 1 87 87 HIS C C 87 177.356 177.356 177.100 0.256 19614 4313 1 11 . 1 1 87 87 HIS CA C 87 59.368 59.368 59.058 0.310 19614 4314 1 11 . 1 1 87 87 HIS CB C 87 32.047 32.047 29.961 2.086 19614 4315 1 11 . 1 1 87 87 HIS H H 87 8.055 8.055 8.341 -0.286 19614 4316 1 11 . 1 1 88 88 LEU N N 88 117.189 117.189 120.821 -3.632 19614 4317 1 11 . 1 1 88 88 LEU C C 88 180.158 180.158 178.494 1.664 19614 4318 1 11 . 1 1 88 88 LEU CA C 88 57.927 57.927 57.841 0.086 19614 4319 1 11 . 1 1 88 88 LEU CB C 88 41.748 41.748 41.581 0.167 19614 4320 1 11 . 1 1 88 88 LEU H H 88 8.450 8.450 7.800 0.650 19614 4321 1 11 . 1 1 89 89 ARG N N 89 119.542 119.542 119.109 0.433 19614 4322 1 11 . 1 1 89 89 ARG HA H 89 3.901 3.901 3.953 -0.052 19614 4323 1 11 . 1 1 89 89 ARG C C 89 178.875 178.875 178.849 0.026 19614 4324 1 11 . 1 1 89 89 ARG CA C 89 59.667 59.667 58.157 1.510 19614 4325 1 11 . 1 1 89 89 ARG CB C 89 29.542 29.542 28.828 0.714 19614 4326 1 11 . 1 1 89 89 ARG H H 89 8.616 8.616 7.847 0.769 19614 4327 1 11 . 1 1 90 90 ASN N N 90 118.676 118.676 118.697 -0.021 19614 4328 1 11 . 1 1 90 90 ASN HA H 90 4.478 4.478 4.457 0.021 19614 4329 1 11 . 1 1 90 90 ASN C C 90 177.824 177.824 177.945 -0.121 19614 4330 1 11 . 1 1 90 90 ASN CA C 90 55.393 55.393 55.753 -0.360 19614 4331 1 11 . 1 1 90 90 ASN CB C 90 37.874 37.874 38.009 -0.135 19614 4332 1 11 . 1 1 90 90 ASN H H 90 7.935 7.935 7.619 0.316 19614 4333 1 11 . 1 1 91 91 LEU N N 91 119.885 119.885 120.686 -0.801 19614 4334 1 11 . 1 1 91 91 LEU HA H 91 4.045 4.045 3.959 0.086 19614 4335 1 11 . 1 1 91 91 LEU C C 91 178.707 178.707 179.454 -0.747 19614 4336 1 11 . 1 1 91 91 LEU CA C 91 56.705 56.705 57.689 -0.984 19614 4337 1 11 . 1 1 91 91 LEU CB C 91 41.918 41.918 41.590 0.328 19614 4338 1 11 . 1 1 91 91 LEU H H 91 7.890 7.890 8.162 -0.272 19614 4339 1 11 . 1 1 92 92 GLN N N 92 118.288 118.288 117.074 1.214 19614 4340 1 11 . 1 1 92 92 GLN HA H 92 4.149 4.149 4.059 0.090 19614 4341 1 11 . 1 1 92 92 GLN C C 92 176.562 176.562 177.568 -1.006 19614 4342 1 11 . 1 1 92 92 GLN CA C 92 57.055 57.055 58.112 -1.057 19614 4343 1 11 . 1 1 92 92 GLN CB C 92 28.937 28.937 28.407 0.530 19614 4344 1 11 . 1 1 92 92 GLN H H 92 7.683 7.683 8.280 -0.597 19614 4345 1 11 . 1 1 93 93 ARG N N 93 119.664 119.664 114.886 4.778 19614 4346 1 11 . 1 1 93 93 ARG HA H 93 4.238 4.238 4.426 -0.188 19614 4347 1 11 . 1 1 93 93 ARG C C 93 175.928 175.928 176.243 -0.315 19614 4348 1 11 . 1 1 93 93 ARG CA C 93 56.467 56.467 56.482 -0.015 19614 4349 1 11 . 1 1 93 93 ARG CB C 93 30.459 30.459 30.101 0.358 19614 4350 1 11 . 1 1 93 93 ARG H H 93 7.786 7.786 7.682 0.104 19614 4351 1 11 . 1 1 94 94 ALA N N 94 124.562 124.562 122.246 2.316 19614 4352 1 11 . 1 1 94 94 ALA HA H 94 4.308 4.308 4.300 0.008 19614 4353 1 11 . 1 1 94 94 ALA C C 94 176.753 176.753 177.546 -0.793 19614 4354 1 11 . 1 1 94 94 ALA CA C 94 52.465 52.465 52.822 -0.357 19614 4355 1 11 . 1 1 94 94 ALA CB C 94 19.023 19.023 19.211 -0.188 19614 4356 1 11 . 1 1 94 94 ALA H H 94 8.017 8.017 7.656 0.361 19614 4357 1 12 . 1 1 27 27 LYS HA H 27 4.626 4.626 4.632 -0.006 19614 4358 1 12 . 1 1 27 27 LYS CA C 27 54.410 54.410 54.790 -0.380 19614 4359 1 12 . 1 1 27 27 LYS CB C 27 32.346 32.346 32.661 -0.315 19614 4360 1 12 . 1 1 28 28 PRO HA H 28 4.402 4.402 4.417 -0.015 19614 4361 1 12 . 1 1 28 28 PRO C C 28 176.815 176.815 175.779 1.036 19614 4362 1 12 . 1 1 28 28 PRO CA C 28 62.876 62.876 62.798 0.078 19614 4363 1 12 . 1 1 28 28 PRO CB C 28 32.162 32.162 32.682 -0.520 19614 4364 1 12 . 1 1 29 29 LYS N N 29 122.449 122.449 122.826 -0.377 19614 4365 1 12 . 1 1 29 29 LYS HA H 29 4.297 4.297 4.485 -0.188 19614 4366 1 12 . 1 1 29 29 LYS C C 29 176.961 176.961 177.964 -1.003 19614 4367 1 12 . 1 1 29 29 LYS CA C 29 56.463 56.463 57.773 -1.310 19614 4368 1 12 . 1 1 29 29 LYS CB C 29 32.816 32.816 32.975 -0.159 19614 4369 1 12 . 1 1 29 29 LYS H H 29 8.586 8.586 8.494 0.092 19614 4370 1 12 . 1 1 30 30 THR N N 30 115.695 115.695 111.965 3.730 19614 4371 1 12 . 1 1 30 30 THR HA H 30 4.293 4.293 4.438 -0.145 19614 4372 1 12 . 1 1 30 30 THR C C 30 174.354 174.354 174.899 -0.545 19614 4373 1 12 . 1 1 30 30 THR CA C 30 61.555 61.555 62.675 -1.119 19614 4374 1 12 . 1 1 30 30 THR CB C 30 69.949 69.949 70.472 -0.523 19614 4375 1 12 . 1 1 30 30 THR H H 30 8.219 8.219 8.375 -0.156 19614 4376 1 12 . 1 1 31 31 ALA N N 31 125.923 125.923 123.156 2.767 19614 4377 1 12 . 1 1 31 31 ALA HA H 31 4.312 4.312 4.639 -0.327 19614 4378 1 12 . 1 1 31 31 ALA C C 31 178.014 178.014 176.152 1.862 19614 4379 1 12 . 1 1 31 31 ALA CA C 31 52.781 52.781 52.101 0.680 19614 4380 1 12 . 1 1 31 31 ALA CB C 31 19.125 19.125 20.120 -0.995 19614 4381 1 12 . 1 1 31 31 ALA H H 31 8.505 8.505 7.474 1.031 19614 4382 1 12 . 1 1 32 32 SER N N 32 115.249 115.249 113.726 1.523 19614 4383 1 12 . 1 1 32 32 SER HA H 32 4.338 4.338 4.436 -0.098 19614 4384 1 12 . 1 1 32 32 SER C C 32 174.783 174.783 175.294 -0.511 19614 4385 1 12 . 1 1 32 32 SER CA C 32 58.633 58.633 59.968 -1.335 19614 4386 1 12 . 1 1 32 32 SER CB C 32 63.475 63.475 63.524 -0.049 19614 4387 1 12 . 1 1 32 32 SER H H 32 8.365 8.365 8.512 -0.147 19614 4388 1 12 . 1 1 33 33 GLU N N 33 122.748 122.748 122.231 0.517 19614 4389 1 12 . 1 1 33 33 GLU HA H 33 4.205 4.205 4.360 -0.155 19614 4390 1 12 . 1 1 33 33 GLU C C 33 176.411 176.411 175.683 0.728 19614 4391 1 12 . 1 1 33 33 GLU CA C 33 56.678 56.678 55.539 1.139 19614 4392 1 12 . 1 1 33 33 GLU CB C 33 30.241 30.241 28.637 1.604 19614 4393 1 12 . 1 1 33 33 GLU H H 33 8.390 8.390 8.172 0.218 19614 4394 1 12 . 1 1 34 34 HIS N N 34 120.453 120.453 124.788 -4.335 19614 4395 1 12 . 1 1 34 34 HIS HA H 34 4.605 4.605 4.822 -0.217 19614 4396 1 12 . 1 1 34 34 HIS C C 34 175.167 175.167 174.438 0.729 19614 4397 1 12 . 1 1 34 34 HIS CA C 34 56.035 56.035 55.493 0.542 19614 4398 1 12 . 1 1 34 34 HIS CB C 34 29.938 29.938 29.911 0.027 19614 4399 1 12 . 1 1 34 34 HIS H H 34 8.431 8.431 8.114 0.317 19614 4400 1 12 . 1 1 35 35 ARG N N 35 122.797 122.797 121.985 0.812 19614 4401 1 12 . 1 1 35 35 ARG HA H 35 4.261 4.261 4.683 -0.422 19614 4402 1 12 . 1 1 35 35 ARG C C 35 176.411 176.411 175.500 0.911 19614 4403 1 12 . 1 1 35 35 ARG CA C 35 56.306 56.306 55.773 0.533 19614 4404 1 12 . 1 1 35 35 ARG CB C 35 30.587 30.587 30.921 -0.334 19614 4405 1 12 . 1 1 35 35 ARG H H 35 8.419 8.419 8.560 -0.141 19614 4406 1 12 . 1 1 36 36 LYS N N 36 122.974 122.974 124.660 -1.686 19614 4407 1 12 . 1 1 36 36 LYS HA H 36 4.288 4.288 4.447 -0.159 19614 4408 1 12 . 1 1 36 36 LYS C C 36 176.738 176.738 175.159 1.579 19614 4409 1 12 . 1 1 36 36 LYS CA C 36 56.514 56.514 56.368 0.146 19614 4410 1 12 . 1 1 36 36 LYS CB C 36 32.857 32.857 34.177 -1.320 19614 4411 1 12 . 1 1 36 36 LYS H H 36 8.482 8.482 8.694 -0.212 19614 4412 1 12 . 1 1 37 37 SER N N 37 117.137 117.137 117.709 -0.572 19614 4413 1 12 . 1 1 37 37 SER HA H 37 4.469 4.469 4.885 -0.415 19614 4414 1 12 . 1 1 37 37 SER C C 37 174.495 174.495 173.352 1.143 19614 4415 1 12 . 1 1 37 37 SER CA C 37 58.115 58.115 57.980 0.135 19614 4416 1 12 . 1 1 37 37 SER CB C 37 63.627 63.627 62.950 0.677 19614 4417 1 12 . 1 1 37 37 SER H H 37 8.410 8.410 8.629 -0.219 19614 4418 1 12 . 1 1 38 38 SER N N 38 118.622 118.622 116.238 2.384 19614 4419 1 12 . 1 1 38 38 SER HA H 38 4.467 4.467 4.653 -0.186 19614 4420 1 12 . 1 1 38 38 SER C C 38 174.332 174.332 172.746 1.586 19614 4421 1 12 . 1 1 38 38 SER CA C 38 58.187 58.187 58.230 -0.043 19614 4422 1 12 . 1 1 38 38 SER CB C 38 63.703 63.703 65.571 -1.868 19614 4423 1 12 . 1 1 38 38 SER H H 38 8.456 8.456 7.911 0.545 19614 4424 1 12 . 1 1 39 39 LYS N N 39 124.176 124.176 121.629 2.547 19614 4425 1 12 . 1 1 39 39 LYS HA H 39 4.478 4.478 4.733 -0.255 19614 4426 1 12 . 1 1 39 39 LYS C C 39 174.904 174.904 175.876 -0.972 19614 4427 1 12 . 1 1 39 39 LYS CA C 39 56.707 56.707 53.418 3.289 19614 4428 1 12 . 1 1 39 39 LYS CB C 39 31.595 31.595 33.047 -1.452 19614 4429 1 12 . 1 1 39 39 LYS H H 39 8.489 8.489 8.464 0.025 19614 4430 1 12 . 1 1 40 40 PRO HA H 40 4.401 4.401 4.211 0.190 19614 4431 1 12 . 1 1 40 40 PRO C C 40 178.173 178.173 178.762 -0.589 19614 4432 1 12 . 1 1 40 40 PRO CA C 40 64.315 64.315 65.799 -1.484 19614 4433 1 12 . 1 1 40 40 PRO CB C 40 31.675 31.675 31.817 -0.141 19614 4434 1 12 . 1 1 41 41 ILE N N 41 120.414 120.414 117.243 3.171 19614 4435 1 12 . 1 1 41 41 ILE HA H 41 3.967 3.967 3.921 0.045 19614 4436 1 12 . 1 1 41 41 ILE C C 41 177.393 177.393 177.514 -0.121 19614 4437 1 12 . 1 1 41 41 ILE CA C 41 62.575 62.575 64.505 -1.930 19614 4438 1 12 . 1 1 41 41 ILE CB C 41 37.900 37.900 37.830 0.070 19614 4439 1 12 . 1 1 41 41 ILE H H 41 8.011 8.011 7.855 0.156 19614 4440 1 12 . 1 1 42 42 MET N N 42 122.411 122.411 118.226 4.185 19614 4441 1 12 . 1 1 42 42 MET HA H 42 4.330 4.330 4.249 0.081 19614 4442 1 12 . 1 1 42 42 MET C C 42 178.050 178.050 178.601 -0.551 19614 4443 1 12 . 1 1 42 42 MET CA C 42 56.959 56.959 57.759 -0.800 19614 4444 1 12 . 1 1 42 42 MET CB C 42 32.024 32.024 31.184 0.840 19614 4445 1 12 . 1 1 42 42 MET H H 42 8.335 8.335 7.953 0.382 19614 4446 1 12 . 1 1 43 43 GLU N N 43 121.832 121.832 118.979 2.853 19614 4447 1 12 . 1 1 43 43 GLU HA H 43 4.193 4.193 4.057 0.136 19614 4448 1 12 . 1 1 43 43 GLU C C 43 177.835 177.835 178.859 -1.024 19614 4449 1 12 . 1 1 43 43 GLU CA C 43 58.157 58.157 59.231 -1.074 19614 4450 1 12 . 1 1 43 43 GLU CB C 43 29.543 29.543 28.907 0.636 19614 4451 1 12 . 1 1 43 43 GLU H H 43 8.397 8.397 8.979 -0.582 19614 4452 1 12 . 1 1 44 44 LYS N N 44 121.347 121.347 121.162 0.185 19614 4453 1 12 . 1 1 44 44 LYS HA H 44 4.083 4.083 4.095 -0.012 19614 4454 1 12 . 1 1 44 44 LYS C C 44 178.745 178.745 179.031 -0.286 19614 4455 1 12 . 1 1 44 44 LYS CA C 44 58.846 58.846 58.487 0.359 19614 4456 1 12 . 1 1 44 44 LYS CB C 44 32.493 32.493 32.252 0.241 19614 4457 1 12 . 1 1 44 44 LYS H H 44 8.124 8.124 7.703 0.421 19614 4458 1 12 . 1 1 45 45 ARG N N 45 120.603 120.603 119.113 1.490 19614 4459 1 12 . 1 1 45 45 ARG HA H 45 4.247 4.247 4.013 0.234 19614 4460 1 12 . 1 1 45 45 ARG C C 45 178.025 178.025 178.665 -0.640 19614 4461 1 12 . 1 1 45 45 ARG CA C 45 58.201 58.201 59.602 -1.401 19614 4462 1 12 . 1 1 45 45 ARG CB C 45 29.888 29.888 30.229 -0.341 19614 4463 1 12 . 1 1 45 45 ARG H H 45 8.219 8.219 7.906 0.313 19614 4464 1 12 . 1 1 46 46 ARG N N 46 121.714 121.714 119.898 1.816 19614 4465 1 12 . 1 1 46 46 ARG HA H 46 3.908 3.908 3.951 -0.043 19614 4466 1 12 . 1 1 46 46 ARG C C 46 177.855 177.855 178.416 -0.561 19614 4467 1 12 . 1 1 46 46 ARG CA C 46 59.726 59.726 59.649 0.077 19614 4468 1 12 . 1 1 46 46 ARG CB C 46 30.215 30.215 30.271 -0.056 19614 4469 1 12 . 1 1 46 46 ARG H H 46 8.245 8.245 8.575 -0.330 19614 4470 1 12 . 1 1 47 47 ARG N N 47 118.469 118.469 118.065 0.404 19614 4471 1 12 . 1 1 47 47 ARG HA H 47 3.961 3.961 4.065 -0.104 19614 4472 1 12 . 1 1 47 47 ARG C C 47 177.899 177.899 178.299 -0.400 19614 4473 1 12 . 1 1 47 47 ARG CA C 47 58.541 58.541 59.119 -0.578 19614 4474 1 12 . 1 1 47 47 ARG CB C 47 29.704 29.704 29.497 0.207 19614 4475 1 12 . 1 1 47 47 ARG H H 47 8.233 8.233 8.358 -0.125 19614 4476 1 12 . 1 1 48 48 ALA N N 48 121.720 121.720 122.947 -1.227 19614 4477 1 12 . 1 1 48 48 ALA HA H 48 4.205 4.205 4.003 0.202 19614 4478 1 12 . 1 1 48 48 ALA C C 48 180.284 180.284 179.662 0.622 19614 4479 1 12 . 1 1 48 48 ALA CA C 48 54.815 54.815 55.134 -0.319 19614 4480 1 12 . 1 1 48 48 ALA CB C 48 18.025 18.025 18.433 -0.408 19614 4481 1 12 . 1 1 48 48 ALA H H 48 7.962 7.962 7.808 0.154 19614 4482 1 12 . 1 1 49 49 ARG N N 49 119.603 119.603 117.941 1.662 19614 4483 1 12 . 1 1 49 49 ARG C C 49 179.589 179.589 178.979 0.610 19614 4484 1 12 . 1 1 49 49 ARG CA C 49 59.291 59.291 58.335 0.956 19614 4485 1 12 . 1 1 49 49 ARG CB C 49 30.993 30.993 29.646 1.347 19614 4486 1 12 . 1 1 49 49 ARG H H 49 8.103 8.103 7.727 0.376 19614 4487 1 12 . 1 1 50 50 ILE N N 50 121.545 121.545 121.744 -0.199 19614 4488 1 12 . 1 1 50 50 ILE HA H 50 3.662 3.662 3.564 0.098 19614 4489 1 12 . 1 1 50 50 ILE C C 50 177.372 177.372 177.920 -0.548 19614 4490 1 12 . 1 1 50 50 ILE CA C 50 65.302 65.302 65.744 -0.442 19614 4491 1 12 . 1 1 50 50 ILE CB C 50 38.216 38.216 37.423 0.793 19614 4492 1 12 . 1 1 50 50 ILE H H 50 8.145 8.145 8.749 -0.604 19614 4493 1 12 . 1 1 51 51 ASN N N 51 117.894 117.894 118.110 -0.216 19614 4494 1 12 . 1 1 51 51 ASN HA H 51 4.407 4.407 4.422 -0.015 19614 4495 1 12 . 1 1 51 51 ASN C C 51 178.725 178.725 178.179 0.546 19614 4496 1 12 . 1 1 51 51 ASN CA C 51 56.205 56.205 56.215 -0.010 19614 4497 1 12 . 1 1 51 51 ASN CB C 51 37.594 37.594 37.702 -0.108 19614 4498 1 12 . 1 1 51 51 ASN H H 51 8.431 8.431 8.492 -0.061 19614 4499 1 12 . 1 1 52 52 GLU N N 52 121.612 121.612 120.415 1.197 19614 4500 1 12 . 1 1 52 52 GLU HA H 52 4.205 4.205 4.088 0.117 19614 4501 1 12 . 1 1 52 52 GLU C C 52 179.243 179.243 179.338 -0.095 19614 4502 1 12 . 1 1 52 52 GLU CA C 52 59.291 59.291 59.372 -0.081 19614 4503 1 12 . 1 1 52 52 GLU CB C 52 29.101 29.101 29.059 0.042 19614 4504 1 12 . 1 1 52 52 GLU H H 52 8.299 8.299 8.658 -0.359 19614 4505 1 12 . 1 1 53 53 SER N N 53 116.604 116.604 116.394 0.210 19614 4506 1 12 . 1 1 53 53 SER C C 53 176.283 176.283 176.751 -0.468 19614 4507 1 12 . 1 1 53 53 SER CA C 53 63.032 63.032 61.897 1.135 19614 4508 1 12 . 1 1 53 53 SER H H 53 8.254 8.254 7.911 0.343 19614 4509 1 12 . 1 1 54 54 LEU N N 54 121.925 121.925 123.028 -1.103 19614 4510 1 12 . 1 1 54 54 LEU HA H 54 3.962 3.962 4.021 -0.059 19614 4511 1 12 . 1 1 54 54 LEU C C 54 178.897 178.897 177.904 0.993 19614 4512 1 12 . 1 1 54 54 LEU CA C 54 58.116 58.116 57.856 0.260 19614 4513 1 12 . 1 1 54 54 LEU CB C 54 41.576 41.576 41.901 -0.325 19614 4514 1 12 . 1 1 54 54 LEU H H 54 8.693 8.693 8.546 0.147 19614 4515 1 12 . 1 1 55 55 SER N N 55 114.515 114.515 115.304 -0.789 19614 4516 1 12 . 1 1 55 55 SER HA H 55 4.181 4.181 4.046 0.135 19614 4517 1 12 . 1 1 55 55 SER C C 55 177.381 177.381 176.729 0.652 19614 4518 1 12 . 1 1 55 55 SER CA C 55 61.568 61.568 62.435 -0.867 19614 4519 1 12 . 1 1 55 55 SER CB C 55 62.527 62.527 63.292 -0.765 19614 4520 1 12 . 1 1 55 55 SER H H 55 7.823 7.823 8.447 -0.624 19614 4521 1 12 . 1 1 56 56 GLN N N 56 120.605 120.605 120.862 -0.257 19614 4522 1 12 . 1 1 56 56 GLN HA H 56 4.087 4.087 4.104 -0.017 19614 4523 1 12 . 1 1 56 56 GLN C C 56 178.904 178.904 178.136 0.768 19614 4524 1 12 . 1 1 56 56 GLN CA C 56 58.679 58.679 58.382 0.297 19614 4525 1 12 . 1 1 56 56 GLN CB C 56 28.669 28.669 28.246 0.423 19614 4526 1 12 . 1 1 56 56 GLN H H 56 7.886 7.886 7.915 -0.029 19614 4527 1 12 . 1 1 57 57 LEU N N 57 120.488 120.488 122.776 -2.288 19614 4528 1 12 . 1 1 57 57 LEU HA H 57 3.953 3.953 3.921 0.032 19614 4529 1 12 . 1 1 57 57 LEU C C 57 177.406 177.406 178.326 -0.920 19614 4530 1 12 . 1 1 57 57 LEU CA C 57 57.957 57.957 58.335 -0.378 19614 4531 1 12 . 1 1 57 57 LEU CB C 57 41.486 41.486 42.044 -0.558 19614 4532 1 12 . 1 1 57 57 LEU H H 57 8.845 8.845 8.062 0.783 19614 4533 1 12 . 1 1 58 58 LYS N N 58 118.053 118.053 116.603 1.450 19614 4534 1 12 . 1 1 58 58 LYS C C 58 176.891 176.891 179.196 -2.305 19614 4535 1 12 . 1 1 58 58 LYS CA C 58 60.535 60.535 59.139 1.396 19614 4536 1 12 . 1 1 58 58 LYS CB C 58 31.903 31.903 31.787 0.116 19614 4537 1 12 . 1 1 58 58 LYS H H 58 8.145 8.145 8.147 -0.002 19614 4538 1 12 . 1 1 59 59 THR N N 59 112.948 112.948 118.069 -5.121 19614 4539 1 12 . 1 1 59 59 THR HA H 59 3.812 3.812 4.095 -0.283 19614 4540 1 12 . 1 1 59 59 THR C C 59 176.273 176.273 176.595 -0.322 19614 4541 1 12 . 1 1 59 59 THR CA C 59 66.367 66.367 66.257 0.110 19614 4542 1 12 . 1 1 59 59 THR CB C 59 68.902 68.902 68.806 0.096 19614 4543 1 12 . 1 1 59 59 THR H H 59 7.393 7.393 7.609 -0.216 19614 4544 1 12 . 1 1 60 60 LEU N N 60 120.435 120.435 121.823 -1.388 19614 4545 1 12 . 1 1 60 60 LEU HA H 60 4.066 4.066 4.109 -0.043 19614 4546 1 12 . 1 1 60 60 LEU C C 60 179.994 179.994 179.262 0.732 19614 4547 1 12 . 1 1 60 60 LEU CA C 60 58.096 58.096 57.664 0.431 19614 4548 1 12 . 1 1 60 60 LEU CB C 60 43.107 43.107 40.808 2.299 19614 4549 1 12 . 1 1 60 60 LEU H H 60 8.005 8.005 8.533 -0.528 19614 4550 1 12 . 1 1 61 61 ILE N N 61 120.041 120.041 119.824 0.217 19614 4551 1 12 . 1 1 61 61 ILE HA H 61 3.934 3.934 3.673 0.261 19614 4552 1 12 . 1 1 61 61 ILE C C 61 176.957 176.957 177.924 -0.967 19614 4553 1 12 . 1 1 61 61 ILE CA C 61 60.979 60.979 64.152 -3.173 19614 4554 1 12 . 1 1 61 61 ILE CB C 61 37.229 37.229 36.875 0.354 19614 4555 1 12 . 1 1 61 61 ILE H H 61 8.847 8.847 8.192 0.655 19614 4556 1 12 . 1 1 62 62 LEU N N 62 121.236 121.236 120.326 0.910 19614 4557 1 12 . 1 1 62 62 LEU HA H 62 3.909 3.909 4.033 -0.124 19614 4558 1 12 . 1 1 62 62 LEU C C 62 179.562 179.562 178.566 0.996 19614 4559 1 12 . 1 1 62 62 LEU CA C 62 58.035 58.035 57.443 0.592 19614 4560 1 12 . 1 1 62 62 LEU CB C 62 40.219 40.219 40.984 -0.765 19614 4561 1 12 . 1 1 62 62 LEU H H 62 7.944 7.944 7.771 0.173 19614 4562 1 12 . 1 1 63 63 ASP N N 63 117.983 117.983 119.561 -1.578 19614 4563 1 12 . 1 1 63 63 ASP HA H 63 4.458 4.458 4.426 0.032 19614 4564 1 12 . 1 1 63 63 ASP C C 63 178.858 178.858 177.098 1.760 19614 4565 1 12 . 1 1 63 63 ASP CA C 63 56.964 56.964 56.998 -0.034 19614 4566 1 12 . 1 1 63 63 ASP CB C 63 40.822 40.822 41.307 -0.485 19614 4567 1 12 . 1 1 63 63 ASP H H 63 7.844 7.844 8.236 -0.392 19614 4568 1 12 . 1 1 64 64 ALA N N 64 122.425 122.425 119.484 2.941 19614 4569 1 12 . 1 1 64 64 ALA HA H 64 4.086 4.086 4.305 -0.219 19614 4570 1 12 . 1 1 64 64 ALA C C 64 179.354 179.354 179.272 0.082 19614 4571 1 12 . 1 1 64 64 ALA CA C 64 54.396 54.396 54.230 0.166 19614 4572 1 12 . 1 1 64 64 ALA CB C 64 17.785 17.785 19.473 -1.688 19614 4573 1 12 . 1 1 64 64 ALA H H 64 7.869 7.869 7.902 -0.033 19614 4574 1 12 . 1 1 65 65 LEU N N 65 116.489 116.489 115.538 0.951 19614 4575 1 12 . 1 1 65 65 LEU HA H 65 4.222 4.222 4.287 -0.065 19614 4576 1 12 . 1 1 65 65 LEU C C 65 176.661 176.661 176.546 0.115 19614 4577 1 12 . 1 1 65 65 LEU CA C 65 54.642 54.642 54.667 -0.025 19614 4578 1 12 . 1 1 65 65 LEU CB C 65 41.957 41.957 42.584 -0.627 19614 4579 1 12 . 1 1 65 65 LEU H H 65 7.669 7.669 7.431 0.238 19614 4580 1 12 . 1 1 66 66 LYS N N 66 118.229 118.229 117.487 0.742 19614 4581 1 12 . 1 1 66 66 LYS HA H 66 4.058 4.058 4.104 -0.046 19614 4582 1 12 . 1 1 66 66 LYS C C 66 176.651 176.651 176.127 0.524 19614 4583 1 12 . 1 1 66 66 LYS CA C 66 57.100 57.100 56.958 0.142 19614 4584 1 12 . 1 1 66 66 LYS CB C 66 30.249 30.249 29.717 0.532 19614 4585 1 12 . 1 1 66 66 LYS H H 66 7.806 7.806 7.736 0.070 19614 4586 1 12 . 1 1 67 67 LYS N N 67 119.380 119.380 119.618 -0.238 19614 4587 1 12 . 1 1 67 67 LYS HA H 67 4.278 4.278 4.136 0.142 19614 4588 1 12 . 1 1 67 67 LYS C C 67 176.163 176.163 176.518 -0.355 19614 4589 1 12 . 1 1 67 67 LYS CA C 67 55.658 55.658 57.996 -2.338 19614 4590 1 12 . 1 1 67 67 LYS CB C 67 33.462 33.462 33.111 0.351 19614 4591 1 12 . 1 1 67 67 LYS H H 67 8.249 8.249 8.212 0.037 19614 4592 1 12 . 1 1 68 68 ASP N N 68 120.812 120.812 114.473 6.339 19614 4593 1 12 . 1 1 68 68 ASP HA H 68 4.601 4.601 4.709 -0.108 19614 4594 1 12 . 1 1 68 68 ASP C C 68 177.001 177.001 175.525 1.476 19614 4595 1 12 . 1 1 68 68 ASP CA C 68 54.192 54.192 53.717 0.475 19614 4596 1 12 . 1 1 68 68 ASP CB C 68 41.383 41.383 43.053 -1.670 19614 4597 1 12 . 1 1 68 68 ASP H H 68 8.350 8.350 7.600 0.750 19614 4598 1 12 . 1 1 69 69 SER N N 69 119.061 119.061 117.007 2.054 19614 4599 1 12 . 1 1 69 69 SER HA H 69 4.199 4.199 4.390 -0.191 19614 4600 1 12 . 1 1 69 69 SER C C 69 175.643 175.643 175.989 -0.346 19614 4601 1 12 . 1 1 69 69 SER CA C 69 59.636 59.636 59.773 -0.137 19614 4602 1 12 . 1 1 69 69 SER CB C 69 63.237 63.237 63.776 -0.539 19614 4603 1 12 . 1 1 69 69 SER H H 69 8.608 8.608 8.658 -0.050 19614 4604 1 12 . 1 1 70 70 SER N N 70 118.325 118.325 118.301 0.024 19614 4605 1 12 . 1 1 70 70 SER HA H 70 4.335 4.335 4.244 0.091 19614 4606 1 12 . 1 1 70 70 SER C C 70 175.275 175.275 176.188 -0.913 19614 4607 1 12 . 1 1 70 70 SER CA C 70 59.700 59.700 62.011 -2.311 19614 4608 1 12 . 1 1 70 70 SER CB C 70 63.243 63.243 63.184 0.059 19614 4609 1 12 . 1 1 70 70 SER H H 70 8.514 8.514 9.005 -0.491 19614 4610 1 12 . 1 1 71 71 ARG N N 71 121.317 121.317 118.971 2.346 19614 4611 1 12 . 1 1 71 71 ARG HA H 71 4.231 4.231 4.325 -0.094 19614 4612 1 12 . 1 1 71 71 ARG C C 71 176.223 176.223 178.416 -2.193 19614 4613 1 12 . 1 1 71 71 ARG CA C 71 56.368 56.368 57.837 -1.469 19614 4614 1 12 . 1 1 71 71 ARG CB C 71 30.148 30.148 28.911 1.237 19614 4615 1 12 . 1 1 71 71 ARG H H 71 7.965 7.965 8.529 -0.564 19614 4616 1 12 . 1 1 72 72 HIS N N 72 118.894 118.894 121.357 -2.463 19614 4617 1 12 . 1 1 72 72 HIS HA H 72 4.663 4.663 4.338 0.325 19614 4618 1 12 . 1 1 72 72 HIS C C 72 175.122 175.122 176.694 -1.572 19614 4619 1 12 . 1 1 72 72 HIS CA C 72 55.935 55.935 59.392 -3.458 19614 4620 1 12 . 1 1 72 72 HIS CB C 72 29.974 29.974 29.616 0.358 19614 4621 1 12 . 1 1 72 72 HIS H H 72 8.036 8.036 7.917 0.119 19614 4622 1 12 . 1 1 73 73 SER N N 73 116.302 116.302 114.322 1.980 19614 4623 1 12 . 1 1 73 73 SER HA H 73 4.313 4.313 4.414 -0.101 19614 4624 1 12 . 1 1 73 73 SER C C 73 174.559 174.559 174.319 0.240 19614 4625 1 12 . 1 1 73 73 SER CA C 73 59.297 59.297 59.483 -0.186 19614 4626 1 12 . 1 1 73 73 SER CB C 73 63.522 63.522 62.884 0.638 19614 4627 1 12 . 1 1 73 73 SER H H 73 8.029 8.029 7.985 0.044 19614 4628 1 12 . 1 1 74 74 LYS N N 74 122.545 122.545 121.160 1.385 19614 4629 1 12 . 1 1 74 74 LYS HA H 74 4.336 4.336 4.452 -0.116 19614 4630 1 12 . 1 1 74 74 LYS C C 74 175.929 175.929 175.232 0.697 19614 4631 1 12 . 1 1 74 74 LYS CA C 74 55.918 55.918 55.134 0.784 19614 4632 1 12 . 1 1 74 74 LYS CB C 74 32.143 32.143 33.108 -0.965 19614 4633 1 12 . 1 1 74 74 LYS H H 74 8.394 8.394 7.577 0.817 19614 4634 1 12 . 1 1 75 75 LEU N N 75 123.393 123.393 122.336 1.057 19614 4635 1 12 . 1 1 75 75 LEU HA H 75 4.402 4.402 4.312 0.090 19614 4636 1 12 . 1 1 75 75 LEU C C 75 176.575 176.575 176.688 -0.113 19614 4637 1 12 . 1 1 75 75 LEU CA C 75 54.697 54.697 54.679 0.018 19614 4638 1 12 . 1 1 75 75 LEU CB C 75 43.481 43.481 42.666 0.815 19614 4639 1 12 . 1 1 75 75 LEU H H 75 7.943 7.943 7.397 0.546 19614 4640 1 12 . 1 1 76 76 GLU N N 76 123.357 123.357 123.338 0.019 19614 4641 1 12 . 1 1 76 76 GLU HA H 76 4.551 4.551 4.397 0.154 19614 4642 1 12 . 1 1 76 76 GLU C C 76 177.445 177.445 176.709 0.736 19614 4643 1 12 . 1 1 76 76 GLU CA C 76 54.962 54.962 55.567 -0.605 19614 4644 1 12 . 1 1 76 76 GLU CB C 76 31.245 31.245 30.637 0.608 19614 4645 1 12 . 1 1 76 76 GLU H H 76 9.136 9.136 8.416 0.720 19614 4646 1 12 . 1 1 77 77 LYS N N 77 122.655 122.655 122.797 -0.142 19614 4647 1 12 . 1 1 77 77 LYS HA H 77 3.830 3.830 3.913 -0.083 19614 4648 1 12 . 1 1 77 77 LYS C C 77 177.908 177.908 178.432 -0.524 19614 4649 1 12 . 1 1 77 77 LYS CA C 77 61.105 61.105 59.983 1.122 19614 4650 1 12 . 1 1 77 77 LYS CB C 77 32.423 32.423 32.111 0.312 19614 4651 1 12 . 1 1 77 77 LYS H H 77 8.858 8.858 8.739 0.119 19614 4652 1 12 . 1 1 78 78 ALA N N 78 118.008 118.008 119.556 -1.548 19614 4653 1 12 . 1 1 78 78 ALA HA H 78 3.892 3.892 4.109 -0.217 19614 4654 1 12 . 1 1 78 78 ALA C C 78 179.758 179.758 179.737 0.021 19614 4655 1 12 . 1 1 78 78 ALA CA C 78 55.456 55.456 54.905 0.551 19614 4656 1 12 . 1 1 78 78 ALA CB C 78 17.839 17.839 18.039 -0.200 19614 4657 1 12 . 1 1 78 78 ALA H H 78 9.131 9.131 8.362 0.769 19614 4658 1 12 . 1 1 79 79 ASP N N 79 114.744 114.744 118.413 -3.669 19614 4659 1 12 . 1 1 79 79 ASP HA H 79 4.346 4.346 4.502 -0.156 19614 4660 1 12 . 1 1 79 79 ASP C C 79 178.104 178.104 178.446 -0.342 19614 4661 1 12 . 1 1 79 79 ASP CA C 79 57.088 57.088 57.050 0.038 19614 4662 1 12 . 1 1 79 79 ASP CB C 79 41.728 41.728 41.088 0.640 19614 4663 1 12 . 1 1 79 79 ASP H H 79 7.052 7.052 7.931 -0.879 19614 4664 1 12 . 1 1 80 80 ILE N N 80 119.398 119.398 121.407 -2.009 19614 4665 1 12 . 1 1 80 80 ILE HA H 80 3.592 3.592 3.609 -0.017 19614 4666 1 12 . 1 1 80 80 ILE C C 80 179.567 179.567 177.819 1.748 19614 4667 1 12 . 1 1 80 80 ILE CA C 80 64.201 64.201 65.962 -1.761 19614 4668 1 12 . 1 1 80 80 ILE CB C 80 37.514 37.514 38.065 -0.551 19614 4669 1 12 . 1 1 80 80 ILE H H 80 7.983 7.983 8.045 -0.062 19614 4670 1 12 . 1 1 81 81 LEU N N 81 120.930 120.930 119.731 1.199 19614 4671 1 12 . 1 1 81 81 LEU HA H 81 3.931 3.931 3.859 0.072 19614 4672 1 12 . 1 1 81 81 LEU C C 81 178.312 178.312 179.006 -0.694 19614 4673 1 12 . 1 1 81 81 LEU CA C 81 58.588 58.588 58.331 0.257 19614 4674 1 12 . 1 1 81 81 LEU CB C 81 41.727 41.727 41.129 0.598 19614 4675 1 12 . 1 1 81 81 LEU H H 81 8.171 8.171 8.195 -0.024 19614 4676 1 12 . 1 1 82 82 GLU N N 82 119.314 119.314 119.632 -0.318 19614 4677 1 12 . 1 1 82 82 GLU HA H 82 3.917 3.917 3.928 -0.011 19614 4678 1 12 . 1 1 82 82 GLU C C 82 180.151 180.151 178.860 1.291 19614 4679 1 12 . 1 1 82 82 GLU CA C 82 59.864 59.864 59.513 0.351 19614 4680 1 12 . 1 1 82 82 GLU CB C 82 29.364 29.364 29.681 -0.317 19614 4681 1 12 . 1 1 82 82 GLU H H 82 7.984 7.984 8.064 -0.080 19614 4682 1 12 . 1 1 83 83 MET N N 83 118.669 118.669 119.522 -0.853 19614 4683 1 12 . 1 1 83 83 MET HA H 83 4.033 4.033 4.294 -0.261 19614 4684 1 12 . 1 1 83 83 MET C C 83 178.488 178.488 178.420 0.068 19614 4685 1 12 . 1 1 83 83 MET CA C 83 59.083 59.083 58.304 0.779 19614 4686 1 12 . 1 1 83 83 MET CB C 83 33.883 33.883 32.370 1.513 19614 4687 1 12 . 1 1 83 83 MET H H 83 8.639 8.639 8.071 0.568 19614 4688 1 12 . 1 1 84 84 THR N N 84 118.733 118.733 117.010 1.723 19614 4689 1 12 . 1 1 84 84 THR HA H 84 3.853 3.853 3.993 -0.140 19614 4690 1 12 . 1 1 84 84 THR C C 84 175.659 175.659 176.709 -1.050 19614 4691 1 12 . 1 1 84 84 THR CA C 84 68.029 68.029 67.160 0.869 19614 4692 1 12 . 1 1 84 84 THR CB C 84 67.595 67.595 68.702 -1.107 19614 4693 1 12 . 1 1 84 84 THR H H 84 7.946 7.946 7.825 0.121 19614 4694 1 12 . 1 1 85 85 VAL N N 85 122.083 122.083 122.282 -0.199 19614 4695 1 12 . 1 1 85 85 VAL HA H 85 3.311 3.311 3.565 -0.254 19614 4696 1 12 . 1 1 85 85 VAL C C 85 177.078 177.078 177.497 -0.419 19614 4697 1 12 . 1 1 85 85 VAL CA C 85 67.381 67.381 66.797 0.583 19614 4698 1 12 . 1 1 85 85 VAL CB C 85 32.168 32.168 31.512 0.656 19614 4699 1 12 . 1 1 85 85 VAL H H 85 8.089 8.089 7.829 0.260 19614 4700 1 12 . 1 1 86 86 LYS N N 86 117.409 117.409 118.810 -1.401 19614 4701 1 12 . 1 1 86 86 LYS HA H 86 3.835 3.835 3.889 -0.054 19614 4702 1 12 . 1 1 86 86 LYS C C 86 178.617 178.617 179.250 -0.633 19614 4703 1 12 . 1 1 86 86 LYS CA C 86 60.014 60.014 59.817 0.197 19614 4704 1 12 . 1 1 86 86 LYS CB C 86 32.336 32.336 32.137 0.199 19614 4705 1 12 . 1 1 86 86 LYS H H 86 7.785 7.785 8.505 -0.720 19614 4706 1 12 . 1 1 87 87 HIS N N 87 118.731 118.731 117.606 1.125 19614 4707 1 12 . 1 1 87 87 HIS HA H 87 4.513 4.513 4.491 0.022 19614 4708 1 12 . 1 1 87 87 HIS C C 87 177.356 177.356 177.611 -0.255 19614 4709 1 12 . 1 1 87 87 HIS CA C 87 59.368 59.368 59.671 -0.303 19614 4710 1 12 . 1 1 87 87 HIS CB C 87 32.047 32.047 30.269 1.778 19614 4711 1 12 . 1 1 87 87 HIS H H 87 8.055 8.055 8.377 -0.322 19614 4712 1 12 . 1 1 88 88 LEU N N 88 117.189 117.189 119.487 -2.298 19614 4713 1 12 . 1 1 88 88 LEU C C 88 180.158 180.158 178.624 1.534 19614 4714 1 12 . 1 1 88 88 LEU CA C 88 57.927 57.927 58.050 -0.123 19614 4715 1 12 . 1 1 88 88 LEU CB C 88 41.748 41.748 41.070 0.678 19614 4716 1 12 . 1 1 88 88 LEU H H 88 8.450 8.450 7.945 0.505 19614 4717 1 12 . 1 1 89 89 ARG N N 89 119.542 119.542 120.159 -0.617 19614 4718 1 12 . 1 1 89 89 ARG HA H 89 3.901 3.901 3.994 -0.093 19614 4719 1 12 . 1 1 89 89 ARG C C 89 178.875 178.875 178.786 0.089 19614 4720 1 12 . 1 1 89 89 ARG CA C 89 59.667 59.667 58.111 1.556 19614 4721 1 12 . 1 1 89 89 ARG CB C 89 29.542 29.542 28.678 0.864 19614 4722 1 12 . 1 1 89 89 ARG H H 89 8.616 8.616 7.990 0.626 19614 4723 1 12 . 1 1 90 90 ASN N N 90 118.676 118.676 119.008 -0.332 19614 4724 1 12 . 1 1 90 90 ASN HA H 90 4.478 4.478 4.459 0.019 19614 4725 1 12 . 1 1 90 90 ASN C C 90 177.824 177.824 178.390 -0.566 19614 4726 1 12 . 1 1 90 90 ASN CA C 90 55.393 55.393 55.745 -0.352 19614 4727 1 12 . 1 1 90 90 ASN CB C 90 37.874 37.874 38.023 -0.149 19614 4728 1 12 . 1 1 90 90 ASN H H 90 7.935 7.935 7.758 0.177 19614 4729 1 12 . 1 1 91 91 LEU N N 91 119.885 119.885 120.515 -0.630 19614 4730 1 12 . 1 1 91 91 LEU HA H 91 4.045 4.045 4.073 -0.028 19614 4731 1 12 . 1 1 91 91 LEU C C 91 178.707 178.707 179.637 -0.930 19614 4732 1 12 . 1 1 91 91 LEU CA C 91 56.705 56.705 57.556 -0.850 19614 4733 1 12 . 1 1 91 91 LEU CB C 91 41.918 41.918 41.694 0.224 19614 4734 1 12 . 1 1 91 91 LEU H H 91 7.890 7.890 8.482 -0.592 19614 4735 1 12 . 1 1 92 92 GLN N N 92 118.288 118.288 119.330 -1.042 19614 4736 1 12 . 1 1 92 92 GLN HA H 92 4.149 4.149 4.126 0.023 19614 4737 1 12 . 1 1 92 92 GLN C C 92 176.562 176.562 177.555 -0.993 19614 4738 1 12 . 1 1 92 92 GLN CA C 92 57.055 57.055 58.483 -1.428 19614 4739 1 12 . 1 1 92 92 GLN CB C 92 28.937 28.937 28.844 0.093 19614 4740 1 12 . 1 1 92 92 GLN H H 92 7.683 7.683 8.157 -0.474 19614 4741 1 12 . 1 1 93 93 ARG N N 93 119.664 119.664 116.035 3.629 19614 4742 1 12 . 1 1 93 93 ARG HA H 93 4.238 4.238 4.561 -0.323 19614 4743 1 12 . 1 1 93 93 ARG C C 93 175.928 175.928 176.154 -0.226 19614 4744 1 12 . 1 1 93 93 ARG CA C 93 56.467 56.467 54.327 2.140 19614 4745 1 12 . 1 1 93 93 ARG CB C 93 30.459 30.459 29.237 1.222 19614 4746 1 12 . 1 1 93 93 ARG H H 93 7.786 7.786 7.756 0.030 19614 4747 1 12 . 1 1 94 94 ALA N N 94 124.562 124.562 124.097 0.465 19614 4748 1 12 . 1 1 94 94 ALA HA H 94 4.308 4.308 4.379 -0.071 19614 4749 1 12 . 1 1 94 94 ALA C C 94 176.753 176.753 176.803 -0.050 19614 4750 1 12 . 1 1 94 94 ALA CA C 94 52.465 52.465 52.075 0.390 19614 4751 1 12 . 1 1 94 94 ALA CB C 94 19.023 19.023 18.062 0.961 19614 4752 1 12 . 1 1 94 94 ALA H H 94 8.017 8.017 7.624 0.393 19614 4753 1 13 . 1 1 27 27 LYS HA H 27 4.626 4.626 4.277 0.349 19614 4754 1 13 . 1 1 27 27 LYS CA C 27 54.410 54.410 56.140 -1.730 19614 4755 1 13 . 1 1 27 27 LYS CB C 27 32.346 32.346 31.389 0.957 19614 4756 1 13 . 1 1 28 28 PRO HA H 28 4.402 4.402 4.480 -0.078 19614 4757 1 13 . 1 1 28 28 PRO C C 28 176.815 176.815 175.562 1.253 19614 4758 1 13 . 1 1 28 28 PRO CA C 28 62.876 62.876 62.983 -0.107 19614 4759 1 13 . 1 1 28 28 PRO CB C 28 32.162 32.162 31.459 0.703 19614 4760 1 13 . 1 1 29 29 LYS N N 29 122.449 122.449 122.026 0.423 19614 4761 1 13 . 1 1 29 29 LYS HA H 29 4.297 4.297 4.359 -0.062 19614 4762 1 13 . 1 1 29 29 LYS C C 29 176.961 176.961 177.797 -0.836 19614 4763 1 13 . 1 1 29 29 LYS CA C 29 56.463 56.463 57.023 -0.560 19614 4764 1 13 . 1 1 29 29 LYS CB C 29 32.816 32.816 33.040 -0.224 19614 4765 1 13 . 1 1 29 29 LYS H H 29 8.586 8.586 8.221 0.365 19614 4766 1 13 . 1 1 30 30 THR N N 30 115.695 115.695 114.457 1.238 19614 4767 1 13 . 1 1 30 30 THR HA H 30 4.293 4.293 4.301 -0.008 19614 4768 1 13 . 1 1 30 30 THR C C 30 174.354 174.354 175.541 -1.187 19614 4769 1 13 . 1 1 30 30 THR CA C 30 61.555 61.555 64.316 -2.761 19614 4770 1 13 . 1 1 30 30 THR CB C 30 69.949 69.949 68.787 1.163 19614 4771 1 13 . 1 1 30 30 THR H H 30 8.219 8.219 8.207 0.012 19614 4772 1 13 . 1 1 31 31 ALA N N 31 125.923 125.923 123.983 1.940 19614 4773 1 13 . 1 1 31 31 ALA HA H 31 4.312 4.312 4.353 -0.041 19614 4774 1 13 . 1 1 31 31 ALA C C 31 178.014 178.014 177.325 0.689 19614 4775 1 13 . 1 1 31 31 ALA CA C 31 52.781 52.781 52.432 0.349 19614 4776 1 13 . 1 1 31 31 ALA CB C 31 19.125 19.125 19.041 0.084 19614 4777 1 13 . 1 1 31 31 ALA H H 31 8.505 8.505 8.075 0.430 19614 4778 1 13 . 1 1 32 32 SER N N 32 115.249 115.249 111.989 3.260 19614 4779 1 13 . 1 1 32 32 SER HA H 32 4.338 4.338 3.914 0.424 19614 4780 1 13 . 1 1 32 32 SER C C 32 174.783 174.783 173.113 1.670 19614 4781 1 13 . 1 1 32 32 SER CA C 32 58.633 58.633 58.214 0.419 19614 4782 1 13 . 1 1 32 32 SER CB C 32 63.475 63.475 63.018 0.457 19614 4783 1 13 . 1 1 32 32 SER H H 32 8.365 8.365 7.893 0.472 19614 4784 1 13 . 1 1 33 33 GLU N N 33 122.748 122.748 119.493 3.255 19614 4785 1 13 . 1 1 33 33 GLU HA H 33 4.205 4.205 3.981 0.224 19614 4786 1 13 . 1 1 33 33 GLU C C 33 176.411 176.411 175.161 1.250 19614 4787 1 13 . 1 1 33 33 GLU CA C 33 56.678 56.678 57.367 -0.689 19614 4788 1 13 . 1 1 33 33 GLU CB C 33 30.241 30.241 29.407 0.834 19614 4789 1 13 . 1 1 33 33 GLU H H 33 8.390 8.390 8.519 -0.129 19614 4790 1 13 . 1 1 34 34 HIS N N 34 120.453 120.453 121.449 -0.996 19614 4791 1 13 . 1 1 34 34 HIS HA H 34 4.605 4.605 4.826 -0.221 19614 4792 1 13 . 1 1 34 34 HIS C C 34 175.167 175.167 175.216 -0.049 19614 4793 1 13 . 1 1 34 34 HIS CA C 34 56.035 56.035 55.557 0.478 19614 4794 1 13 . 1 1 34 34 HIS CB C 34 29.938 29.938 29.376 0.562 19614 4795 1 13 . 1 1 34 34 HIS H H 34 8.431 8.431 8.523 -0.092 19614 4796 1 13 . 1 1 35 35 ARG N N 35 122.797 122.797 118.447 4.350 19614 4797 1 13 . 1 1 35 35 ARG HA H 35 4.261 4.261 4.471 -0.210 19614 4798 1 13 . 1 1 35 35 ARG C C 35 176.411 176.411 175.467 0.944 19614 4799 1 13 . 1 1 35 35 ARG CA C 35 56.306 56.306 56.206 0.100 19614 4800 1 13 . 1 1 35 35 ARG CB C 35 30.587 30.587 30.753 -0.166 19614 4801 1 13 . 1 1 35 35 ARG H H 35 8.419 8.419 8.282 0.137 19614 4802 1 13 . 1 1 36 36 LYS N N 36 122.974 122.974 121.104 1.870 19614 4803 1 13 . 1 1 36 36 LYS HA H 36 4.288 4.288 4.459 -0.171 19614 4804 1 13 . 1 1 36 36 LYS C C 36 176.738 176.738 174.446 2.292 19614 4805 1 13 . 1 1 36 36 LYS CA C 36 56.514 56.514 56.310 0.204 19614 4806 1 13 . 1 1 36 36 LYS CB C 36 32.857 32.857 34.332 -1.475 19614 4807 1 13 . 1 1 36 36 LYS H H 36 8.482 8.482 7.945 0.537 19614 4808 1 13 . 1 1 37 37 SER N N 37 117.137 117.137 118.319 -1.182 19614 4809 1 13 . 1 1 37 37 SER HA H 37 4.469 4.469 4.740 -0.271 19614 4810 1 13 . 1 1 37 37 SER C C 37 174.495 174.495 173.532 0.963 19614 4811 1 13 . 1 1 37 37 SER CA C 37 58.115 58.115 58.464 -0.349 19614 4812 1 13 . 1 1 37 37 SER CB C 37 63.627 63.627 62.956 0.671 19614 4813 1 13 . 1 1 37 37 SER H H 37 8.410 8.410 8.492 -0.082 19614 4814 1 13 . 1 1 38 38 SER N N 38 118.622 118.622 119.404 -0.782 19614 4815 1 13 . 1 1 38 38 SER HA H 38 4.467 4.467 4.847 -0.380 19614 4816 1 13 . 1 1 38 38 SER C C 38 174.332 174.332 172.233 2.099 19614 4817 1 13 . 1 1 38 38 SER CA C 38 58.187 58.187 57.273 0.914 19614 4818 1 13 . 1 1 38 38 SER CB C 38 63.703 63.703 64.426 -0.723 19614 4819 1 13 . 1 1 38 38 SER H H 38 8.456 8.456 8.100 0.356 19614 4820 1 13 . 1 1 39 39 LYS N N 39 124.176 124.176 122.108 2.068 19614 4821 1 13 . 1 1 39 39 LYS HA H 39 4.478 4.478 4.748 -0.270 19614 4822 1 13 . 1 1 39 39 LYS C C 39 174.904 174.904 175.594 -0.690 19614 4823 1 13 . 1 1 39 39 LYS CA C 39 56.707 56.707 53.373 3.334 19614 4824 1 13 . 1 1 39 39 LYS CB C 39 31.595 31.595 33.158 -1.563 19614 4825 1 13 . 1 1 39 39 LYS H H 39 8.489 8.489 8.448 0.041 19614 4826 1 13 . 1 1 40 40 PRO HA H 40 4.401 4.401 4.287 0.114 19614 4827 1 13 . 1 1 40 40 PRO C C 40 178.173 178.173 178.515 -0.342 19614 4828 1 13 . 1 1 40 40 PRO CA C 40 64.315 64.315 65.319 -1.003 19614 4829 1 13 . 1 1 40 40 PRO CB C 40 31.675 31.675 32.009 -0.334 19614 4830 1 13 . 1 1 41 41 ILE N N 41 120.414 120.414 117.735 2.679 19614 4831 1 13 . 1 1 41 41 ILE HA H 41 3.967 3.967 3.899 0.068 19614 4832 1 13 . 1 1 41 41 ILE C C 41 177.393 177.393 177.585 -0.192 19614 4833 1 13 . 1 1 41 41 ILE CA C 41 62.575 62.575 64.467 -1.892 19614 4834 1 13 . 1 1 41 41 ILE CB C 41 37.900 37.900 37.805 0.095 19614 4835 1 13 . 1 1 41 41 ILE H H 41 8.011 8.011 7.856 0.155 19614 4836 1 13 . 1 1 42 42 MET N N 42 122.411 122.411 117.925 4.486 19614 4837 1 13 . 1 1 42 42 MET HA H 42 4.330 4.330 4.215 0.115 19614 4838 1 13 . 1 1 42 42 MET C C 42 178.050 178.050 178.604 -0.554 19614 4839 1 13 . 1 1 42 42 MET CA C 42 56.959 56.959 58.023 -1.064 19614 4840 1 13 . 1 1 42 42 MET CB C 42 32.024 32.024 31.281 0.743 19614 4841 1 13 . 1 1 42 42 MET H H 42 8.335 8.335 8.010 0.325 19614 4842 1 13 . 1 1 43 43 GLU N N 43 121.832 121.832 118.124 3.708 19614 4843 1 13 . 1 1 43 43 GLU HA H 43 4.193 4.193 4.124 0.069 19614 4844 1 13 . 1 1 43 43 GLU C C 43 177.835 177.835 178.938 -1.103 19614 4845 1 13 . 1 1 43 43 GLU CA C 43 58.157 58.157 58.812 -0.655 19614 4846 1 13 . 1 1 43 43 GLU CB C 43 29.543 29.543 29.058 0.484 19614 4847 1 13 . 1 1 43 43 GLU H H 43 8.397 8.397 8.643 -0.246 19614 4848 1 13 . 1 1 44 44 LYS N N 44 121.347 121.347 121.635 -0.288 19614 4849 1 13 . 1 1 44 44 LYS HA H 44 4.083 4.083 4.089 -0.006 19614 4850 1 13 . 1 1 44 44 LYS C C 44 178.745 178.745 178.824 -0.079 19614 4851 1 13 . 1 1 44 44 LYS CA C 44 58.846 58.846 58.638 0.208 19614 4852 1 13 . 1 1 44 44 LYS CB C 44 32.493 32.493 32.250 0.243 19614 4853 1 13 . 1 1 44 44 LYS H H 44 8.124 8.124 7.983 0.141 19614 4854 1 13 . 1 1 45 45 ARG N N 45 120.603 120.603 118.884 1.719 19614 4855 1 13 . 1 1 45 45 ARG HA H 45 4.247 4.247 3.955 0.292 19614 4856 1 13 . 1 1 45 45 ARG C C 45 178.025 178.025 178.724 -0.699 19614 4857 1 13 . 1 1 45 45 ARG CA C 45 58.201 58.201 59.949 -1.748 19614 4858 1 13 . 1 1 45 45 ARG CB C 45 29.888 29.888 30.149 -0.261 19614 4859 1 13 . 1 1 45 45 ARG H H 45 8.219 8.219 7.867 0.352 19614 4860 1 13 . 1 1 46 46 ARG N N 46 121.714 121.714 119.720 1.994 19614 4861 1 13 . 1 1 46 46 ARG HA H 46 3.908 3.908 3.993 -0.085 19614 4862 1 13 . 1 1 46 46 ARG C C 46 177.855 177.855 178.278 -0.423 19614 4863 1 13 . 1 1 46 46 ARG CA C 46 59.726 59.726 59.420 0.306 19614 4864 1 13 . 1 1 46 46 ARG CB C 46 30.215 30.215 30.163 0.052 19614 4865 1 13 . 1 1 46 46 ARG H H 46 8.245 8.245 8.264 -0.019 19614 4866 1 13 . 1 1 47 47 ARG N N 47 118.469 118.469 119.578 -1.109 19614 4867 1 13 . 1 1 47 47 ARG HA H 47 3.961 3.961 4.013 -0.052 19614 4868 1 13 . 1 1 47 47 ARG C C 47 177.899 177.899 178.288 -0.389 19614 4869 1 13 . 1 1 47 47 ARG CA C 47 58.541 58.541 59.259 -0.718 19614 4870 1 13 . 1 1 47 47 ARG CB C 47 29.704 29.704 30.056 -0.352 19614 4871 1 13 . 1 1 47 47 ARG H H 47 8.233 8.233 8.350 -0.117 19614 4872 1 13 . 1 1 48 48 ALA N N 48 121.720 121.720 121.470 0.250 19614 4873 1 13 . 1 1 48 48 ALA HA H 48 4.205 4.205 4.054 0.151 19614 4874 1 13 . 1 1 48 48 ALA C C 48 180.284 180.284 179.787 0.497 19614 4875 1 13 . 1 1 48 48 ALA CA C 48 54.815 54.815 55.113 -0.298 19614 4876 1 13 . 1 1 48 48 ALA CB C 48 18.025 18.025 18.101 -0.076 19614 4877 1 13 . 1 1 48 48 ALA H H 48 7.962 7.962 8.108 -0.146 19614 4878 1 13 . 1 1 49 49 ARG N N 49 119.603 119.603 118.244 1.359 19614 4879 1 13 . 1 1 49 49 ARG C C 49 179.589 179.589 178.878 0.711 19614 4880 1 13 . 1 1 49 49 ARG CA C 49 59.291 59.291 59.458 -0.167 19614 4881 1 13 . 1 1 49 49 ARG CB C 49 30.993 30.993 30.080 0.913 19614 4882 1 13 . 1 1 49 49 ARG H H 49 8.103 8.103 7.660 0.443 19614 4883 1 13 . 1 1 50 50 ILE N N 50 121.545 121.545 121.535 0.010 19614 4884 1 13 . 1 1 50 50 ILE HA H 50 3.662 3.662 3.540 0.122 19614 4885 1 13 . 1 1 50 50 ILE C C 50 177.372 177.372 177.674 -0.302 19614 4886 1 13 . 1 1 50 50 ILE CA C 50 65.302 65.302 65.631 -0.329 19614 4887 1 13 . 1 1 50 50 ILE CB C 50 38.216 38.216 37.386 0.829 19614 4888 1 13 . 1 1 50 50 ILE H H 50 8.145 8.145 8.357 -0.212 19614 4889 1 13 . 1 1 51 51 ASN N N 51 117.894 117.894 118.226 -0.332 19614 4890 1 13 . 1 1 51 51 ASN HA H 51 4.407 4.407 4.378 0.029 19614 4891 1 13 . 1 1 51 51 ASN C C 51 178.725 178.725 178.037 0.688 19614 4892 1 13 . 1 1 51 51 ASN CA C 51 56.205 56.205 56.809 -0.603 19614 4893 1 13 . 1 1 51 51 ASN CB C 51 37.594 37.594 38.157 -0.563 19614 4894 1 13 . 1 1 51 51 ASN H H 51 8.431 8.431 8.115 0.316 19614 4895 1 13 . 1 1 52 52 GLU N N 52 121.612 121.612 121.074 0.538 19614 4896 1 13 . 1 1 52 52 GLU HA H 52 4.205 4.205 3.981 0.224 19614 4897 1 13 . 1 1 52 52 GLU C C 52 179.243 179.243 179.179 0.064 19614 4898 1 13 . 1 1 52 52 GLU CA C 52 59.291 59.291 59.685 -0.394 19614 4899 1 13 . 1 1 52 52 GLU CB C 52 29.101 29.101 29.586 -0.485 19614 4900 1 13 . 1 1 52 52 GLU H H 52 8.299 8.299 8.669 -0.370 19614 4901 1 13 . 1 1 53 53 SER N N 53 116.604 116.604 116.005 0.599 19614 4902 1 13 . 1 1 53 53 SER C C 53 176.283 176.283 176.579 -0.296 19614 4903 1 13 . 1 1 53 53 SER CA C 53 63.032 63.032 62.095 0.937 19614 4904 1 13 . 1 1 53 53 SER H H 53 8.254 8.254 8.168 0.086 19614 4905 1 13 . 1 1 54 54 LEU N N 54 121.925 121.925 122.649 -0.724 19614 4906 1 13 . 1 1 54 54 LEU HA H 54 3.962 3.962 4.002 -0.040 19614 4907 1 13 . 1 1 54 54 LEU C C 54 178.897 178.897 178.009 0.888 19614 4908 1 13 . 1 1 54 54 LEU CA C 54 58.116 58.116 58.056 0.060 19614 4909 1 13 . 1 1 54 54 LEU CB C 54 41.576 41.576 41.922 -0.346 19614 4910 1 13 . 1 1 54 54 LEU H H 54 8.693 8.693 8.604 0.089 19614 4911 1 13 . 1 1 55 55 SER N N 55 114.515 114.515 114.740 -0.225 19614 4912 1 13 . 1 1 55 55 SER HA H 55 4.181 4.181 4.066 0.115 19614 4913 1 13 . 1 1 55 55 SER C C 55 177.381 177.381 176.710 0.671 19614 4914 1 13 . 1 1 55 55 SER CA C 55 61.568 61.568 62.316 -0.748 19614 4915 1 13 . 1 1 55 55 SER CB C 55 62.527 62.527 63.273 -0.746 19614 4916 1 13 . 1 1 55 55 SER H H 55 7.823 7.823 8.321 -0.498 19614 4917 1 13 . 1 1 56 56 GLN N N 56 120.605 120.605 120.861 -0.256 19614 4918 1 13 . 1 1 56 56 GLN HA H 56 4.087 4.087 4.177 -0.090 19614 4919 1 13 . 1 1 56 56 GLN C C 56 178.904 178.904 178.117 0.787 19614 4920 1 13 . 1 1 56 56 GLN CA C 56 58.679 58.679 58.246 0.433 19614 4921 1 13 . 1 1 56 56 GLN CB C 56 28.669 28.669 28.357 0.312 19614 4922 1 13 . 1 1 56 56 GLN H H 56 7.886 7.886 7.800 0.086 19614 4923 1 13 . 1 1 57 57 LEU N N 57 120.488 120.488 123.089 -2.601 19614 4924 1 13 . 1 1 57 57 LEU HA H 57 3.953 3.953 3.911 0.042 19614 4925 1 13 . 1 1 57 57 LEU C C 57 177.406 177.406 178.272 -0.866 19614 4926 1 13 . 1 1 57 57 LEU CA C 57 57.957 57.957 58.515 -0.558 19614 4927 1 13 . 1 1 57 57 LEU CB C 57 41.486 41.486 42.023 -0.537 19614 4928 1 13 . 1 1 57 57 LEU H H 57 8.845 8.845 8.360 0.485 19614 4929 1 13 . 1 1 58 58 LYS N N 58 118.053 118.053 116.815 1.238 19614 4930 1 13 . 1 1 58 58 LYS C C 58 176.891 176.891 179.156 -2.265 19614 4931 1 13 . 1 1 58 58 LYS CA C 58 60.535 60.535 59.146 1.389 19614 4932 1 13 . 1 1 58 58 LYS CB C 58 31.903 31.903 31.765 0.138 19614 4933 1 13 . 1 1 58 58 LYS H H 58 8.145 8.145 7.898 0.247 19614 4934 1 13 . 1 1 59 59 THR N N 59 112.948 112.948 117.996 -5.048 19614 4935 1 13 . 1 1 59 59 THR HA H 59 3.812 3.812 4.137 -0.325 19614 4936 1 13 . 1 1 59 59 THR C C 59 176.273 176.273 176.564 -0.291 19614 4937 1 13 . 1 1 59 59 THR CA C 59 66.367 66.367 66.596 -0.229 19614 4938 1 13 . 1 1 59 59 THR CB C 59 68.902 68.902 68.770 0.132 19614 4939 1 13 . 1 1 59 59 THR H H 59 7.393 7.393 7.654 -0.261 19614 4940 1 13 . 1 1 60 60 LEU N N 60 120.435 120.435 121.749 -1.314 19614 4941 1 13 . 1 1 60 60 LEU HA H 60 4.066 4.066 4.158 -0.092 19614 4942 1 13 . 1 1 60 60 LEU C C 60 179.994 179.994 179.338 0.656 19614 4943 1 13 . 1 1 60 60 LEU CA C 60 58.096 58.096 57.572 0.524 19614 4944 1 13 . 1 1 60 60 LEU CB C 60 43.107 43.107 40.833 2.274 19614 4945 1 13 . 1 1 60 60 LEU H H 60 8.005 8.005 8.537 -0.532 19614 4946 1 13 . 1 1 61 61 ILE N N 61 120.041 120.041 119.521 0.520 19614 4947 1 13 . 1 1 61 61 ILE HA H 61 3.934 3.934 3.823 0.111 19614 4948 1 13 . 1 1 61 61 ILE C C 61 176.957 176.957 178.755 -1.798 19614 4949 1 13 . 1 1 61 61 ILE CA C 61 60.979 60.979 63.908 -2.929 19614 4950 1 13 . 1 1 61 61 ILE CB C 61 37.229 37.229 36.795 0.434 19614 4951 1 13 . 1 1 61 61 ILE H H 61 8.847 8.847 8.387 0.460 19614 4952 1 13 . 1 1 62 62 LEU N N 62 121.236 121.236 122.145 -0.909 19614 4953 1 13 . 1 1 62 62 LEU HA H 62 3.909 3.909 4.064 -0.155 19614 4954 1 13 . 1 1 62 62 LEU C C 62 179.562 179.562 178.346 1.216 19614 4955 1 13 . 1 1 62 62 LEU CA C 62 58.035 58.035 57.668 0.367 19614 4956 1 13 . 1 1 62 62 LEU CB C 62 40.219 40.219 40.747 -0.528 19614 4957 1 13 . 1 1 62 62 LEU H H 62 7.944 7.944 8.332 -0.388 19614 4958 1 13 . 1 1 63 63 ASP N N 63 117.983 117.983 119.307 -1.324 19614 4959 1 13 . 1 1 63 63 ASP HA H 63 4.458 4.458 4.405 0.053 19614 4960 1 13 . 1 1 63 63 ASP C C 63 178.858 178.858 177.357 1.501 19614 4961 1 13 . 1 1 63 63 ASP CA C 63 56.964 56.964 56.975 -0.011 19614 4962 1 13 . 1 1 63 63 ASP CB C 63 40.822 40.822 41.086 -0.264 19614 4963 1 13 . 1 1 63 63 ASP H H 63 7.844 7.844 8.400 -0.556 19614 4964 1 13 . 1 1 64 64 ALA N N 64 122.425 122.425 120.477 1.948 19614 4965 1 13 . 1 1 64 64 ALA HA H 64 4.086 4.086 4.180 -0.094 19614 4966 1 13 . 1 1 64 64 ALA C C 64 179.354 179.354 179.281 0.073 19614 4967 1 13 . 1 1 64 64 ALA CA C 64 54.396 54.396 54.693 -0.297 19614 4968 1 13 . 1 1 64 64 ALA CB C 64 17.785 17.785 19.075 -1.290 19614 4969 1 13 . 1 1 64 64 ALA H H 64 7.869 7.869 7.862 0.007 19614 4970 1 13 . 1 1 65 65 LEU N N 65 116.489 116.489 115.800 0.689 19614 4971 1 13 . 1 1 65 65 LEU HA H 65 4.222 4.222 4.268 -0.046 19614 4972 1 13 . 1 1 65 65 LEU C C 65 176.661 176.661 176.655 0.006 19614 4973 1 13 . 1 1 65 65 LEU CA C 65 54.642 54.642 54.988 -0.346 19614 4974 1 13 . 1 1 65 65 LEU CB C 65 41.957 41.957 42.900 -0.943 19614 4975 1 13 . 1 1 65 65 LEU H H 65 7.669 7.669 7.429 0.240 19614 4976 1 13 . 1 1 66 66 LYS N N 66 118.229 118.229 117.414 0.815 19614 4977 1 13 . 1 1 66 66 LYS HA H 66 4.058 4.058 3.971 0.087 19614 4978 1 13 . 1 1 66 66 LYS C C 66 176.651 176.651 175.899 0.752 19614 4979 1 13 . 1 1 66 66 LYS CA C 66 57.100 57.100 57.169 -0.069 19614 4980 1 13 . 1 1 66 66 LYS CB C 66 30.249 30.249 29.318 0.931 19614 4981 1 13 . 1 1 66 66 LYS H H 66 7.806 7.806 8.307 -0.501 19614 4982 1 13 . 1 1 67 67 LYS N N 67 119.380 119.380 119.391 -0.011 19614 4983 1 13 . 1 1 67 67 LYS HA H 67 4.278 4.278 4.214 0.064 19614 4984 1 13 . 1 1 67 67 LYS C C 67 176.163 176.163 176.554 -0.391 19614 4985 1 13 . 1 1 67 67 LYS CA C 67 55.658 55.658 57.802 -2.144 19614 4986 1 13 . 1 1 67 67 LYS CB C 67 33.462 33.462 33.288 0.174 19614 4987 1 13 . 1 1 67 67 LYS H H 67 8.249 8.249 8.240 0.009 19614 4988 1 13 . 1 1 68 68 ASP N N 68 120.812 120.812 115.115 5.697 19614 4989 1 13 . 1 1 68 68 ASP HA H 68 4.601 4.601 4.794 -0.193 19614 4990 1 13 . 1 1 68 68 ASP C C 68 177.001 177.001 175.595 1.406 19614 4991 1 13 . 1 1 68 68 ASP CA C 68 54.192 54.192 53.600 0.592 19614 4992 1 13 . 1 1 68 68 ASP CB C 68 41.383 41.383 43.890 -2.507 19614 4993 1 13 . 1 1 68 68 ASP H H 68 8.350 8.350 7.548 0.802 19614 4994 1 13 . 1 1 69 69 SER N N 69 119.061 119.061 116.795 2.266 19614 4995 1 13 . 1 1 69 69 SER HA H 69 4.199 4.199 4.451 -0.252 19614 4996 1 13 . 1 1 69 69 SER C C 69 175.643 175.643 176.062 -0.419 19614 4997 1 13 . 1 1 69 69 SER CA C 69 59.636 59.636 59.854 -0.218 19614 4998 1 13 . 1 1 69 69 SER CB C 69 63.237 63.237 63.696 -0.459 19614 4999 1 13 . 1 1 69 69 SER H H 69 8.608 8.608 8.610 -0.002 19614 5000 1 13 . 1 1 70 70 SER N N 70 118.325 118.325 117.781 0.544 19614 5001 1 13 . 1 1 70 70 SER HA H 70 4.335 4.335 4.301 0.034 19614 5002 1 13 . 1 1 70 70 SER C C 70 175.275 175.275 175.431 -0.156 19614 5003 1 13 . 1 1 70 70 SER CA C 70 59.700 59.700 60.958 -1.258 19614 5004 1 13 . 1 1 70 70 SER CB C 70 63.243 63.243 63.083 0.160 19614 5005 1 13 . 1 1 70 70 SER H H 70 8.514 8.514 8.419 0.095 19614 5006 1 13 . 1 1 71 71 ARG N N 71 121.317 121.317 116.575 4.742 19614 5007 1 13 . 1 1 71 71 ARG HA H 71 4.231 4.231 4.185 0.046 19614 5008 1 13 . 1 1 71 71 ARG C C 71 176.223 176.223 178.714 -2.491 19614 5009 1 13 . 1 1 71 71 ARG CA C 71 56.368 56.368 57.976 -1.608 19614 5010 1 13 . 1 1 71 71 ARG CB C 71 30.148 30.148 29.448 0.700 19614 5011 1 13 . 1 1 71 71 ARG H H 71 7.965 7.965 8.311 -0.346 19614 5012 1 13 . 1 1 72 72 HIS N N 72 118.894 118.894 120.933 -2.039 19614 5013 1 13 . 1 1 72 72 HIS HA H 72 4.663 4.663 4.324 0.339 19614 5014 1 13 . 1 1 72 72 HIS C C 72 175.122 175.122 176.903 -1.781 19614 5015 1 13 . 1 1 72 72 HIS CA C 72 55.935 55.935 58.785 -2.850 19614 5016 1 13 . 1 1 72 72 HIS CB C 72 29.974 29.974 30.025 -0.051 19614 5017 1 13 . 1 1 72 72 HIS H H 72 8.036 8.036 7.770 0.266 19614 5018 1 13 . 1 1 73 73 SER N N 73 116.302 116.302 113.123 3.179 19614 5019 1 13 . 1 1 73 73 SER HA H 73 4.313 4.313 4.366 -0.053 19614 5020 1 13 . 1 1 73 73 SER C C 73 174.559 174.559 174.939 -0.380 19614 5021 1 13 . 1 1 73 73 SER CA C 73 59.297 59.297 60.025 -0.728 19614 5022 1 13 . 1 1 73 73 SER CB C 73 63.522 63.522 62.833 0.689 19614 5023 1 13 . 1 1 73 73 SER H H 73 8.029 8.029 8.281 -0.252 19614 5024 1 13 . 1 1 74 74 LYS N N 74 122.545 122.545 121.478 1.067 19614 5025 1 13 . 1 1 74 74 LYS HA H 74 4.336 4.336 4.490 -0.154 19614 5026 1 13 . 1 1 74 74 LYS C C 74 175.929 175.929 175.010 0.919 19614 5027 1 13 . 1 1 74 74 LYS CA C 74 55.918 55.918 54.691 1.227 19614 5028 1 13 . 1 1 74 74 LYS CB C 74 32.143 32.143 32.920 -0.777 19614 5029 1 13 . 1 1 74 74 LYS H H 74 8.394 8.394 7.428 0.966 19614 5030 1 13 . 1 1 75 75 LEU N N 75 123.393 123.393 122.910 0.483 19614 5031 1 13 . 1 1 75 75 LEU HA H 75 4.402 4.402 4.169 0.233 19614 5032 1 13 . 1 1 75 75 LEU C C 75 176.575 176.575 176.777 -0.202 19614 5033 1 13 . 1 1 75 75 LEU CA C 75 54.697 54.697 55.348 -0.651 19614 5034 1 13 . 1 1 75 75 LEU CB C 75 43.481 43.481 41.813 1.668 19614 5035 1 13 . 1 1 75 75 LEU H H 75 7.943 7.943 7.363 0.580 19614 5036 1 13 . 1 1 76 76 GLU N N 76 123.357 123.357 123.491 -0.134 19614 5037 1 13 . 1 1 76 76 GLU HA H 76 4.551 4.551 4.396 0.155 19614 5038 1 13 . 1 1 76 76 GLU C C 76 177.445 177.445 177.063 0.382 19614 5039 1 13 . 1 1 76 76 GLU CA C 76 54.962 54.962 55.387 -0.425 19614 5040 1 13 . 1 1 76 76 GLU CB C 76 31.245 31.245 30.654 0.591 19614 5041 1 13 . 1 1 76 76 GLU H H 76 9.136 9.136 8.359 0.777 19614 5042 1 13 . 1 1 77 77 LYS N N 77 122.655 122.655 124.897 -2.242 19614 5043 1 13 . 1 1 77 77 LYS HA H 77 3.830 3.830 3.857 -0.027 19614 5044 1 13 . 1 1 77 77 LYS C C 77 177.908 177.908 178.313 -0.405 19614 5045 1 13 . 1 1 77 77 LYS CA C 77 61.105 61.105 60.306 0.799 19614 5046 1 13 . 1 1 77 77 LYS CB C 77 32.423 32.423 32.375 0.048 19614 5047 1 13 . 1 1 77 77 LYS H H 77 8.858 8.858 8.890 -0.032 19614 5048 1 13 . 1 1 78 78 ALA N N 78 118.008 118.008 118.695 -0.687 19614 5049 1 13 . 1 1 78 78 ALA HA H 78 3.892 3.892 4.179 -0.287 19614 5050 1 13 . 1 1 78 78 ALA C C 78 179.758 179.758 179.583 0.175 19614 5051 1 13 . 1 1 78 78 ALA CA C 78 55.456 55.456 54.730 0.726 19614 5052 1 13 . 1 1 78 78 ALA CB C 78 17.839 17.839 17.968 -0.129 19614 5053 1 13 . 1 1 78 78 ALA H H 78 9.131 9.131 8.385 0.746 19614 5054 1 13 . 1 1 79 79 ASP N N 79 114.744 114.744 119.550 -4.806 19614 5055 1 13 . 1 1 79 79 ASP HA H 79 4.346 4.346 4.490 -0.144 19614 5056 1 13 . 1 1 79 79 ASP C C 79 178.104 178.104 178.419 -0.315 19614 5057 1 13 . 1 1 79 79 ASP CA C 79 57.088 57.088 56.681 0.408 19614 5058 1 13 . 1 1 79 79 ASP CB C 79 41.728 41.728 40.785 0.943 19614 5059 1 13 . 1 1 79 79 ASP H H 79 7.052 7.052 7.715 -0.663 19614 5060 1 13 . 1 1 80 80 ILE N N 80 119.398 119.398 120.325 -0.927 19614 5061 1 13 . 1 1 80 80 ILE HA H 80 3.592 3.592 3.611 -0.019 19614 5062 1 13 . 1 1 80 80 ILE C C 80 179.567 179.567 177.947 1.620 19614 5063 1 13 . 1 1 80 80 ILE CA C 80 64.201 64.201 65.672 -1.471 19614 5064 1 13 . 1 1 80 80 ILE CB C 80 37.514 37.514 38.053 -0.539 19614 5065 1 13 . 1 1 80 80 ILE H H 80 7.983 7.983 7.957 0.026 19614 5066 1 13 . 1 1 81 81 LEU N N 81 120.930 120.930 120.037 0.893 19614 5067 1 13 . 1 1 81 81 LEU HA H 81 3.931 3.931 3.841 0.090 19614 5068 1 13 . 1 1 81 81 LEU C C 81 178.312 178.312 178.905 -0.593 19614 5069 1 13 . 1 1 81 81 LEU CA C 81 58.588 58.588 58.266 0.322 19614 5070 1 13 . 1 1 81 81 LEU CB C 81 41.727 41.727 41.153 0.574 19614 5071 1 13 . 1 1 81 81 LEU H H 81 8.171 8.171 7.952 0.219 19614 5072 1 13 . 1 1 82 82 GLU N N 82 119.314 119.314 119.233 0.081 19614 5073 1 13 . 1 1 82 82 GLU HA H 82 3.917 3.917 3.903 0.014 19614 5074 1 13 . 1 1 82 82 GLU C C 82 180.151 180.151 178.784 1.367 19614 5075 1 13 . 1 1 82 82 GLU CA C 82 59.864 59.864 59.343 0.521 19614 5076 1 13 . 1 1 82 82 GLU CB C 82 29.364 29.364 29.527 -0.163 19614 5077 1 13 . 1 1 82 82 GLU H H 82 7.984 7.984 8.090 -0.106 19614 5078 1 13 . 1 1 83 83 MET N N 83 118.669 118.669 119.040 -0.371 19614 5079 1 13 . 1 1 83 83 MET HA H 83 4.033 4.033 3.934 0.099 19614 5080 1 13 . 1 1 83 83 MET C C 83 178.488 178.488 177.943 0.545 19614 5081 1 13 . 1 1 83 83 MET CA C 83 59.083 59.083 59.239 -0.155 19614 5082 1 13 . 1 1 83 83 MET CB C 83 33.883 33.883 32.419 1.464 19614 5083 1 13 . 1 1 83 83 MET H H 83 8.639 8.639 7.742 0.897 19614 5084 1 13 . 1 1 84 84 THR N N 84 118.733 118.733 116.070 2.663 19614 5085 1 13 . 1 1 84 84 THR HA H 84 3.853 3.853 4.009 -0.156 19614 5086 1 13 . 1 1 84 84 THR C C 84 175.659 175.659 176.731 -1.072 19614 5087 1 13 . 1 1 84 84 THR CA C 84 68.029 68.029 66.655 1.374 19614 5088 1 13 . 1 1 84 84 THR CB C 84 67.595 67.595 68.483 -0.888 19614 5089 1 13 . 1 1 84 84 THR H H 84 7.946 7.946 7.700 0.246 19614 5090 1 13 . 1 1 85 85 VAL N N 85 122.083 122.083 121.909 0.174 19614 5091 1 13 . 1 1 85 85 VAL HA H 85 3.311 3.311 3.635 -0.324 19614 5092 1 13 . 1 1 85 85 VAL C C 85 177.078 177.078 177.503 -0.425 19614 5093 1 13 . 1 1 85 85 VAL CA C 85 67.381 67.381 66.806 0.575 19614 5094 1 13 . 1 1 85 85 VAL CB C 85 32.168 32.168 31.276 0.892 19614 5095 1 13 . 1 1 85 85 VAL H H 85 8.089 8.089 7.816 0.273 19614 5096 1 13 . 1 1 86 86 LYS N N 86 117.409 117.409 119.202 -1.793 19614 5097 1 13 . 1 1 86 86 LYS HA H 86 3.835 3.835 3.960 -0.125 19614 5098 1 13 . 1 1 86 86 LYS C C 86 178.617 178.617 179.162 -0.545 19614 5099 1 13 . 1 1 86 86 LYS CA C 86 60.014 60.014 59.923 0.091 19614 5100 1 13 . 1 1 86 86 LYS CB C 86 32.336 32.336 32.243 0.093 19614 5101 1 13 . 1 1 86 86 LYS H H 86 7.785 7.785 8.329 -0.544 19614 5102 1 13 . 1 1 87 87 HIS N N 87 118.731 118.731 117.891 0.840 19614 5103 1 13 . 1 1 87 87 HIS HA H 87 4.513 4.513 4.400 0.113 19614 5104 1 13 . 1 1 87 87 HIS C C 87 177.356 177.356 177.679 -0.323 19614 5105 1 13 . 1 1 87 87 HIS CA C 87 59.368 59.368 57.923 1.445 19614 5106 1 13 . 1 1 87 87 HIS CB C 87 32.047 32.047 29.327 2.720 19614 5107 1 13 . 1 1 87 87 HIS H H 87 8.055 8.055 8.197 -0.142 19614 5108 1 13 . 1 1 88 88 LEU N N 88 117.189 117.189 119.729 -2.540 19614 5109 1 13 . 1 1 88 88 LEU C C 88 180.158 180.158 178.737 1.421 19614 5110 1 13 . 1 1 88 88 LEU CA C 88 57.927 57.927 58.557 -0.630 19614 5111 1 13 . 1 1 88 88 LEU CB C 88 41.748 41.748 41.069 0.679 19614 5112 1 13 . 1 1 88 88 LEU H H 88 8.450 8.450 7.795 0.655 19614 5113 1 13 . 1 1 89 89 ARG N N 89 119.542 119.542 120.077 -0.535 19614 5114 1 13 . 1 1 89 89 ARG HA H 89 3.901 3.901 3.986 -0.085 19614 5115 1 13 . 1 1 89 89 ARG C C 89 178.875 178.875 178.902 -0.027 19614 5116 1 13 . 1 1 89 89 ARG CA C 89 59.667 59.667 59.343 0.324 19614 5117 1 13 . 1 1 89 89 ARG CB C 89 29.542 29.542 29.504 0.038 19614 5118 1 13 . 1 1 89 89 ARG H H 89 8.616 8.616 7.965 0.651 19614 5119 1 13 . 1 1 90 90 ASN N N 90 118.676 118.676 119.201 -0.525 19614 5120 1 13 . 1 1 90 90 ASN HA H 90 4.478 4.478 4.425 0.053 19614 5121 1 13 . 1 1 90 90 ASN C C 90 177.824 177.824 177.742 0.082 19614 5122 1 13 . 1 1 90 90 ASN CA C 90 55.393 55.393 56.021 -0.628 19614 5123 1 13 . 1 1 90 90 ASN CB C 90 37.874 37.874 37.995 -0.121 19614 5124 1 13 . 1 1 90 90 ASN H H 90 7.935 7.935 7.869 0.066 19614 5125 1 13 . 1 1 91 91 LEU N N 91 119.885 119.885 121.077 -1.192 19614 5126 1 13 . 1 1 91 91 LEU HA H 91 4.045 4.045 3.951 0.094 19614 5127 1 13 . 1 1 91 91 LEU C C 91 178.707 178.707 178.894 -0.187 19614 5128 1 13 . 1 1 91 91 LEU CA C 91 56.705 56.705 57.969 -1.264 19614 5129 1 13 . 1 1 91 91 LEU CB C 91 41.918 41.918 41.627 0.291 19614 5130 1 13 . 1 1 91 91 LEU H H 91 7.890 7.890 7.959 -0.069 19614 5131 1 13 . 1 1 92 92 GLN N N 92 118.288 118.288 117.346 0.942 19614 5132 1 13 . 1 1 92 92 GLN HA H 92 4.149 4.149 4.083 0.066 19614 5133 1 13 . 1 1 92 92 GLN C C 92 176.562 176.562 178.063 -1.501 19614 5134 1 13 . 1 1 92 92 GLN CA C 92 57.055 57.055 58.548 -1.493 19614 5135 1 13 . 1 1 92 92 GLN CB C 92 28.937 28.937 28.639 0.298 19614 5136 1 13 . 1 1 92 92 GLN H H 92 7.683 7.683 8.158 -0.475 19614 5137 1 13 . 1 1 93 93 ARG N N 93 119.664 119.664 114.837 4.827 19614 5138 1 13 . 1 1 93 93 ARG HA H 93 4.238 4.238 4.554 -0.316 19614 5139 1 13 . 1 1 93 93 ARG C C 93 175.928 175.928 176.293 -0.365 19614 5140 1 13 . 1 1 93 93 ARG CA C 93 56.467 56.467 56.030 0.437 19614 5141 1 13 . 1 1 93 93 ARG CB C 93 30.459 30.459 30.133 0.327 19614 5142 1 13 . 1 1 93 93 ARG H H 93 7.786 7.786 7.853 -0.067 19614 5143 1 13 . 1 1 94 94 ALA N N 94 124.562 124.562 121.615 2.947 19614 5144 1 13 . 1 1 94 94 ALA HA H 94 4.308 4.308 4.505 -0.197 19614 5145 1 13 . 1 1 94 94 ALA C C 94 176.753 176.753 177.432 -0.679 19614 5146 1 13 . 1 1 94 94 ALA CA C 94 52.465 52.465 52.370 0.095 19614 5147 1 13 . 1 1 94 94 ALA CB C 94 19.023 19.023 19.814 -0.791 19614 5148 1 13 . 1 1 94 94 ALA H H 94 8.017 8.017 7.600 0.417 19614 5149 1 14 . 1 1 27 27 LYS HA H 27 4.626 4.626 4.720 -0.094 19614 5150 1 14 . 1 1 27 27 LYS CA C 27 54.410 54.410 55.136 -0.726 19614 5151 1 14 . 1 1 27 27 LYS CB C 27 32.346 32.346 33.721 -1.375 19614 5152 1 14 . 1 1 28 28 PRO HA H 28 4.402 4.402 4.527 -0.125 19614 5153 1 14 . 1 1 28 28 PRO C C 28 176.815 176.815 176.437 0.378 19614 5154 1 14 . 1 1 28 28 PRO CA C 28 62.876 62.876 62.767 0.109 19614 5155 1 14 . 1 1 28 28 PRO CB C 28 32.162 32.162 32.653 -0.491 19614 5156 1 14 . 1 1 29 29 LYS N N 29 122.449 122.449 125.435 -2.986 19614 5157 1 14 . 1 1 29 29 LYS HA H 29 4.297 4.297 4.566 -0.269 19614 5158 1 14 . 1 1 29 29 LYS C C 29 176.961 176.961 175.966 0.995 19614 5159 1 14 . 1 1 29 29 LYS CA C 29 56.463 56.463 55.571 0.893 19614 5160 1 14 . 1 1 29 29 LYS CB C 29 32.816 32.816 32.044 0.772 19614 5161 1 14 . 1 1 29 29 LYS H H 29 8.586 8.586 8.474 0.112 19614 5162 1 14 . 1 1 30 30 THR N N 30 115.695 115.695 121.905 -6.210 19614 5163 1 14 . 1 1 30 30 THR HA H 30 4.293 4.293 4.497 -0.204 19614 5164 1 14 . 1 1 30 30 THR C C 30 174.354 174.354 174.657 -0.303 19614 5165 1 14 . 1 1 30 30 THR CA C 30 61.555 61.555 62.389 -0.834 19614 5166 1 14 . 1 1 30 30 THR CB C 30 69.949 69.949 69.583 0.366 19614 5167 1 14 . 1 1 30 30 THR H H 30 8.219 8.219 8.279 -0.060 19614 5168 1 14 . 1 1 31 31 ALA N N 31 125.923 125.923 131.120 -5.197 19614 5169 1 14 . 1 1 31 31 ALA HA H 31 4.312 4.312 3.996 0.316 19614 5170 1 14 . 1 1 31 31 ALA C C 31 178.014 178.014 176.965 1.049 19614 5171 1 14 . 1 1 31 31 ALA CA C 31 52.781 52.781 53.037 -0.256 19614 5172 1 14 . 1 1 31 31 ALA CB C 31 19.125 19.125 18.108 1.017 19614 5173 1 14 . 1 1 31 31 ALA H H 31 8.505 8.505 8.694 -0.189 19614 5174 1 14 . 1 1 32 32 SER N N 32 115.249 115.249 114.764 0.485 19614 5175 1 14 . 1 1 32 32 SER HA H 32 4.338 4.338 3.959 0.379 19614 5176 1 14 . 1 1 32 32 SER C C 32 174.783 174.783 174.760 0.023 19614 5177 1 14 . 1 1 32 32 SER CA C 32 58.633 58.633 58.821 -0.188 19614 5178 1 14 . 1 1 32 32 SER CB C 32 63.475 63.475 62.218 1.257 19614 5179 1 14 . 1 1 32 32 SER H H 32 8.365 8.365 8.233 0.132 19614 5180 1 14 . 1 1 33 33 GLU N N 33 122.748 122.748 122.488 0.260 19614 5181 1 14 . 1 1 33 33 GLU HA H 33 4.205 4.205 4.043 0.162 19614 5182 1 14 . 1 1 33 33 GLU C C 33 176.411 176.411 176.328 0.083 19614 5183 1 14 . 1 1 33 33 GLU CA C 33 56.678 56.678 57.759 -1.081 19614 5184 1 14 . 1 1 33 33 GLU CB C 33 30.241 30.241 29.998 0.243 19614 5185 1 14 . 1 1 33 33 GLU H H 33 8.390 8.390 8.644 -0.254 19614 5186 1 14 . 1 1 34 34 HIS N N 34 120.453 120.453 116.156 4.297 19614 5187 1 14 . 1 1 34 34 HIS HA H 34 4.605 4.605 4.561 0.044 19614 5188 1 14 . 1 1 34 34 HIS C C 34 175.167 175.167 174.554 0.613 19614 5189 1 14 . 1 1 34 34 HIS CA C 34 56.035 56.035 55.427 0.608 19614 5190 1 14 . 1 1 34 34 HIS CB C 34 29.938 29.938 29.838 0.100 19614 5191 1 14 . 1 1 34 34 HIS H H 34 8.431 8.431 7.727 0.704 19614 5192 1 14 . 1 1 35 35 ARG N N 35 122.797 122.797 126.730 -3.933 19614 5193 1 14 . 1 1 35 35 ARG HA H 35 4.261 4.261 4.367 -0.106 19614 5194 1 14 . 1 1 35 35 ARG C C 35 176.411 176.411 175.466 0.945 19614 5195 1 14 . 1 1 35 35 ARG CA C 35 56.306 56.306 55.647 0.659 19614 5196 1 14 . 1 1 35 35 ARG CB C 35 30.587 30.587 30.128 0.459 19614 5197 1 14 . 1 1 35 35 ARG H H 35 8.419 8.419 8.801 -0.382 19614 5198 1 14 . 1 1 36 36 LYS N N 36 122.974 122.974 126.539 -3.565 19614 5199 1 14 . 1 1 36 36 LYS HA H 36 4.288 4.288 4.501 -0.213 19614 5200 1 14 . 1 1 36 36 LYS C C 36 176.738 176.738 176.173 0.565 19614 5201 1 14 . 1 1 36 36 LYS CA C 36 56.514 56.514 55.116 1.398 19614 5202 1 14 . 1 1 36 36 LYS CB C 36 32.857 32.857 32.852 0.005 19614 5203 1 14 . 1 1 36 36 LYS H H 36 8.482 8.482 8.181 0.301 19614 5204 1 14 . 1 1 37 37 SER N N 37 117.137 117.137 123.311 -6.174 19614 5205 1 14 . 1 1 37 37 SER HA H 37 4.469 4.469 4.579 -0.110 19614 5206 1 14 . 1 1 37 37 SER C C 37 174.495 174.495 174.892 -0.397 19614 5207 1 14 . 1 1 37 37 SER CA C 37 58.115 58.115 58.724 -0.609 19614 5208 1 14 . 1 1 37 37 SER CB C 37 63.627 63.627 62.982 0.645 19614 5209 1 14 . 1 1 37 37 SER H H 37 8.410 8.410 8.690 -0.280 19614 5210 1 14 . 1 1 38 38 SER N N 38 118.622 118.622 119.532 -0.910 19614 5211 1 14 . 1 1 38 38 SER HA H 38 4.467 4.467 4.683 -0.216 19614 5212 1 14 . 1 1 38 38 SER C C 38 174.332 174.332 174.025 0.307 19614 5213 1 14 . 1 1 38 38 SER CA C 38 58.187 58.187 58.010 0.177 19614 5214 1 14 . 1 1 38 38 SER CB C 38 63.703 63.703 63.828 -0.125 19614 5215 1 14 . 1 1 38 38 SER H H 38 8.456 8.456 8.193 0.263 19614 5216 1 14 . 1 1 39 39 LYS N N 39 124.176 124.176 123.955 0.221 19614 5217 1 14 . 1 1 39 39 LYS HA H 39 4.478 4.478 4.811 -0.333 19614 5218 1 14 . 1 1 39 39 LYS C C 39 174.904 174.904 175.559 -0.655 19614 5219 1 14 . 1 1 39 39 LYS CA C 39 56.707 56.707 53.084 3.623 19614 5220 1 14 . 1 1 39 39 LYS CB C 39 31.595 31.595 32.926 -1.331 19614 5221 1 14 . 1 1 39 39 LYS H H 39 8.489 8.489 8.010 0.479 19614 5222 1 14 . 1 1 40 40 PRO HA H 40 4.401 4.401 4.322 0.079 19614 5223 1 14 . 1 1 40 40 PRO C C 40 178.173 178.173 178.725 -0.552 19614 5224 1 14 . 1 1 40 40 PRO CA C 40 64.315 64.315 65.166 -0.851 19614 5225 1 14 . 1 1 40 40 PRO CB C 40 31.675 31.675 32.057 -0.383 19614 5226 1 14 . 1 1 41 41 ILE N N 41 120.414 120.414 117.827 2.587 19614 5227 1 14 . 1 1 41 41 ILE HA H 41 3.967 3.967 3.874 0.093 19614 5228 1 14 . 1 1 41 41 ILE C C 41 177.393 177.393 177.551 -0.158 19614 5229 1 14 . 1 1 41 41 ILE CA C 41 62.575 62.575 64.625 -2.050 19614 5230 1 14 . 1 1 41 41 ILE CB C 41 37.900 37.900 37.838 0.062 19614 5231 1 14 . 1 1 41 41 ILE H H 41 8.011 8.011 7.867 0.144 19614 5232 1 14 . 1 1 42 42 MET N N 42 122.411 122.411 117.472 4.939 19614 5233 1 14 . 1 1 42 42 MET HA H 42 4.330 4.330 4.229 0.101 19614 5234 1 14 . 1 1 42 42 MET C C 42 178.050 178.050 178.611 -0.561 19614 5235 1 14 . 1 1 42 42 MET CA C 42 56.959 56.959 57.967 -1.008 19614 5236 1 14 . 1 1 42 42 MET CB C 42 32.024 32.024 31.180 0.844 19614 5237 1 14 . 1 1 42 42 MET H H 42 8.335 8.335 8.059 0.276 19614 5238 1 14 . 1 1 43 43 GLU N N 43 121.832 121.832 118.937 2.895 19614 5239 1 14 . 1 1 43 43 GLU HA H 43 4.193 4.193 4.091 0.102 19614 5240 1 14 . 1 1 43 43 GLU C C 43 177.835 177.835 178.995 -1.160 19614 5241 1 14 . 1 1 43 43 GLU CA C 43 58.157 58.157 59.063 -0.906 19614 5242 1 14 . 1 1 43 43 GLU CB C 43 29.543 29.543 28.819 0.724 19614 5243 1 14 . 1 1 43 43 GLU H H 43 8.397 8.397 8.336 0.061 19614 5244 1 14 . 1 1 44 44 LYS N N 44 121.347 121.347 120.822 0.525 19614 5245 1 14 . 1 1 44 44 LYS HA H 44 4.083 4.083 4.106 -0.023 19614 5246 1 14 . 1 1 44 44 LYS C C 44 178.745 178.745 179.146 -0.401 19614 5247 1 14 . 1 1 44 44 LYS CA C 44 58.846 58.846 59.532 -0.686 19614 5248 1 14 . 1 1 44 44 LYS CB C 44 32.493 32.493 32.383 0.110 19614 5249 1 14 . 1 1 44 44 LYS H H 44 8.124 8.124 7.702 0.422 19614 5250 1 14 . 1 1 45 45 ARG N N 45 120.603 120.603 119.455 1.148 19614 5251 1 14 . 1 1 45 45 ARG HA H 45 4.247 4.247 4.006 0.241 19614 5252 1 14 . 1 1 45 45 ARG C C 45 178.025 178.025 178.499 -0.474 19614 5253 1 14 . 1 1 45 45 ARG CA C 45 58.201 58.201 59.694 -1.492 19614 5254 1 14 . 1 1 45 45 ARG CB C 45 29.888 29.888 30.085 -0.197 19614 5255 1 14 . 1 1 45 45 ARG H H 45 8.219 8.219 8.035 0.184 19614 5256 1 14 . 1 1 46 46 ARG N N 46 121.714 121.714 119.964 1.750 19614 5257 1 14 . 1 1 46 46 ARG HA H 46 3.908 3.908 3.983 -0.075 19614 5258 1 14 . 1 1 46 46 ARG C C 46 177.855 177.855 178.443 -0.588 19614 5259 1 14 . 1 1 46 46 ARG CA C 46 59.726 59.726 59.566 0.160 19614 5260 1 14 . 1 1 46 46 ARG CB C 46 30.215 30.215 30.105 0.110 19614 5261 1 14 . 1 1 46 46 ARG H H 46 8.245 8.245 8.460 -0.215 19614 5262 1 14 . 1 1 47 47 ARG N N 47 118.469 118.469 118.987 -0.518 19614 5263 1 14 . 1 1 47 47 ARG HA H 47 3.961 3.961 3.961 0.000 19614 5264 1 14 . 1 1 47 47 ARG C C 47 177.899 177.899 178.483 -0.584 19614 5265 1 14 . 1 1 47 47 ARG CA C 47 58.541 58.541 59.304 -0.763 19614 5266 1 14 . 1 1 47 47 ARG CB C 47 29.704 29.704 30.050 -0.346 19614 5267 1 14 . 1 1 47 47 ARG H H 47 8.233 8.233 8.397 -0.164 19614 5268 1 14 . 1 1 48 48 ALA N N 48 121.720 121.720 122.089 -0.369 19614 5269 1 14 . 1 1 48 48 ALA HA H 48 4.205 4.205 3.973 0.232 19614 5270 1 14 . 1 1 48 48 ALA C C 48 180.284 180.284 179.465 0.819 19614 5271 1 14 . 1 1 48 48 ALA CA C 48 54.815 54.815 55.317 -0.502 19614 5272 1 14 . 1 1 48 48 ALA CB C 48 18.025 18.025 18.339 -0.314 19614 5273 1 14 . 1 1 48 48 ALA H H 48 7.962 7.962 8.270 -0.308 19614 5274 1 14 . 1 1 49 49 ARG N N 49 119.603 119.603 118.346 1.257 19614 5275 1 14 . 1 1 49 49 ARG C C 49 179.589 179.589 179.137 0.452 19614 5276 1 14 . 1 1 49 49 ARG CA C 49 59.291 59.291 59.450 -0.159 19614 5277 1 14 . 1 1 49 49 ARG CB C 49 30.993 30.993 30.147 0.846 19614 5278 1 14 . 1 1 49 49 ARG H H 49 8.103 8.103 7.912 0.191 19614 5279 1 14 . 1 1 50 50 ILE N N 50 121.545 121.545 121.467 0.078 19614 5280 1 14 . 1 1 50 50 ILE HA H 50 3.662 3.662 3.521 0.141 19614 5281 1 14 . 1 1 50 50 ILE C C 50 177.372 177.372 177.722 -0.350 19614 5282 1 14 . 1 1 50 50 ILE CA C 50 65.302 65.302 65.699 -0.397 19614 5283 1 14 . 1 1 50 50 ILE CB C 50 38.216 38.216 37.445 0.771 19614 5284 1 14 . 1 1 50 50 ILE H H 50 8.145 8.145 8.549 -0.404 19614 5285 1 14 . 1 1 51 51 ASN N N 51 117.894 117.894 118.347 -0.453 19614 5286 1 14 . 1 1 51 51 ASN HA H 51 4.407 4.407 4.376 0.031 19614 5287 1 14 . 1 1 51 51 ASN C C 51 178.725 178.725 178.228 0.497 19614 5288 1 14 . 1 1 51 51 ASN CA C 51 56.205 56.205 56.669 -0.464 19614 5289 1 14 . 1 1 51 51 ASN CB C 51 37.594 37.594 38.258 -0.663 19614 5290 1 14 . 1 1 51 51 ASN H H 51 8.431 8.431 8.295 0.136 19614 5291 1 14 . 1 1 52 52 GLU N N 52 121.612 121.612 120.794 0.818 19614 5292 1 14 . 1 1 52 52 GLU HA H 52 4.205 4.205 4.084 0.121 19614 5293 1 14 . 1 1 52 52 GLU C C 52 179.243 179.243 179.262 -0.019 19614 5294 1 14 . 1 1 52 52 GLU CA C 52 59.291 59.291 59.443 -0.152 19614 5295 1 14 . 1 1 52 52 GLU CB C 52 29.101 29.101 29.198 -0.097 19614 5296 1 14 . 1 1 52 52 GLU H H 52 8.299 8.299 8.642 -0.343 19614 5297 1 14 . 1 1 53 53 SER N N 53 116.604 116.604 116.428 0.176 19614 5298 1 14 . 1 1 53 53 SER C C 53 176.283 176.283 176.808 -0.525 19614 5299 1 14 . 1 1 53 53 SER CA C 53 63.032 63.032 61.724 1.308 19614 5300 1 14 . 1 1 53 53 SER H H 53 8.254 8.254 8.306 -0.052 19614 5301 1 14 . 1 1 54 54 LEU N N 54 121.925 121.925 122.802 -0.877 19614 5302 1 14 . 1 1 54 54 LEU HA H 54 3.962 3.962 3.968 -0.006 19614 5303 1 14 . 1 1 54 54 LEU C C 54 178.897 178.897 178.140 0.757 19614 5304 1 14 . 1 1 54 54 LEU CA C 54 58.116 58.116 58.163 -0.047 19614 5305 1 14 . 1 1 54 54 LEU CB C 54 41.576 41.576 42.013 -0.437 19614 5306 1 14 . 1 1 54 54 LEU H H 54 8.693 8.693 8.462 0.231 19614 5307 1 14 . 1 1 55 55 SER N N 55 114.515 114.515 114.598 -0.083 19614 5308 1 14 . 1 1 55 55 SER HA H 55 4.181 4.181 4.096 0.085 19614 5309 1 14 . 1 1 55 55 SER C C 55 177.381 177.381 176.526 0.855 19614 5310 1 14 . 1 1 55 55 SER CA C 55 61.568 61.568 62.799 -1.231 19614 5311 1 14 . 1 1 55 55 SER CB C 55 62.527 62.527 63.142 -0.615 19614 5312 1 14 . 1 1 55 55 SER H H 55 7.823 7.823 8.227 -0.404 19614 5313 1 14 . 1 1 56 56 GLN N N 56 120.605 120.605 121.258 -0.653 19614 5314 1 14 . 1 1 56 56 GLN HA H 56 4.087 4.087 4.119 -0.032 19614 5315 1 14 . 1 1 56 56 GLN C C 56 178.904 178.904 178.004 0.900 19614 5316 1 14 . 1 1 56 56 GLN CA C 56 58.679 58.679 58.278 0.401 19614 5317 1 14 . 1 1 56 56 GLN CB C 56 28.669 28.669 28.421 0.249 19614 5318 1 14 . 1 1 56 56 GLN H H 56 7.886 7.886 7.728 0.158 19614 5319 1 14 . 1 1 57 57 LEU N N 57 120.488 120.488 122.714 -2.226 19614 5320 1 14 . 1 1 57 57 LEU HA H 57 3.953 3.953 3.906 0.047 19614 5321 1 14 . 1 1 57 57 LEU C C 57 177.406 177.406 178.379 -0.973 19614 5322 1 14 . 1 1 57 57 LEU CA C 57 57.957 57.957 58.359 -0.402 19614 5323 1 14 . 1 1 57 57 LEU CB C 57 41.486 41.486 42.025 -0.539 19614 5324 1 14 . 1 1 57 57 LEU H H 57 8.845 8.845 8.207 0.638 19614 5325 1 14 . 1 1 58 58 LYS N N 58 118.053 118.053 116.797 1.256 19614 5326 1 14 . 1 1 58 58 LYS C C 58 176.891 176.891 179.214 -2.323 19614 5327 1 14 . 1 1 58 58 LYS CA C 58 60.535 60.535 59.104 1.431 19614 5328 1 14 . 1 1 58 58 LYS CB C 58 31.903 31.903 31.812 0.091 19614 5329 1 14 . 1 1 58 58 LYS H H 58 8.145 8.145 7.939 0.206 19614 5330 1 14 . 1 1 59 59 THR N N 59 112.948 112.948 118.230 -5.282 19614 5331 1 14 . 1 1 59 59 THR HA H 59 3.812 3.812 4.075 -0.263 19614 5332 1 14 . 1 1 59 59 THR C C 59 176.273 176.273 176.622 -0.349 19614 5333 1 14 . 1 1 59 59 THR CA C 59 66.367 66.367 66.385 -0.018 19614 5334 1 14 . 1 1 59 59 THR CB C 59 68.902 68.902 68.819 0.083 19614 5335 1 14 . 1 1 59 59 THR H H 59 7.393 7.393 7.686 -0.293 19614 5336 1 14 . 1 1 60 60 LEU N N 60 120.435 120.435 122.127 -1.692 19614 5337 1 14 . 1 1 60 60 LEU HA H 60 4.066 4.066 4.153 -0.087 19614 5338 1 14 . 1 1 60 60 LEU C C 60 179.994 179.994 179.207 0.787 19614 5339 1 14 . 1 1 60 60 LEU CA C 60 58.096 58.096 57.791 0.305 19614 5340 1 14 . 1 1 60 60 LEU CB C 60 43.107 43.107 40.826 2.281 19614 5341 1 14 . 1 1 60 60 LEU H H 60 8.005 8.005 8.654 -0.649 19614 5342 1 14 . 1 1 61 61 ILE N N 61 120.041 120.041 119.460 0.581 19614 5343 1 14 . 1 1 61 61 ILE HA H 61 3.934 3.934 3.826 0.108 19614 5344 1 14 . 1 1 61 61 ILE C C 61 176.957 176.957 178.368 -1.411 19614 5345 1 14 . 1 1 61 61 ILE CA C 61 60.979 60.979 63.594 -2.615 19614 5346 1 14 . 1 1 61 61 ILE CB C 61 37.229 37.229 36.543 0.686 19614 5347 1 14 . 1 1 61 61 ILE H H 61 8.847 8.847 8.129 0.718 19614 5348 1 14 . 1 1 62 62 LEU N N 62 121.236 121.236 122.286 -1.050 19614 5349 1 14 . 1 1 62 62 LEU HA H 62 3.909 3.909 4.000 -0.091 19614 5350 1 14 . 1 1 62 62 LEU C C 62 179.562 179.562 178.544 1.018 19614 5351 1 14 . 1 1 62 62 LEU CA C 62 58.035 58.035 58.482 -0.447 19614 5352 1 14 . 1 1 62 62 LEU CB C 62 40.219 40.219 40.817 -0.598 19614 5353 1 14 . 1 1 62 62 LEU H H 62 7.944 7.944 8.143 -0.199 19614 5354 1 14 . 1 1 63 63 ASP N N 63 117.983 117.983 119.591 -1.608 19614 5355 1 14 . 1 1 63 63 ASP HA H 63 4.458 4.458 4.362 0.096 19614 5356 1 14 . 1 1 63 63 ASP C C 63 178.858 178.858 177.892 0.966 19614 5357 1 14 . 1 1 63 63 ASP CA C 63 56.964 56.964 56.844 0.120 19614 5358 1 14 . 1 1 63 63 ASP CB C 63 40.822 40.822 41.096 -0.274 19614 5359 1 14 . 1 1 63 63 ASP H H 63 7.844 7.844 8.046 -0.202 19614 5360 1 14 . 1 1 64 64 ALA N N 64 122.425 122.425 120.790 1.635 19614 5361 1 14 . 1 1 64 64 ALA HA H 64 4.086 4.086 4.110 -0.024 19614 5362 1 14 . 1 1 64 64 ALA C C 64 179.354 179.354 178.864 0.490 19614 5363 1 14 . 1 1 64 64 ALA CA C 64 54.396 54.396 54.256 0.140 19614 5364 1 14 . 1 1 64 64 ALA CB C 64 17.785 17.785 19.099 -1.313 19614 5365 1 14 . 1 1 64 64 ALA H H 64 7.869 7.869 8.158 -0.289 19614 5366 1 14 . 1 1 65 65 LEU N N 65 116.489 116.489 114.308 2.181 19614 5367 1 14 . 1 1 65 65 LEU HA H 65 4.222 4.222 4.345 -0.123 19614 5368 1 14 . 1 1 65 65 LEU C C 65 176.661 176.661 176.005 0.656 19614 5369 1 14 . 1 1 65 65 LEU CA C 65 54.642 54.642 54.650 -0.008 19614 5370 1 14 . 1 1 65 65 LEU CB C 65 41.957 41.957 43.177 -1.220 19614 5371 1 14 . 1 1 65 65 LEU H H 65 7.669 7.669 7.431 0.238 19614 5372 1 14 . 1 1 66 66 LYS N N 66 118.229 118.229 116.455 1.774 19614 5373 1 14 . 1 1 66 66 LYS HA H 66 4.058 4.058 3.972 0.086 19614 5374 1 14 . 1 1 66 66 LYS C C 66 176.651 176.651 176.048 0.603 19614 5375 1 14 . 1 1 66 66 LYS CA C 66 57.100 57.100 57.359 -0.259 19614 5376 1 14 . 1 1 66 66 LYS CB C 66 30.249 30.249 28.870 1.379 19614 5377 1 14 . 1 1 66 66 LYS H H 66 7.806 7.806 8.102 -0.296 19614 5378 1 14 . 1 1 67 67 LYS N N 67 119.380 119.380 119.027 0.353 19614 5379 1 14 . 1 1 67 67 LYS HA H 67 4.278 4.278 4.145 0.133 19614 5380 1 14 . 1 1 67 67 LYS C C 67 176.163 176.163 176.920 -0.757 19614 5381 1 14 . 1 1 67 67 LYS CA C 67 55.658 55.658 58.215 -2.557 19614 5382 1 14 . 1 1 67 67 LYS CB C 67 33.462 33.462 33.063 0.399 19614 5383 1 14 . 1 1 67 67 LYS H H 67 8.249 8.249 8.085 0.164 19614 5384 1 14 . 1 1 68 68 ASP N N 68 120.812 120.812 114.197 6.615 19614 5385 1 14 . 1 1 68 68 ASP HA H 68 4.601 4.601 4.716 -0.115 19614 5386 1 14 . 1 1 68 68 ASP C C 68 177.001 177.001 175.251 1.750 19614 5387 1 14 . 1 1 68 68 ASP CA C 68 54.192 54.192 54.003 0.189 19614 5388 1 14 . 1 1 68 68 ASP CB C 68 41.383 41.383 42.958 -1.575 19614 5389 1 14 . 1 1 68 68 ASP H H 68 8.350 8.350 7.828 0.522 19614 5390 1 14 . 1 1 69 69 SER N N 69 119.061 119.061 118.165 0.896 19614 5391 1 14 . 1 1 69 69 SER HA H 69 4.199 4.199 4.424 -0.225 19614 5392 1 14 . 1 1 69 69 SER C C 69 175.643 175.643 176.138 -0.495 19614 5393 1 14 . 1 1 69 69 SER CA C 69 59.636 59.636 60.613 -0.977 19614 5394 1 14 . 1 1 69 69 SER CB C 69 63.237 63.237 63.767 -0.529 19614 5395 1 14 . 1 1 69 69 SER H H 69 8.608 8.608 8.590 0.018 19614 5396 1 14 . 1 1 70 70 SER N N 70 118.325 118.325 119.361 -1.036 19614 5397 1 14 . 1 1 70 70 SER HA H 70 4.335 4.335 4.327 0.008 19614 5398 1 14 . 1 1 70 70 SER C C 70 175.275 175.275 175.558 -0.283 19614 5399 1 14 . 1 1 70 70 SER CA C 70 59.700 59.700 61.730 -2.030 19614 5400 1 14 . 1 1 70 70 SER CB C 70 63.243 63.243 63.159 0.084 19614 5401 1 14 . 1 1 70 70 SER H H 70 8.514 8.514 9.155 -0.641 19614 5402 1 14 . 1 1 71 71 ARG N N 71 121.317 121.317 118.540 2.777 19614 5403 1 14 . 1 1 71 71 ARG HA H 71 4.231 4.231 4.261 -0.030 19614 5404 1 14 . 1 1 71 71 ARG C C 71 176.223 176.223 176.841 -0.618 19614 5405 1 14 . 1 1 71 71 ARG CA C 71 56.368 56.368 57.615 -1.247 19614 5406 1 14 . 1 1 71 71 ARG CB C 71 30.148 30.148 29.043 1.105 19614 5407 1 14 . 1 1 71 71 ARG H H 71 7.965 7.965 8.448 -0.483 19614 5408 1 14 . 1 1 72 72 HIS N N 72 118.894 118.894 116.726 2.168 19614 5409 1 14 . 1 1 72 72 HIS HA H 72 4.663 4.663 4.477 0.186 19614 5410 1 14 . 1 1 72 72 HIS C C 72 175.122 175.122 175.974 -0.852 19614 5411 1 14 . 1 1 72 72 HIS CA C 72 55.935 55.935 58.270 -2.335 19614 5412 1 14 . 1 1 72 72 HIS CB C 72 29.974 29.974 30.518 -0.544 19614 5413 1 14 . 1 1 72 72 HIS H H 72 8.036 8.036 7.672 0.364 19614 5414 1 14 . 1 1 73 73 SER N N 73 116.302 116.302 114.613 1.689 19614 5415 1 14 . 1 1 73 73 SER HA H 73 4.313 4.313 4.343 -0.030 19614 5416 1 14 . 1 1 73 73 SER C C 73 174.559 174.559 175.288 -0.729 19614 5417 1 14 . 1 1 73 73 SER CA C 73 59.297 59.297 59.459 -0.162 19614 5418 1 14 . 1 1 73 73 SER CB C 73 63.522 63.522 63.718 -0.196 19614 5419 1 14 . 1 1 73 73 SER H H 73 8.029 8.029 7.701 0.328 19614 5420 1 14 . 1 1 74 74 LYS N N 74 122.545 122.545 120.951 1.594 19614 5421 1 14 . 1 1 74 74 LYS HA H 74 4.336 4.336 4.441 -0.105 19614 5422 1 14 . 1 1 74 74 LYS C C 74 175.929 175.929 175.381 0.548 19614 5423 1 14 . 1 1 74 74 LYS CA C 74 55.918 55.918 54.573 1.345 19614 5424 1 14 . 1 1 74 74 LYS CB C 74 32.143 32.143 32.259 -0.116 19614 5425 1 14 . 1 1 74 74 LYS H H 74 8.394 8.394 7.573 0.821 19614 5426 1 14 . 1 1 75 75 LEU N N 75 123.393 123.393 122.066 1.327 19614 5427 1 14 . 1 1 75 75 LEU HA H 75 4.402 4.402 4.502 -0.100 19614 5428 1 14 . 1 1 75 75 LEU C C 75 176.575 176.575 176.303 0.272 19614 5429 1 14 . 1 1 75 75 LEU CA C 75 54.697 54.697 53.636 1.061 19614 5430 1 14 . 1 1 75 75 LEU CB C 75 43.481 43.481 42.413 1.068 19614 5431 1 14 . 1 1 75 75 LEU H H 75 7.943 7.943 7.683 0.260 19614 5432 1 14 . 1 1 76 76 GLU N N 76 123.357 123.357 125.533 -2.176 19614 5433 1 14 . 1 1 76 76 GLU HA H 76 4.551 4.551 4.404 0.147 19614 5434 1 14 . 1 1 76 76 GLU C C 76 177.445 177.445 177.380 0.065 19614 5435 1 14 . 1 1 76 76 GLU CA C 76 54.962 54.962 55.325 -0.363 19614 5436 1 14 . 1 1 76 76 GLU CB C 76 31.245 31.245 31.032 0.213 19614 5437 1 14 . 1 1 76 76 GLU H H 76 9.136 9.136 8.291 0.845 19614 5438 1 14 . 1 1 77 77 LYS N N 77 122.655 122.655 124.333 -1.678 19614 5439 1 14 . 1 1 77 77 LYS HA H 77 3.830 3.830 3.853 -0.023 19614 5440 1 14 . 1 1 77 77 LYS C C 77 177.908 177.908 178.297 -0.389 19614 5441 1 14 . 1 1 77 77 LYS CA C 77 61.105 61.105 60.339 0.766 19614 5442 1 14 . 1 1 77 77 LYS CB C 77 32.423 32.423 32.376 0.047 19614 5443 1 14 . 1 1 77 77 LYS H H 77 8.858 8.858 8.836 0.022 19614 5444 1 14 . 1 1 78 78 ALA N N 78 118.008 118.008 118.676 -0.668 19614 5445 1 14 . 1 1 78 78 ALA HA H 78 3.892 3.892 4.169 -0.277 19614 5446 1 14 . 1 1 78 78 ALA C C 78 179.758 179.758 179.615 0.143 19614 5447 1 14 . 1 1 78 78 ALA CA C 78 55.456 55.456 54.732 0.724 19614 5448 1 14 . 1 1 78 78 ALA CB C 78 17.839 17.839 18.002 -0.163 19614 5449 1 14 . 1 1 78 78 ALA H H 78 9.131 9.131 8.390 0.741 19614 5450 1 14 . 1 1 79 79 ASP N N 79 114.744 114.744 119.286 -4.542 19614 5451 1 14 . 1 1 79 79 ASP HA H 79 4.346 4.346 4.496 -0.150 19614 5452 1 14 . 1 1 79 79 ASP C C 79 178.104 178.104 178.430 -0.326 19614 5453 1 14 . 1 1 79 79 ASP CA C 79 57.088 57.088 56.920 0.168 19614 5454 1 14 . 1 1 79 79 ASP CB C 79 41.728 41.728 41.013 0.715 19614 5455 1 14 . 1 1 79 79 ASP H H 79 7.052 7.052 7.678 -0.626 19614 5456 1 14 . 1 1 80 80 ILE N N 80 119.398 119.398 120.943 -1.545 19614 5457 1 14 . 1 1 80 80 ILE HA H 80 3.592 3.592 3.585 0.007 19614 5458 1 14 . 1 1 80 80 ILE C C 80 179.567 179.567 177.921 1.646 19614 5459 1 14 . 1 1 80 80 ILE CA C 80 64.201 64.201 65.708 -1.507 19614 5460 1 14 . 1 1 80 80 ILE CB C 80 37.514 37.514 38.127 -0.613 19614 5461 1 14 . 1 1 80 80 ILE H H 80 7.983 7.983 8.077 -0.094 19614 5462 1 14 . 1 1 81 81 LEU N N 81 120.930 120.930 119.567 1.363 19614 5463 1 14 . 1 1 81 81 LEU HA H 81 3.931 3.931 3.801 0.130 19614 5464 1 14 . 1 1 81 81 LEU C C 81 178.312 178.312 178.774 -0.462 19614 5465 1 14 . 1 1 81 81 LEU CA C 81 58.588 58.588 58.365 0.223 19614 5466 1 14 . 1 1 81 81 LEU CB C 81 41.727 41.727 41.239 0.488 19614 5467 1 14 . 1 1 81 81 LEU H H 81 8.171 8.171 8.232 -0.061 19614 5468 1 14 . 1 1 82 82 GLU N N 82 119.314 119.314 119.287 0.027 19614 5469 1 14 . 1 1 82 82 GLU HA H 82 3.917 3.917 3.859 0.058 19614 5470 1 14 . 1 1 82 82 GLU C C 82 180.151 180.151 178.759 1.392 19614 5471 1 14 . 1 1 82 82 GLU CA C 82 59.864 59.864 59.459 0.405 19614 5472 1 14 . 1 1 82 82 GLU CB C 82 29.364 29.364 29.519 -0.155 19614 5473 1 14 . 1 1 82 82 GLU H H 82 7.984 7.984 7.953 0.031 19614 5474 1 14 . 1 1 83 83 MET N N 83 118.669 118.669 119.338 -0.669 19614 5475 1 14 . 1 1 83 83 MET HA H 83 4.033 4.033 3.940 0.093 19614 5476 1 14 . 1 1 83 83 MET C C 83 178.488 178.488 177.888 0.600 19614 5477 1 14 . 1 1 83 83 MET CA C 83 59.083 59.083 58.118 0.965 19614 5478 1 14 . 1 1 83 83 MET CB C 83 33.883 33.883 32.042 1.841 19614 5479 1 14 . 1 1 83 83 MET H H 83 8.639 8.639 7.570 1.069 19614 5480 1 14 . 1 1 84 84 THR N N 84 118.733 118.733 116.381 2.352 19614 5481 1 14 . 1 1 84 84 THR HA H 84 3.853 3.853 3.917 -0.064 19614 5482 1 14 . 1 1 84 84 THR C C 84 175.659 175.659 176.831 -1.172 19614 5483 1 14 . 1 1 84 84 THR CA C 84 68.029 68.029 67.375 0.654 19614 5484 1 14 . 1 1 84 84 THR CB C 84 67.595 67.595 68.403 -0.808 19614 5485 1 14 . 1 1 84 84 THR H H 84 7.946 7.946 7.700 0.246 19614 5486 1 14 . 1 1 85 85 VAL N N 85 122.083 122.083 121.308 0.775 19614 5487 1 14 . 1 1 85 85 VAL HA H 85 3.311 3.311 3.620 -0.309 19614 5488 1 14 . 1 1 85 85 VAL C C 85 177.078 177.078 177.502 -0.424 19614 5489 1 14 . 1 1 85 85 VAL CA C 85 67.381 67.381 66.986 0.395 19614 5490 1 14 . 1 1 85 85 VAL CB C 85 32.168 32.168 31.343 0.825 19614 5491 1 14 . 1 1 85 85 VAL H H 85 8.089 8.089 7.988 0.101 19614 5492 1 14 . 1 1 86 86 LYS N N 86 117.409 117.409 119.047 -1.638 19614 5493 1 14 . 1 1 86 86 LYS HA H 86 3.835 3.835 4.089 -0.254 19614 5494 1 14 . 1 1 86 86 LYS C C 86 178.617 178.617 179.507 -0.890 19614 5495 1 14 . 1 1 86 86 LYS CA C 86 60.014 60.014 59.337 0.677 19614 5496 1 14 . 1 1 86 86 LYS CB C 86 32.336 32.336 32.214 0.122 19614 5497 1 14 . 1 1 86 86 LYS H H 86 7.785 7.785 8.338 -0.553 19614 5498 1 14 . 1 1 87 87 HIS N N 87 118.731 118.731 118.873 -0.142 19614 5499 1 14 . 1 1 87 87 HIS HA H 87 4.513 4.513 4.487 0.026 19614 5500 1 14 . 1 1 87 87 HIS C C 87 177.356 177.356 177.257 0.099 19614 5501 1 14 . 1 1 87 87 HIS CA C 87 59.368 59.368 57.106 2.262 19614 5502 1 14 . 1 1 87 87 HIS CB C 87 32.047 32.047 29.296 2.751 19614 5503 1 14 . 1 1 87 87 HIS H H 87 8.055 8.055 8.247 -0.192 19614 5504 1 14 . 1 1 88 88 LEU N N 88 117.189 117.189 121.416 -4.227 19614 5505 1 14 . 1 1 88 88 LEU C C 88 180.158 180.158 178.275 1.883 19614 5506 1 14 . 1 1 88 88 LEU CA C 88 57.927 57.927 58.147 -0.220 19614 5507 1 14 . 1 1 88 88 LEU CB C 88 41.748 41.748 41.881 -0.133 19614 5508 1 14 . 1 1 88 88 LEU H H 88 8.450 8.450 7.937 0.513 19614 5509 1 14 . 1 1 89 89 ARG N N 89 119.542 119.542 118.677 0.865 19614 5510 1 14 . 1 1 89 89 ARG HA H 89 3.901 3.901 3.954 -0.053 19614 5511 1 14 . 1 1 89 89 ARG C C 89 178.875 178.875 178.876 -0.001 19614 5512 1 14 . 1 1 89 89 ARG CA C 89 59.667 59.667 58.525 1.142 19614 5513 1 14 . 1 1 89 89 ARG CB C 89 29.542 29.542 28.904 0.638 19614 5514 1 14 . 1 1 89 89 ARG H H 89 8.616 8.616 7.861 0.755 19614 5515 1 14 . 1 1 90 90 ASN N N 90 118.676 118.676 118.777 -0.101 19614 5516 1 14 . 1 1 90 90 ASN HA H 90 4.478 4.478 4.506 -0.028 19614 5517 1 14 . 1 1 90 90 ASN C C 90 177.824 177.824 178.062 -0.238 19614 5518 1 14 . 1 1 90 90 ASN CA C 90 55.393 55.393 55.900 -0.507 19614 5519 1 14 . 1 1 90 90 ASN CB C 90 37.874 37.874 38.025 -0.151 19614 5520 1 14 . 1 1 90 90 ASN H H 90 7.935 7.935 7.755 0.180 19614 5521 1 14 . 1 1 91 91 LEU N N 91 119.885 119.885 120.927 -1.042 19614 5522 1 14 . 1 1 91 91 LEU HA H 91 4.045 4.045 4.101 -0.056 19614 5523 1 14 . 1 1 91 91 LEU C C 91 178.707 178.707 179.528 -0.821 19614 5524 1 14 . 1 1 91 91 LEU CA C 91 56.705 56.705 57.928 -1.223 19614 5525 1 14 . 1 1 91 91 LEU CB C 91 41.918 41.918 41.787 0.131 19614 5526 1 14 . 1 1 91 91 LEU H H 91 7.890 7.890 8.484 -0.594 19614 5527 1 14 . 1 1 92 92 GLN N N 92 118.288 118.288 118.389 -0.101 19614 5528 1 14 . 1 1 92 92 GLN HA H 92 4.149 4.149 4.143 0.006 19614 5529 1 14 . 1 1 92 92 GLN C C 92 176.562 176.562 178.227 -1.665 19614 5530 1 14 . 1 1 92 92 GLN CA C 92 57.055 57.055 58.301 -1.246 19614 5531 1 14 . 1 1 92 92 GLN CB C 92 28.937 28.937 28.283 0.654 19614 5532 1 14 . 1 1 92 92 GLN H H 92 7.683 7.683 8.412 -0.729 19614 5533 1 14 . 1 1 93 93 ARG N N 93 119.664 119.664 116.646 3.018 19614 5534 1 14 . 1 1 93 93 ARG HA H 93 4.238 4.238 4.426 -0.188 19614 5535 1 14 . 1 1 93 93 ARG C C 93 175.928 175.928 176.907 -0.979 19614 5536 1 14 . 1 1 93 93 ARG CA C 93 56.467 56.467 56.914 -0.447 19614 5537 1 14 . 1 1 93 93 ARG CB C 93 30.459 30.459 29.304 1.155 19614 5538 1 14 . 1 1 93 93 ARG H H 93 7.786 7.786 8.050 -0.264 19614 5539 1 14 . 1 1 94 94 ALA N N 94 124.562 124.562 122.193 2.369 19614 5540 1 14 . 1 1 94 94 ALA HA H 94 4.308 4.308 4.277 0.031 19614 5541 1 14 . 1 1 94 94 ALA C C 94 176.753 176.753 177.502 -0.749 19614 5542 1 14 . 1 1 94 94 ALA CA C 94 52.465 52.465 53.206 -0.741 19614 5543 1 14 . 1 1 94 94 ALA CB C 94 19.023 19.023 19.251 -0.228 19614 5544 1 14 . 1 1 94 94 ALA H H 94 8.017 8.017 7.796 0.221 19614 5545 1 15 . 1 1 27 27 LYS HA H 27 4.626 4.626 4.276 0.350 19614 5546 1 15 . 1 1 27 27 LYS CA C 27 54.410 54.410 56.219 -1.810 19614 5547 1 15 . 1 1 27 27 LYS CB C 27 32.346 32.346 31.820 0.526 19614 5548 1 15 . 1 1 28 28 PRO HA H 28 4.402 4.402 4.586 -0.184 19614 5549 1 15 . 1 1 28 28 PRO C C 28 176.815 176.815 176.758 0.057 19614 5550 1 15 . 1 1 28 28 PRO CA C 28 62.876 62.876 62.701 0.175 19614 5551 1 15 . 1 1 28 28 PRO CB C 28 32.162 32.162 31.732 0.430 19614 5552 1 15 . 1 1 29 29 LYS N N 29 122.449 122.449 125.445 -2.996 19614 5553 1 15 . 1 1 29 29 LYS HA H 29 4.297 4.297 4.298 -0.001 19614 5554 1 15 . 1 1 29 29 LYS C C 29 176.961 176.961 177.303 -0.342 19614 5555 1 15 . 1 1 29 29 LYS CA C 29 56.463 56.463 57.615 -1.152 19614 5556 1 15 . 1 1 29 29 LYS CB C 29 32.816 32.816 33.067 -0.251 19614 5557 1 15 . 1 1 29 29 LYS H H 29 8.586 8.586 8.684 -0.098 19614 5558 1 15 . 1 1 30 30 THR N N 30 115.695 115.695 111.347 4.348 19614 5559 1 15 . 1 1 30 30 THR HA H 30 4.293 4.293 4.345 -0.052 19614 5560 1 15 . 1 1 30 30 THR C C 30 174.354 174.354 172.896 1.458 19614 5561 1 15 . 1 1 30 30 THR CA C 30 61.555 61.555 62.939 -1.384 19614 5562 1 15 . 1 1 30 30 THR CB C 30 69.949 69.949 68.887 1.062 19614 5563 1 15 . 1 1 30 30 THR H H 30 8.219 8.219 8.313 -0.094 19614 5564 1 15 . 1 1 31 31 ALA N N 31 125.923 125.923 125.034 0.889 19614 5565 1 15 . 1 1 31 31 ALA HA H 31 4.312 4.312 4.586 -0.274 19614 5566 1 15 . 1 1 31 31 ALA C C 31 178.014 178.014 176.641 1.373 19614 5567 1 15 . 1 1 31 31 ALA CA C 31 52.781 52.781 52.104 0.677 19614 5568 1 15 . 1 1 31 31 ALA CB C 31 19.125 19.125 20.302 -1.177 19614 5569 1 15 . 1 1 31 31 ALA H H 31 8.505 8.505 7.804 0.701 19614 5570 1 15 . 1 1 32 32 SER N N 32 115.249 115.249 118.970 -3.721 19614 5571 1 15 . 1 1 32 32 SER HA H 32 4.338 4.338 4.475 -0.137 19614 5572 1 15 . 1 1 32 32 SER C C 32 174.783 174.783 174.484 0.299 19614 5573 1 15 . 1 1 32 32 SER CA C 32 58.633 58.633 57.459 1.174 19614 5574 1 15 . 1 1 32 32 SER CB C 32 63.475 63.475 63.671 -0.196 19614 5575 1 15 . 1 1 32 32 SER H H 32 8.365 8.365 8.549 -0.184 19614 5576 1 15 . 1 1 33 33 GLU N N 33 122.748 122.748 128.275 -5.527 19614 5577 1 15 . 1 1 33 33 GLU HA H 33 4.205 4.205 4.331 -0.126 19614 5578 1 15 . 1 1 33 33 GLU C C 33 176.411 176.411 175.960 0.451 19614 5579 1 15 . 1 1 33 33 GLU CA C 33 56.678 56.678 56.692 -0.014 19614 5580 1 15 . 1 1 33 33 GLU CB C 33 30.241 30.241 29.626 0.615 19614 5581 1 15 . 1 1 33 33 GLU H H 33 8.390 8.390 8.746 -0.356 19614 5582 1 15 . 1 1 34 34 HIS N N 34 120.453 120.453 124.936 -4.483 19614 5583 1 15 . 1 1 34 34 HIS HA H 34 4.605 4.605 4.488 0.117 19614 5584 1 15 . 1 1 34 34 HIS C C 34 175.167 175.167 175.874 -0.707 19614 5585 1 15 . 1 1 34 34 HIS CA C 34 56.035 56.035 58.762 -2.727 19614 5586 1 15 . 1 1 34 34 HIS CB C 34 29.938 29.938 30.909 -0.971 19614 5587 1 15 . 1 1 34 34 HIS H H 34 8.431 8.431 8.657 -0.226 19614 5588 1 15 . 1 1 35 35 ARG N N 35 122.797 122.797 119.699 3.098 19614 5589 1 15 . 1 1 35 35 ARG HA H 35 4.261 4.261 4.333 -0.072 19614 5590 1 15 . 1 1 35 35 ARG C C 35 176.411 176.411 175.950 0.461 19614 5591 1 15 . 1 1 35 35 ARG CA C 35 56.306 56.306 57.133 -0.827 19614 5592 1 15 . 1 1 35 35 ARG CB C 35 30.587 30.587 30.925 -0.338 19614 5593 1 15 . 1 1 35 35 ARG H H 35 8.419 8.419 8.532 -0.113 19614 5594 1 15 . 1 1 36 36 LYS N N 36 122.974 122.974 120.996 1.978 19614 5595 1 15 . 1 1 36 36 LYS HA H 36 4.288 4.288 4.413 -0.125 19614 5596 1 15 . 1 1 36 36 LYS C C 36 176.738 176.738 176.690 0.048 19614 5597 1 15 . 1 1 36 36 LYS CA C 36 56.514 56.514 55.200 1.314 19614 5598 1 15 . 1 1 36 36 LYS CB C 36 32.857 32.857 30.815 2.042 19614 5599 1 15 . 1 1 36 36 LYS H H 36 8.482 8.482 8.171 0.311 19614 5600 1 15 . 1 1 37 37 SER N N 37 117.137 117.137 121.015 -3.878 19614 5601 1 15 . 1 1 37 37 SER HA H 37 4.469 4.469 4.432 0.037 19614 5602 1 15 . 1 1 37 37 SER C C 37 174.495 174.495 174.383 0.112 19614 5603 1 15 . 1 1 37 37 SER CA C 37 58.115 58.115 59.029 -0.914 19614 5604 1 15 . 1 1 37 37 SER CB C 37 63.627 63.627 63.347 0.280 19614 5605 1 15 . 1 1 37 37 SER H H 37 8.410 8.410 8.182 0.228 19614 5606 1 15 . 1 1 38 38 SER N N 38 118.622 118.622 111.561 7.061 19614 5607 1 15 . 1 1 38 38 SER HA H 38 4.467 4.467 4.234 0.233 19614 5608 1 15 . 1 1 38 38 SER C C 38 174.332 174.332 173.608 0.724 19614 5609 1 15 . 1 1 38 38 SER CA C 38 58.187 58.187 59.434 -1.247 19614 5610 1 15 . 1 1 38 38 SER CB C 38 63.703 63.703 62.370 1.333 19614 5611 1 15 . 1 1 38 38 SER H H 38 8.456 8.456 8.452 0.004 19614 5612 1 15 . 1 1 39 39 LYS N N 39 124.176 124.176 121.127 3.049 19614 5613 1 15 . 1 1 39 39 LYS HA H 39 4.478 4.478 4.680 -0.202 19614 5614 1 15 . 1 1 39 39 LYS C C 39 174.904 174.904 175.774 -0.870 19614 5615 1 15 . 1 1 39 39 LYS CA C 39 56.707 56.707 53.943 2.764 19614 5616 1 15 . 1 1 39 39 LYS CB C 39 31.595 31.595 32.120 -0.525 19614 5617 1 15 . 1 1 39 39 LYS H H 39 8.489 8.489 7.931 0.558 19614 5618 1 15 . 1 1 40 40 PRO HA H 40 4.401 4.401 4.296 0.105 19614 5619 1 15 . 1 1 40 40 PRO C C 40 178.173 178.173 178.819 -0.646 19614 5620 1 15 . 1 1 40 40 PRO CA C 40 64.315 64.315 65.435 -1.120 19614 5621 1 15 . 1 1 40 40 PRO CB C 40 31.675 31.675 31.951 -0.276 19614 5622 1 15 . 1 1 41 41 ILE N N 41 120.414 120.414 117.472 2.942 19614 5623 1 15 . 1 1 41 41 ILE HA H 41 3.967 3.967 3.975 -0.008 19614 5624 1 15 . 1 1 41 41 ILE C C 41 177.393 177.393 177.454 -0.061 19614 5625 1 15 . 1 1 41 41 ILE CA C 41 62.575 62.575 64.375 -1.800 19614 5626 1 15 . 1 1 41 41 ILE CB C 41 37.900 37.900 37.823 0.077 19614 5627 1 15 . 1 1 41 41 ILE H H 41 8.011 8.011 7.808 0.203 19614 5628 1 15 . 1 1 42 42 MET N N 42 122.411 122.411 118.647 3.764 19614 5629 1 15 . 1 1 42 42 MET HA H 42 4.330 4.330 4.215 0.115 19614 5630 1 15 . 1 1 42 42 MET C C 42 178.050 178.050 178.686 -0.636 19614 5631 1 15 . 1 1 42 42 MET CA C 42 56.959 56.959 57.965 -1.006 19614 5632 1 15 . 1 1 42 42 MET CB C 42 32.024 32.024 31.155 0.869 19614 5633 1 15 . 1 1 42 42 MET H H 42 8.335 8.335 8.063 0.272 19614 5634 1 15 . 1 1 43 43 GLU N N 43 121.832 121.832 118.380 3.452 19614 5635 1 15 . 1 1 43 43 GLU HA H 43 4.193 4.193 4.056 0.137 19614 5636 1 15 . 1 1 43 43 GLU C C 43 177.835 177.835 178.777 -0.942 19614 5637 1 15 . 1 1 43 43 GLU CA C 43 58.157 58.157 59.146 -0.989 19614 5638 1 15 . 1 1 43 43 GLU CB C 43 29.543 29.543 28.851 0.692 19614 5639 1 15 . 1 1 43 43 GLU H H 43 8.397 8.397 8.846 -0.449 19614 5640 1 15 . 1 1 44 44 LYS N N 44 121.347 121.347 121.212 0.135 19614 5641 1 15 . 1 1 44 44 LYS HA H 44 4.083 4.083 4.068 0.015 19614 5642 1 15 . 1 1 44 44 LYS C C 44 178.745 178.745 178.943 -0.198 19614 5643 1 15 . 1 1 44 44 LYS CA C 44 58.846 58.846 59.165 -0.319 19614 5644 1 15 . 1 1 44 44 LYS CB C 44 32.493 32.493 32.413 0.080 19614 5645 1 15 . 1 1 44 44 LYS H H 44 8.124 8.124 7.666 0.458 19614 5646 1 15 . 1 1 45 45 ARG N N 45 120.603 120.603 118.589 2.014 19614 5647 1 15 . 1 1 45 45 ARG HA H 45 4.247 4.247 3.997 0.250 19614 5648 1 15 . 1 1 45 45 ARG C C 45 178.025 178.025 179.303 -1.278 19614 5649 1 15 . 1 1 45 45 ARG CA C 45 58.201 58.201 59.654 -1.453 19614 5650 1 15 . 1 1 45 45 ARG CB C 45 29.888 29.888 30.130 -0.242 19614 5651 1 15 . 1 1 45 45 ARG H H 45 8.219 8.219 8.428 -0.209 19614 5652 1 15 . 1 1 46 46 ARG N N 46 121.714 121.714 120.166 1.548 19614 5653 1 15 . 1 1 46 46 ARG HA H 46 3.908 3.908 4.085 -0.177 19614 5654 1 15 . 1 1 46 46 ARG C C 46 177.855 177.855 178.061 -0.206 19614 5655 1 15 . 1 1 46 46 ARG CA C 46 59.726 59.726 59.312 0.414 19614 5656 1 15 . 1 1 46 46 ARG CB C 46 30.215 30.215 30.176 0.039 19614 5657 1 15 . 1 1 46 46 ARG H H 46 8.245 8.245 8.274 -0.029 19614 5658 1 15 . 1 1 47 47 ARG N N 47 118.469 118.469 119.634 -1.165 19614 5659 1 15 . 1 1 47 47 ARG HA H 47 3.961 3.961 4.042 -0.081 19614 5660 1 15 . 1 1 47 47 ARG C C 47 177.899 177.899 178.158 -0.259 19614 5661 1 15 . 1 1 47 47 ARG CA C 47 58.541 58.541 59.394 -0.853 19614 5662 1 15 . 1 1 47 47 ARG CB C 47 29.704 29.704 30.159 -0.455 19614 5663 1 15 . 1 1 47 47 ARG H H 47 8.233 8.233 8.318 -0.085 19614 5664 1 15 . 1 1 48 48 ALA N N 48 121.720 121.720 121.558 0.162 19614 5665 1 15 . 1 1 48 48 ALA HA H 48 4.205 4.205 4.029 0.176 19614 5666 1 15 . 1 1 48 48 ALA C C 48 180.284 180.284 179.705 0.579 19614 5667 1 15 . 1 1 48 48 ALA CA C 48 54.815 54.815 55.264 -0.449 19614 5668 1 15 . 1 1 48 48 ALA CB C 48 18.025 18.025 18.082 -0.057 19614 5669 1 15 . 1 1 48 48 ALA H H 48 7.962 7.962 8.506 -0.544 19614 5670 1 15 . 1 1 49 49 ARG N N 49 119.603 119.603 118.711 0.892 19614 5671 1 15 . 1 1 49 49 ARG C C 49 179.589 179.589 179.015 0.574 19614 5672 1 15 . 1 1 49 49 ARG CA C 49 59.291 59.291 59.259 0.032 19614 5673 1 15 . 1 1 49 49 ARG CB C 49 30.993 30.993 30.160 0.833 19614 5674 1 15 . 1 1 49 49 ARG H H 49 8.103 8.103 7.598 0.505 19614 5675 1 15 . 1 1 50 50 ILE N N 50 121.545 121.545 121.173 0.372 19614 5676 1 15 . 1 1 50 50 ILE HA H 50 3.662 3.662 3.560 0.102 19614 5677 1 15 . 1 1 50 50 ILE C C 50 177.372 177.372 177.836 -0.464 19614 5678 1 15 . 1 1 50 50 ILE CA C 50 65.302 65.302 65.601 -0.299 19614 5679 1 15 . 1 1 50 50 ILE CB C 50 38.216 38.216 37.556 0.660 19614 5680 1 15 . 1 1 50 50 ILE H H 50 8.145 8.145 8.487 -0.342 19614 5681 1 15 . 1 1 51 51 ASN N N 51 117.894 117.894 118.228 -0.334 19614 5682 1 15 . 1 1 51 51 ASN HA H 51 4.407 4.407 4.453 -0.046 19614 5683 1 15 . 1 1 51 51 ASN C C 51 178.725 178.725 178.156 0.569 19614 5684 1 15 . 1 1 51 51 ASN CA C 51 56.205 56.205 56.156 0.049 19614 5685 1 15 . 1 1 51 51 ASN CB C 51 37.594 37.594 38.010 -0.416 19614 5686 1 15 . 1 1 51 51 ASN H H 51 8.431 8.431 8.469 -0.038 19614 5687 1 15 . 1 1 52 52 GLU N N 52 121.612 121.612 120.405 1.207 19614 5688 1 15 . 1 1 52 52 GLU HA H 52 4.205 4.205 4.046 0.159 19614 5689 1 15 . 1 1 52 52 GLU C C 52 179.243 179.243 178.933 0.310 19614 5690 1 15 . 1 1 52 52 GLU CA C 52 59.291 59.291 59.423 -0.132 19614 5691 1 15 . 1 1 52 52 GLU CB C 52 29.101 29.101 29.118 -0.017 19614 5692 1 15 . 1 1 52 52 GLU H H 52 8.299 8.299 8.549 -0.250 19614 5693 1 15 . 1 1 53 53 SER N N 53 116.604 116.604 116.351 0.253 19614 5694 1 15 . 1 1 53 53 SER C C 53 176.283 176.283 176.612 -0.329 19614 5695 1 15 . 1 1 53 53 SER CA C 53 63.032 63.032 61.609 1.423 19614 5696 1 15 . 1 1 53 53 SER H H 53 8.254 8.254 8.008 0.246 19614 5697 1 15 . 1 1 54 54 LEU N N 54 121.925 121.925 122.028 -0.103 19614 5698 1 15 . 1 1 54 54 LEU HA H 54 3.962 3.962 3.969 -0.007 19614 5699 1 15 . 1 1 54 54 LEU C C 54 178.897 178.897 178.406 0.491 19614 5700 1 15 . 1 1 54 54 LEU CA C 54 58.116 58.116 58.003 0.113 19614 5701 1 15 . 1 1 54 54 LEU CB C 54 41.576 41.576 41.967 -0.390 19614 5702 1 15 . 1 1 54 54 LEU H H 54 8.693 8.693 8.525 0.168 19614 5703 1 15 . 1 1 55 55 SER N N 55 114.515 114.515 115.036 -0.521 19614 5704 1 15 . 1 1 55 55 SER HA H 55 4.181 4.181 4.128 0.053 19614 5705 1 15 . 1 1 55 55 SER C C 55 177.381 177.381 176.514 0.867 19614 5706 1 15 . 1 1 55 55 SER CA C 55 61.568 61.568 62.643 -1.075 19614 5707 1 15 . 1 1 55 55 SER CB C 55 62.527 62.527 63.028 -0.501 19614 5708 1 15 . 1 1 55 55 SER H H 55 7.823 7.823 8.340 -0.517 19614 5709 1 15 . 1 1 56 56 GLN N N 56 120.605 120.605 122.091 -1.486 19614 5710 1 15 . 1 1 56 56 GLN HA H 56 4.087 4.087 4.183 -0.096 19614 5711 1 15 . 1 1 56 56 GLN C C 56 178.904 178.904 177.886 1.018 19614 5712 1 15 . 1 1 56 56 GLN CA C 56 58.679 58.679 58.276 0.403 19614 5713 1 15 . 1 1 56 56 GLN CB C 56 28.669 28.669 28.470 0.199 19614 5714 1 15 . 1 1 56 56 GLN H H 56 7.886 7.886 8.066 -0.180 19614 5715 1 15 . 1 1 57 57 LEU N N 57 120.488 120.488 123.239 -2.751 19614 5716 1 15 . 1 1 57 57 LEU HA H 57 3.953 3.953 3.966 -0.013 19614 5717 1 15 . 1 1 57 57 LEU C C 57 177.406 177.406 178.273 -0.867 19614 5718 1 15 . 1 1 57 57 LEU CA C 57 57.957 57.957 58.337 -0.380 19614 5719 1 15 . 1 1 57 57 LEU CB C 57 41.486 41.486 41.580 -0.094 19614 5720 1 15 . 1 1 57 57 LEU H H 57 8.845 8.845 8.597 0.248 19614 5721 1 15 . 1 1 58 58 LYS N N 58 118.053 118.053 116.286 1.767 19614 5722 1 15 . 1 1 58 58 LYS C C 58 176.891 176.891 179.087 -2.196 19614 5723 1 15 . 1 1 58 58 LYS CA C 58 60.535 60.535 59.208 1.327 19614 5724 1 15 . 1 1 58 58 LYS CB C 58 31.903 31.903 31.940 -0.037 19614 5725 1 15 . 1 1 58 58 LYS H H 58 8.145 8.145 8.052 0.093 19614 5726 1 15 . 1 1 59 59 THR N N 59 112.948 112.948 117.985 -5.037 19614 5727 1 15 . 1 1 59 59 THR HA H 59 3.812 3.812 4.017 -0.205 19614 5728 1 15 . 1 1 59 59 THR C C 59 176.273 176.273 176.836 -0.563 19614 5729 1 15 . 1 1 59 59 THR CA C 59 66.367 66.367 66.443 -0.076 19614 5730 1 15 . 1 1 59 59 THR CB C 59 68.902 68.902 68.696 0.206 19614 5731 1 15 . 1 1 59 59 THR H H 59 7.393 7.393 7.580 -0.187 19614 5732 1 15 . 1 1 60 60 LEU N N 60 120.435 120.435 121.570 -1.135 19614 5733 1 15 . 1 1 60 60 LEU HA H 60 4.066 4.066 4.051 0.015 19614 5734 1 15 . 1 1 60 60 LEU C C 60 179.994 179.994 179.133 0.861 19614 5735 1 15 . 1 1 60 60 LEU CA C 60 58.096 58.096 58.254 -0.158 19614 5736 1 15 . 1 1 60 60 LEU CB C 60 43.107 43.107 41.392 1.715 19614 5737 1 15 . 1 1 60 60 LEU H H 60 8.005 8.005 8.585 -0.580 19614 5738 1 15 . 1 1 61 61 ILE N N 61 120.041 120.041 119.955 0.086 19614 5739 1 15 . 1 1 61 61 ILE HA H 61 3.934 3.934 3.695 0.239 19614 5740 1 15 . 1 1 61 61 ILE C C 61 176.957 176.957 178.128 -1.171 19614 5741 1 15 . 1 1 61 61 ILE CA C 61 60.979 60.979 63.852 -2.873 19614 5742 1 15 . 1 1 61 61 ILE CB C 61 37.229 37.229 37.030 0.199 19614 5743 1 15 . 1 1 61 61 ILE H H 61 8.847 8.847 7.677 1.170 19614 5744 1 15 . 1 1 62 62 LEU N N 62 121.236 121.236 120.067 1.169 19614 5745 1 15 . 1 1 62 62 LEU HA H 62 3.909 3.909 3.925 -0.016 19614 5746 1 15 . 1 1 62 62 LEU C C 62 179.562 179.562 179.106 0.456 19614 5747 1 15 . 1 1 62 62 LEU CA C 62 58.035 58.035 57.511 0.524 19614 5748 1 15 . 1 1 62 62 LEU CB C 62 40.219 40.219 40.527 -0.308 19614 5749 1 15 . 1 1 62 62 LEU H H 62 7.944 7.944 8.292 -0.348 19614 5750 1 15 . 1 1 63 63 ASP N N 63 117.983 117.983 120.095 -2.112 19614 5751 1 15 . 1 1 63 63 ASP HA H 63 4.458 4.458 4.410 0.048 19614 5752 1 15 . 1 1 63 63 ASP C C 63 178.858 178.858 176.792 2.066 19614 5753 1 15 . 1 1 63 63 ASP CA C 63 56.964 56.964 56.857 0.107 19614 5754 1 15 . 1 1 63 63 ASP CB C 63 40.822 40.822 41.244 -0.422 19614 5755 1 15 . 1 1 63 63 ASP H H 63 7.844 7.844 8.265 -0.421 19614 5756 1 15 . 1 1 64 64 ALA N N 64 122.425 122.425 119.405 3.020 19614 5757 1 15 . 1 1 64 64 ALA HA H 64 4.086 4.086 4.283 -0.197 19614 5758 1 15 . 1 1 64 64 ALA C C 64 179.354 179.354 179.104 0.250 19614 5759 1 15 . 1 1 64 64 ALA CA C 64 54.396 54.396 54.074 0.322 19614 5760 1 15 . 1 1 64 64 ALA CB C 64 17.785 17.785 19.393 -1.608 19614 5761 1 15 . 1 1 64 64 ALA H H 64 7.869 7.869 7.561 0.308 19614 5762 1 15 . 1 1 65 65 LEU N N 65 116.489 116.489 115.371 1.118 19614 5763 1 15 . 1 1 65 65 LEU HA H 65 4.222 4.222 4.187 0.035 19614 5764 1 15 . 1 1 65 65 LEU C C 65 176.661 176.661 176.582 0.079 19614 5765 1 15 . 1 1 65 65 LEU CA C 65 54.642 54.642 55.016 -0.374 19614 5766 1 15 . 1 1 65 65 LEU CB C 65 41.957 41.957 42.645 -0.688 19614 5767 1 15 . 1 1 65 65 LEU H H 65 7.669 7.669 7.478 0.191 19614 5768 1 15 . 1 1 66 66 LYS N N 66 118.229 118.229 116.157 2.072 19614 5769 1 15 . 1 1 66 66 LYS HA H 66 4.058 4.058 3.984 0.074 19614 5770 1 15 . 1 1 66 66 LYS C C 66 176.651 176.651 176.375 0.276 19614 5771 1 15 . 1 1 66 66 LYS CA C 66 57.100 57.100 57.161 -0.061 19614 5772 1 15 . 1 1 66 66 LYS CB C 66 30.249 30.249 29.910 0.339 19614 5773 1 15 . 1 1 66 66 LYS H H 66 7.806 7.806 7.985 -0.179 19614 5774 1 15 . 1 1 67 67 LYS N N 67 119.380 119.380 118.289 1.091 19614 5775 1 15 . 1 1 67 67 LYS HA H 67 4.278 4.278 4.093 0.185 19614 5776 1 15 . 1 1 67 67 LYS C C 67 176.163 176.163 176.825 -0.662 19614 5777 1 15 . 1 1 67 67 LYS CA C 67 55.658 55.658 58.249 -2.591 19614 5778 1 15 . 1 1 67 67 LYS CB C 67 33.462 33.462 32.847 0.615 19614 5779 1 15 . 1 1 67 67 LYS H H 67 8.249 8.249 8.156 0.093 19614 5780 1 15 . 1 1 68 68 ASP N N 68 120.812 120.812 116.381 4.431 19614 5781 1 15 . 1 1 68 68 ASP HA H 68 4.601 4.601 4.643 -0.042 19614 5782 1 15 . 1 1 68 68 ASP C C 68 177.001 177.001 175.366 1.635 19614 5783 1 15 . 1 1 68 68 ASP CA C 68 54.192 54.192 54.172 0.020 19614 5784 1 15 . 1 1 68 68 ASP CB C 68 41.383 41.383 42.216 -0.833 19614 5785 1 15 . 1 1 68 68 ASP H H 68 8.350 8.350 7.889 0.461 19614 5786 1 15 . 1 1 69 69 SER N N 69 119.061 119.061 119.887 -0.826 19614 5787 1 15 . 1 1 69 69 SER HA H 69 4.199 4.199 4.508 -0.309 19614 5788 1 15 . 1 1 69 69 SER C C 69 175.643 175.643 175.379 0.264 19614 5789 1 15 . 1 1 69 69 SER CA C 69 59.636 59.636 60.341 -0.705 19614 5790 1 15 . 1 1 69 69 SER CB C 69 63.237 63.237 63.794 -0.556 19614 5791 1 15 . 1 1 69 69 SER H H 69 8.608 8.608 8.562 0.046 19614 5792 1 15 . 1 1 70 70 SER N N 70 118.325 118.325 120.478 -2.153 19614 5793 1 15 . 1 1 70 70 SER HA H 70 4.335 4.335 4.393 -0.058 19614 5794 1 15 . 1 1 70 70 SER C C 70 175.275 175.275 176.903 -1.628 19614 5795 1 15 . 1 1 70 70 SER CA C 70 59.700 59.700 61.283 -1.583 19614 5796 1 15 . 1 1 70 70 SER CB C 70 63.243 63.243 62.802 0.441 19614 5797 1 15 . 1 1 70 70 SER H H 70 8.514 8.514 8.782 -0.268 19614 5798 1 15 . 1 1 71 71 ARG N N 71 121.317 121.317 120.319 0.998 19614 5799 1 15 . 1 1 71 71 ARG HA H 71 4.231 4.231 4.275 -0.044 19614 5800 1 15 . 1 1 71 71 ARG C C 71 176.223 176.223 178.120 -1.897 19614 5801 1 15 . 1 1 71 71 ARG CA C 71 56.368 56.368 58.020 -1.652 19614 5802 1 15 . 1 1 71 71 ARG CB C 71 30.148 30.148 29.284 0.864 19614 5803 1 15 . 1 1 71 71 ARG H H 71 7.965 7.965 9.123 -1.158 19614 5804 1 15 . 1 1 72 72 HIS N N 72 118.894 118.894 117.643 1.251 19614 5805 1 15 . 1 1 72 72 HIS HA H 72 4.663 4.663 4.509 0.154 19614 5806 1 15 . 1 1 72 72 HIS C C 72 175.122 175.122 175.714 -0.592 19614 5807 1 15 . 1 1 72 72 HIS CA C 72 55.935 55.935 57.912 -1.977 19614 5808 1 15 . 1 1 72 72 HIS CB C 72 29.974 29.974 30.175 -0.201 19614 5809 1 15 . 1 1 72 72 HIS H H 72 8.036 8.036 7.845 0.191 19614 5810 1 15 . 1 1 73 73 SER N N 73 116.302 116.302 115.230 1.072 19614 5811 1 15 . 1 1 73 73 SER HA H 73 4.313 4.313 4.413 -0.100 19614 5812 1 15 . 1 1 73 73 SER C C 73 174.559 174.559 174.183 0.376 19614 5813 1 15 . 1 1 73 73 SER CA C 73 59.297 59.297 60.049 -0.752 19614 5814 1 15 . 1 1 73 73 SER CB C 73 63.522 63.522 63.295 0.226 19614 5815 1 15 . 1 1 73 73 SER H H 73 8.029 8.029 7.880 0.149 19614 5816 1 15 . 1 1 74 74 LYS N N 74 122.545 122.545 120.920 1.625 19614 5817 1 15 . 1 1 74 74 LYS HA H 74 4.336 4.336 4.465 -0.129 19614 5818 1 15 . 1 1 74 74 LYS C C 74 175.929 175.929 175.048 0.881 19614 5819 1 15 . 1 1 74 74 LYS CA C 74 55.918 55.918 55.129 0.789 19614 5820 1 15 . 1 1 74 74 LYS CB C 74 32.143 32.143 32.607 -0.464 19614 5821 1 15 . 1 1 74 74 LYS H H 74 8.394 8.394 7.156 1.238 19614 5822 1 15 . 1 1 75 75 LEU N N 75 123.393 123.393 122.782 0.611 19614 5823 1 15 . 1 1 75 75 LEU HA H 75 4.402 4.402 4.373 0.029 19614 5824 1 15 . 1 1 75 75 LEU C C 75 176.575 176.575 176.753 -0.178 19614 5825 1 15 . 1 1 75 75 LEU CA C 75 54.697 54.697 54.537 0.160 19614 5826 1 15 . 1 1 75 75 LEU CB C 75 43.481 43.481 42.375 1.106 19614 5827 1 15 . 1 1 75 75 LEU H H 75 7.943 7.943 7.294 0.649 19614 5828 1 15 . 1 1 76 76 GLU N N 76 123.357 123.357 124.010 -0.653 19614 5829 1 15 . 1 1 76 76 GLU HA H 76 4.551 4.551 4.390 0.161 19614 5830 1 15 . 1 1 76 76 GLU C C 76 177.445 177.445 176.618 0.827 19614 5831 1 15 . 1 1 76 76 GLU CA C 76 54.962 54.962 55.678 -0.716 19614 5832 1 15 . 1 1 76 76 GLU CB C 76 31.245 31.245 30.708 0.537 19614 5833 1 15 . 1 1 76 76 GLU H H 76 9.136 9.136 8.260 0.876 19614 5834 1 15 . 1 1 77 77 LYS N N 77 122.655 122.655 122.604 0.051 19614 5835 1 15 . 1 1 77 77 LYS HA H 77 3.830 3.830 3.934 -0.104 19614 5836 1 15 . 1 1 77 77 LYS C C 77 177.908 177.908 178.456 -0.548 19614 5837 1 15 . 1 1 77 77 LYS CA C 77 61.105 61.105 60.248 0.857 19614 5838 1 15 . 1 1 77 77 LYS CB C 77 32.423 32.423 32.149 0.274 19614 5839 1 15 . 1 1 77 77 LYS H H 77 8.858 8.858 8.752 0.106 19614 5840 1 15 . 1 1 78 78 ALA N N 78 118.008 118.008 118.805 -0.797 19614 5841 1 15 . 1 1 78 78 ALA HA H 78 3.892 3.892 4.151 -0.259 19614 5842 1 15 . 1 1 78 78 ALA C C 78 179.758 179.758 179.760 -0.002 19614 5843 1 15 . 1 1 78 78 ALA CA C 78 55.456 55.456 54.860 0.596 19614 5844 1 15 . 1 1 78 78 ALA CB C 78 17.839 17.839 18.014 -0.175 19614 5845 1 15 . 1 1 78 78 ALA H H 78 9.131 9.131 8.395 0.736 19614 5846 1 15 . 1 1 79 79 ASP N N 79 114.744 114.744 119.055 -4.311 19614 5847 1 15 . 1 1 79 79 ASP HA H 79 4.346 4.346 4.567 -0.221 19614 5848 1 15 . 1 1 79 79 ASP C C 79 178.104 178.104 178.463 -0.359 19614 5849 1 15 . 1 1 79 79 ASP CA C 79 57.088 57.088 56.710 0.378 19614 5850 1 15 . 1 1 79 79 ASP CB C 79 41.728 41.728 40.959 0.769 19614 5851 1 15 . 1 1 79 79 ASP H H 79 7.052 7.052 7.707 -0.655 19614 5852 1 15 . 1 1 80 80 ILE N N 80 119.398 119.398 121.155 -1.757 19614 5853 1 15 . 1 1 80 80 ILE HA H 80 3.592 3.592 3.679 -0.087 19614 5854 1 15 . 1 1 80 80 ILE C C 80 179.567 179.567 178.024 1.543 19614 5855 1 15 . 1 1 80 80 ILE CA C 80 64.201 64.201 65.510 -1.309 19614 5856 1 15 . 1 1 80 80 ILE CB C 80 37.514 37.514 38.080 -0.566 19614 5857 1 15 . 1 1 80 80 ILE H H 80 7.983 7.983 8.377 -0.394 19614 5858 1 15 . 1 1 81 81 LEU N N 81 120.930 120.930 119.766 1.164 19614 5859 1 15 . 1 1 81 81 LEU HA H 81 3.931 3.931 3.870 0.061 19614 5860 1 15 . 1 1 81 81 LEU C C 81 178.312 178.312 178.907 -0.595 19614 5861 1 15 . 1 1 81 81 LEU CA C 81 58.588 58.588 58.353 0.235 19614 5862 1 15 . 1 1 81 81 LEU CB C 81 41.727 41.727 41.129 0.598 19614 5863 1 15 . 1 1 81 81 LEU H H 81 8.171 8.171 8.212 -0.041 19614 5864 1 15 . 1 1 82 82 GLU N N 82 119.314 119.314 119.624 -0.310 19614 5865 1 15 . 1 1 82 82 GLU HA H 82 3.917 3.917 3.934 -0.017 19614 5866 1 15 . 1 1 82 82 GLU C C 82 180.151 180.151 178.841 1.310 19614 5867 1 15 . 1 1 82 82 GLU CA C 82 59.864 59.864 59.452 0.412 19614 5868 1 15 . 1 1 82 82 GLU CB C 82 29.364 29.364 29.616 -0.253 19614 5869 1 15 . 1 1 82 82 GLU H H 82 7.984 7.984 7.712 0.272 19614 5870 1 15 . 1 1 83 83 MET N N 83 118.669 118.669 118.619 0.050 19614 5871 1 15 . 1 1 83 83 MET HA H 83 4.033 4.033 4.249 -0.216 19614 5872 1 15 . 1 1 83 83 MET C C 83 178.488 178.488 178.307 0.181 19614 5873 1 15 . 1 1 83 83 MET CA C 83 59.083 59.083 57.928 1.155 19614 5874 1 15 . 1 1 83 83 MET CB C 83 33.883 33.883 32.189 1.694 19614 5875 1 15 . 1 1 83 83 MET H H 83 8.639 8.639 7.920 0.719 19614 5876 1 15 . 1 1 84 84 THR N N 84 118.733 118.733 117.103 1.630 19614 5877 1 15 . 1 1 84 84 THR HA H 84 3.853 3.853 4.156 -0.303 19614 5878 1 15 . 1 1 84 84 THR C C 84 175.659 175.659 176.697 -1.038 19614 5879 1 15 . 1 1 84 84 THR CA C 84 68.029 68.029 67.655 0.374 19614 5880 1 15 . 1 1 84 84 THR CB C 84 67.595 67.595 68.647 -1.052 19614 5881 1 15 . 1 1 84 84 THR H H 84 7.946 7.946 7.754 0.192 19614 5882 1 15 . 1 1 85 85 VAL N N 85 122.083 122.083 121.751 0.332 19614 5883 1 15 . 1 1 85 85 VAL HA H 85 3.311 3.311 3.550 -0.239 19614 5884 1 15 . 1 1 85 85 VAL C C 85 177.078 177.078 178.134 -1.056 19614 5885 1 15 . 1 1 85 85 VAL CA C 85 67.381 67.381 66.650 0.731 19614 5886 1 15 . 1 1 85 85 VAL CB C 85 32.168 32.168 31.409 0.759 19614 5887 1 15 . 1 1 85 85 VAL H H 85 8.089 8.089 7.895 0.194 19614 5888 1 15 . 1 1 86 86 LYS N N 86 117.409 117.409 119.166 -1.757 19614 5889 1 15 . 1 1 86 86 LYS HA H 86 3.835 3.835 3.966 -0.131 19614 5890 1 15 . 1 1 86 86 LYS C C 86 178.617 178.617 178.683 -0.066 19614 5891 1 15 . 1 1 86 86 LYS CA C 86 60.014 60.014 59.727 0.287 19614 5892 1 15 . 1 1 86 86 LYS CB C 86 32.336 32.336 32.053 0.283 19614 5893 1 15 . 1 1 86 86 LYS H H 86 7.785 7.785 8.703 -0.918 19614 5894 1 15 . 1 1 87 87 HIS N N 87 118.731 118.731 119.956 -1.225 19614 5895 1 15 . 1 1 87 87 HIS HA H 87 4.513 4.513 4.328 0.185 19614 5896 1 15 . 1 1 87 87 HIS C C 87 177.356 177.356 177.325 0.031 19614 5897 1 15 . 1 1 87 87 HIS CA C 87 59.368 59.368 58.615 0.752 19614 5898 1 15 . 1 1 87 87 HIS CB C 87 32.047 32.047 30.636 1.411 19614 5899 1 15 . 1 1 87 87 HIS H H 87 8.055 8.055 7.942 0.113 19614 5900 1 15 . 1 1 88 88 LEU N N 88 117.189 117.189 120.745 -3.556 19614 5901 1 15 . 1 1 88 88 LEU C C 88 180.158 180.158 179.123 1.035 19614 5902 1 15 . 1 1 88 88 LEU CA C 88 57.927 57.927 58.129 -0.202 19614 5903 1 15 . 1 1 88 88 LEU CB C 88 41.748 41.748 41.145 0.603 19614 5904 1 15 . 1 1 88 88 LEU H H 88 8.450 8.450 8.238 0.212 19614 5905 1 15 . 1 1 89 89 ARG N N 89 119.542 119.542 118.665 0.877 19614 5906 1 15 . 1 1 89 89 ARG HA H 89 3.901 3.901 3.986 -0.085 19614 5907 1 15 . 1 1 89 89 ARG C C 89 178.875 178.875 178.778 0.097 19614 5908 1 15 . 1 1 89 89 ARG CA C 89 59.667 59.667 58.997 0.670 19614 5909 1 15 . 1 1 89 89 ARG CB C 89 29.542 29.542 29.579 -0.037 19614 5910 1 15 . 1 1 89 89 ARG H H 89 8.616 8.616 7.976 0.640 19614 5911 1 15 . 1 1 90 90 ASN N N 90 118.676 118.676 119.347 -0.671 19614 5912 1 15 . 1 1 90 90 ASN HA H 90 4.478 4.478 4.480 -0.002 19614 5913 1 15 . 1 1 90 90 ASN C C 90 177.824 177.824 177.544 0.280 19614 5914 1 15 . 1 1 90 90 ASN CA C 90 55.393 55.393 55.952 -0.559 19614 5915 1 15 . 1 1 90 90 ASN CB C 90 37.874 37.874 38.132 -0.258 19614 5916 1 15 . 1 1 90 90 ASN H H 90 7.935 7.935 7.766 0.169 19614 5917 1 15 . 1 1 91 91 LEU N N 91 119.885 119.885 119.996 -0.111 19614 5918 1 15 . 1 1 91 91 LEU HA H 91 4.045 4.045 3.955 0.090 19614 5919 1 15 . 1 1 91 91 LEU C C 91 178.707 178.707 179.159 -0.452 19614 5920 1 15 . 1 1 91 91 LEU CA C 91 56.705 56.705 57.821 -1.116 19614 5921 1 15 . 1 1 91 91 LEU CB C 91 41.918 41.918 41.630 0.288 19614 5922 1 15 . 1 1 91 91 LEU H H 91 7.890 7.890 8.158 -0.268 19614 5923 1 15 . 1 1 92 92 GLN N N 92 118.288 118.288 118.082 0.206 19614 5924 1 15 . 1 1 92 92 GLN HA H 92 4.149 4.149 4.049 0.100 19614 5925 1 15 . 1 1 92 92 GLN C C 92 176.562 176.562 178.555 -1.993 19614 5926 1 15 . 1 1 92 92 GLN CA C 92 57.055 57.055 58.821 -1.766 19614 5927 1 15 . 1 1 92 92 GLN CB C 92 28.937 28.937 28.544 0.393 19614 5928 1 15 . 1 1 92 92 GLN H H 92 7.683 7.683 8.123 -0.440 19614 5929 1 15 . 1 1 93 93 ARG N N 93 119.664 119.664 117.373 2.291 19614 5930 1 15 . 1 1 93 93 ARG HA H 93 4.238 4.238 4.370 -0.132 19614 5931 1 15 . 1 1 93 93 ARG C C 93 175.928 175.928 176.946 -1.018 19614 5932 1 15 . 1 1 93 93 ARG CA C 93 56.467 56.467 57.122 -0.655 19614 5933 1 15 . 1 1 93 93 ARG CB C 93 30.459 30.459 29.292 1.167 19614 5934 1 15 . 1 1 93 93 ARG H H 93 7.786 7.786 8.095 -0.309 19614 5935 1 15 . 1 1 94 94 ALA N N 94 124.562 124.562 121.449 3.113 19614 5936 1 15 . 1 1 94 94 ALA HA H 94 4.308 4.308 4.347 -0.039 19614 5937 1 15 . 1 1 94 94 ALA C C 94 176.753 176.753 177.269 -0.516 19614 5938 1 15 . 1 1 94 94 ALA CA C 94 52.465 52.465 52.819 -0.354 19614 5939 1 15 . 1 1 94 94 ALA CB C 94 19.023 19.023 19.287 -0.264 19614 5940 1 15 . 1 1 94 94 ALA H H 94 8.017 8.017 7.753 0.264 19614 5941 1 16 . 1 1 27 27 LYS HA H 27 4.626 4.626 4.612 0.014 19614 5942 1 16 . 1 1 27 27 LYS CA C 27 54.410 54.410 54.631 -0.221 19614 5943 1 16 . 1 1 27 27 LYS CB C 27 32.346 32.346 32.368 -0.022 19614 5944 1 16 . 1 1 28 28 PRO HA H 28 4.402 4.402 4.286 0.116 19614 5945 1 16 . 1 1 28 28 PRO C C 28 176.815 176.815 177.429 -0.614 19614 5946 1 16 . 1 1 28 28 PRO CA C 28 62.876 62.876 64.665 -1.790 19614 5947 1 16 . 1 1 28 28 PRO CB C 28 32.162 32.162 31.970 0.192 19614 5948 1 16 . 1 1 29 29 LYS N N 29 122.449 122.449 117.797 4.652 19614 5949 1 16 . 1 1 29 29 LYS HA H 29 4.297 4.297 4.360 -0.063 19614 5950 1 16 . 1 1 29 29 LYS C C 29 176.961 176.961 177.142 -0.181 19614 5951 1 16 . 1 1 29 29 LYS CA C 29 56.463 56.463 56.443 0.021 19614 5952 1 16 . 1 1 29 29 LYS CB C 29 32.816 32.816 30.835 1.981 19614 5953 1 16 . 1 1 29 29 LYS H H 29 8.586 8.586 8.137 0.449 19614 5954 1 16 . 1 1 30 30 THR N N 30 115.695 115.695 115.769 -0.074 19614 5955 1 16 . 1 1 30 30 THR HA H 30 4.293 4.293 4.096 0.197 19614 5956 1 16 . 1 1 30 30 THR C C 30 174.354 174.354 174.786 -0.432 19614 5957 1 16 . 1 1 30 30 THR CA C 30 61.555 61.555 64.800 -3.245 19614 5958 1 16 . 1 1 30 30 THR CB C 30 69.949 69.949 68.890 1.059 19614 5959 1 16 . 1 1 30 30 THR H H 30 8.219 8.219 7.564 0.655 19614 5960 1 16 . 1 1 31 31 ALA N N 31 125.923 125.923 125.103 0.820 19614 5961 1 16 . 1 1 31 31 ALA HA H 31 4.312 4.312 4.435 -0.123 19614 5962 1 16 . 1 1 31 31 ALA C C 31 178.014 178.014 177.336 0.678 19614 5963 1 16 . 1 1 31 31 ALA CA C 31 52.781 52.781 51.175 1.606 19614 5964 1 16 . 1 1 31 31 ALA CB C 31 19.125 19.125 18.243 0.882 19614 5965 1 16 . 1 1 31 31 ALA H H 31 8.505 8.505 7.647 0.858 19614 5966 1 16 . 1 1 32 32 SER N N 32 115.249 115.249 118.761 -3.512 19614 5967 1 16 . 1 1 32 32 SER HA H 32 4.338 4.338 4.242 0.096 19614 5968 1 16 . 1 1 32 32 SER C C 32 174.783 174.783 175.388 -0.605 19614 5969 1 16 . 1 1 32 32 SER CA C 32 58.633 58.633 60.264 -1.631 19614 5970 1 16 . 1 1 32 32 SER CB C 32 63.475 63.475 63.385 0.090 19614 5971 1 16 . 1 1 32 32 SER H H 32 8.365 8.365 8.134 0.231 19614 5972 1 16 . 1 1 33 33 GLU N N 33 122.748 122.748 120.102 2.646 19614 5973 1 16 . 1 1 33 33 GLU HA H 33 4.205 4.205 4.095 0.110 19614 5974 1 16 . 1 1 33 33 GLU C C 33 176.411 176.411 176.976 -0.565 19614 5975 1 16 . 1 1 33 33 GLU CA C 33 56.678 56.678 58.087 -1.409 19614 5976 1 16 . 1 1 33 33 GLU CB C 33 30.241 30.241 29.610 0.631 19614 5977 1 16 . 1 1 33 33 GLU H H 33 8.390 8.390 8.411 -0.021 19614 5978 1 16 . 1 1 34 34 HIS N N 34 120.453 120.453 119.460 0.993 19614 5979 1 16 . 1 1 34 34 HIS HA H 34 4.605 4.605 4.667 -0.062 19614 5980 1 16 . 1 1 34 34 HIS C C 34 175.167 175.167 174.575 0.592 19614 5981 1 16 . 1 1 34 34 HIS CA C 34 56.035 56.035 54.641 1.394 19614 5982 1 16 . 1 1 34 34 HIS CB C 34 29.938 29.938 29.262 0.676 19614 5983 1 16 . 1 1 34 34 HIS H H 34 8.431 8.431 7.435 0.996 19614 5984 1 16 . 1 1 35 35 ARG N N 35 122.797 122.797 124.842 -2.045 19614 5985 1 16 . 1 1 35 35 ARG HA H 35 4.261 4.261 4.321 -0.060 19614 5986 1 16 . 1 1 35 35 ARG C C 35 176.411 176.411 176.847 -0.436 19614 5987 1 16 . 1 1 35 35 ARG CA C 35 56.306 56.306 56.174 0.132 19614 5988 1 16 . 1 1 35 35 ARG CB C 35 30.587 30.587 31.219 -0.632 19614 5989 1 16 . 1 1 35 35 ARG H H 35 8.419 8.419 8.437 -0.018 19614 5990 1 16 . 1 1 36 36 LYS N N 36 122.974 122.974 121.923 1.051 19614 5991 1 16 . 1 1 36 36 LYS HA H 36 4.288 4.288 4.531 -0.243 19614 5992 1 16 . 1 1 36 36 LYS C C 36 176.738 176.738 176.529 0.209 19614 5993 1 16 . 1 1 36 36 LYS CA C 36 56.514 56.514 55.918 0.596 19614 5994 1 16 . 1 1 36 36 LYS CB C 36 32.857 32.857 32.551 0.306 19614 5995 1 16 . 1 1 36 36 LYS H H 36 8.482 8.482 8.486 -0.004 19614 5996 1 16 . 1 1 37 37 SER N N 37 117.137 117.137 121.014 -3.877 19614 5997 1 16 . 1 1 37 37 SER HA H 37 4.469 4.469 4.580 -0.111 19614 5998 1 16 . 1 1 37 37 SER C C 37 174.495 174.495 173.967 0.528 19614 5999 1 16 . 1 1 37 37 SER CA C 37 58.115 58.115 58.261 -0.146 19614 6000 1 16 . 1 1 37 37 SER CB C 37 63.627 63.627 64.058 -0.431 19614 6001 1 16 . 1 1 37 37 SER H H 37 8.410 8.410 8.460 -0.050 19614 6002 1 16 . 1 1 38 38 SER N N 38 118.622 118.622 113.835 4.787 19614 6003 1 16 . 1 1 38 38 SER HA H 38 4.467 4.467 4.331 0.136 19614 6004 1 16 . 1 1 38 38 SER C C 38 174.332 174.332 172.934 1.398 19614 6005 1 16 . 1 1 38 38 SER CA C 38 58.187 58.187 58.782 -0.595 19614 6006 1 16 . 1 1 38 38 SER CB C 38 63.703 63.703 63.423 0.280 19614 6007 1 16 . 1 1 38 38 SER H H 38 8.456 8.456 8.248 0.208 19614 6008 1 16 . 1 1 39 39 LYS N N 39 124.176 124.176 122.801 1.375 19614 6009 1 16 . 1 1 39 39 LYS HA H 39 4.478 4.478 4.693 -0.215 19614 6010 1 16 . 1 1 39 39 LYS C C 39 174.904 174.904 175.823 -0.919 19614 6011 1 16 . 1 1 39 39 LYS CA C 39 56.707 56.707 53.898 2.809 19614 6012 1 16 . 1 1 39 39 LYS CB C 39 31.595 31.595 32.474 -0.879 19614 6013 1 16 . 1 1 39 39 LYS H H 39 8.489 8.489 8.261 0.228 19614 6014 1 16 . 1 1 40 40 PRO HA H 40 4.401 4.401 4.242 0.159 19614 6015 1 16 . 1 1 40 40 PRO C C 40 178.173 178.173 178.632 -0.459 19614 6016 1 16 . 1 1 40 40 PRO CA C 40 64.315 64.315 65.614 -1.299 19614 6017 1 16 . 1 1 40 40 PRO CB C 40 31.675 31.675 31.970 -0.295 19614 6018 1 16 . 1 1 41 41 ILE N N 41 120.414 120.414 117.567 2.847 19614 6019 1 16 . 1 1 41 41 ILE HA H 41 3.967 3.967 3.934 0.033 19614 6020 1 16 . 1 1 41 41 ILE C C 41 177.393 177.393 177.521 -0.128 19614 6021 1 16 . 1 1 41 41 ILE CA C 41 62.575 62.575 64.426 -1.851 19614 6022 1 16 . 1 1 41 41 ILE CB C 41 37.900 37.900 37.797 0.103 19614 6023 1 16 . 1 1 41 41 ILE H H 41 8.011 8.011 7.820 0.191 19614 6024 1 16 . 1 1 42 42 MET N N 42 122.411 122.411 118.292 4.119 19614 6025 1 16 . 1 1 42 42 MET HA H 42 4.330 4.330 4.211 0.119 19614 6026 1 16 . 1 1 42 42 MET C C 42 178.050 178.050 178.676 -0.626 19614 6027 1 16 . 1 1 42 42 MET CA C 42 56.959 56.959 57.916 -0.957 19614 6028 1 16 . 1 1 42 42 MET CB C 42 32.024 32.024 31.195 0.829 19614 6029 1 16 . 1 1 42 42 MET H H 42 8.335 8.335 8.000 0.335 19614 6030 1 16 . 1 1 43 43 GLU N N 43 121.832 121.832 118.223 3.609 19614 6031 1 16 . 1 1 43 43 GLU HA H 43 4.193 4.193 4.078 0.115 19614 6032 1 16 . 1 1 43 43 GLU C C 43 177.835 177.835 178.737 -0.902 19614 6033 1 16 . 1 1 43 43 GLU CA C 43 58.157 58.157 59.000 -0.843 19614 6034 1 16 . 1 1 43 43 GLU CB C 43 29.543 29.543 28.859 0.684 19614 6035 1 16 . 1 1 43 43 GLU H H 43 8.397 8.397 8.895 -0.498 19614 6036 1 16 . 1 1 44 44 LYS N N 44 121.347 121.347 121.442 -0.095 19614 6037 1 16 . 1 1 44 44 LYS HA H 44 4.083 4.083 4.045 0.038 19614 6038 1 16 . 1 1 44 44 LYS C C 44 178.745 178.745 178.892 -0.147 19614 6039 1 16 . 1 1 44 44 LYS CA C 44 58.846 58.846 59.372 -0.526 19614 6040 1 16 . 1 1 44 44 LYS CB C 44 32.493 32.493 32.364 0.129 19614 6041 1 16 . 1 1 44 44 LYS H H 44 8.124 8.124 7.732 0.392 19614 6042 1 16 . 1 1 45 45 ARG N N 45 120.603 120.603 118.692 1.911 19614 6043 1 16 . 1 1 45 45 ARG HA H 45 4.247 4.247 3.989 0.258 19614 6044 1 16 . 1 1 45 45 ARG C C 45 178.025 178.025 178.779 -0.754 19614 6045 1 16 . 1 1 45 45 ARG CA C 45 58.201 58.201 59.607 -1.406 19614 6046 1 16 . 1 1 45 45 ARG CB C 45 29.888 29.888 30.096 -0.208 19614 6047 1 16 . 1 1 45 45 ARG H H 45 8.219 8.219 7.981 0.238 19614 6048 1 16 . 1 1 46 46 ARG N N 46 121.714 121.714 119.965 1.749 19614 6049 1 16 . 1 1 46 46 ARG HA H 46 3.908 3.908 4.005 -0.097 19614 6050 1 16 . 1 1 46 46 ARG C C 46 177.855 177.855 178.199 -0.344 19614 6051 1 16 . 1 1 46 46 ARG CA C 46 59.726 59.726 59.507 0.219 19614 6052 1 16 . 1 1 46 46 ARG CB C 46 30.215 30.215 30.154 0.061 19614 6053 1 16 . 1 1 46 46 ARG H H 46 8.245 8.245 8.220 0.025 19614 6054 1 16 . 1 1 47 47 ARG N N 47 118.469 118.469 119.663 -1.194 19614 6055 1 16 . 1 1 47 47 ARG HA H 47 3.961 3.961 4.018 -0.057 19614 6056 1 16 . 1 1 47 47 ARG C C 47 177.899 177.899 178.376 -0.477 19614 6057 1 16 . 1 1 47 47 ARG CA C 47 58.541 58.541 59.249 -0.709 19614 6058 1 16 . 1 1 47 47 ARG CB C 47 29.704 29.704 30.135 -0.431 19614 6059 1 16 . 1 1 47 47 ARG H H 47 8.233 8.233 8.360 -0.127 19614 6060 1 16 . 1 1 48 48 ALA N N 48 121.720 121.720 121.385 0.335 19614 6061 1 16 . 1 1 48 48 ALA HA H 48 4.205 4.205 4.015 0.190 19614 6062 1 16 . 1 1 48 48 ALA C C 48 180.284 180.284 179.292 0.992 19614 6063 1 16 . 1 1 48 48 ALA CA C 48 54.815 54.815 55.345 -0.530 19614 6064 1 16 . 1 1 48 48 ALA CB C 48 18.025 18.025 18.323 -0.298 19614 6065 1 16 . 1 1 48 48 ALA H H 48 7.962 7.962 8.462 -0.500 19614 6066 1 16 . 1 1 49 49 ARG N N 49 119.603 119.603 119.128 0.475 19614 6067 1 16 . 1 1 49 49 ARG C C 49 179.589 179.589 178.806 0.783 19614 6068 1 16 . 1 1 49 49 ARG CA C 49 59.291 59.291 58.625 0.666 19614 6069 1 16 . 1 1 49 49 ARG CB C 49 30.993 30.993 29.640 1.353 19614 6070 1 16 . 1 1 49 49 ARG H H 49 8.103 8.103 7.802 0.301 19614 6071 1 16 . 1 1 50 50 ILE N N 50 121.545 121.545 120.653 0.892 19614 6072 1 16 . 1 1 50 50 ILE HA H 50 3.662 3.662 3.475 0.187 19614 6073 1 16 . 1 1 50 50 ILE C C 50 177.372 177.372 177.774 -0.402 19614 6074 1 16 . 1 1 50 50 ILE CA C 50 65.302 65.302 65.807 -0.505 19614 6075 1 16 . 1 1 50 50 ILE CB C 50 38.216 38.216 37.320 0.896 19614 6076 1 16 . 1 1 50 50 ILE H H 50 8.145 8.145 8.520 -0.375 19614 6077 1 16 . 1 1 51 51 ASN N N 51 117.894 117.894 118.105 -0.211 19614 6078 1 16 . 1 1 51 51 ASN HA H 51 4.407 4.407 4.379 0.028 19614 6079 1 16 . 1 1 51 51 ASN C C 51 178.725 178.725 178.055 0.670 19614 6080 1 16 . 1 1 51 51 ASN CA C 51 56.205 56.205 56.622 -0.417 19614 6081 1 16 . 1 1 51 51 ASN CB C 51 37.594 37.594 38.172 -0.577 19614 6082 1 16 . 1 1 51 51 ASN H H 51 8.431 8.431 8.040 0.391 19614 6083 1 16 . 1 1 52 52 GLU N N 52 121.612 121.612 120.285 1.327 19614 6084 1 16 . 1 1 52 52 GLU HA H 52 4.205 4.205 4.097 0.108 19614 6085 1 16 . 1 1 52 52 GLU C C 52 179.243 179.243 179.379 -0.136 19614 6086 1 16 . 1 1 52 52 GLU CA C 52 59.291 59.291 59.268 0.023 19614 6087 1 16 . 1 1 52 52 GLU CB C 52 29.101 29.101 29.080 0.021 19614 6088 1 16 . 1 1 52 52 GLU H H 52 8.299 8.299 8.661 -0.362 19614 6089 1 16 . 1 1 53 53 SER N N 53 116.604 116.604 116.662 -0.058 19614 6090 1 16 . 1 1 53 53 SER C C 53 176.283 176.283 176.669 -0.386 19614 6091 1 16 . 1 1 53 53 SER CA C 53 63.032 63.032 62.013 1.019 19614 6092 1 16 . 1 1 53 53 SER H H 53 8.254 8.254 8.172 0.082 19614 6093 1 16 . 1 1 54 54 LEU N N 54 121.925 121.925 122.741 -0.816 19614 6094 1 16 . 1 1 54 54 LEU HA H 54 3.962 3.962 3.978 -0.016 19614 6095 1 16 . 1 1 54 54 LEU C C 54 178.897 178.897 178.141 0.756 19614 6096 1 16 . 1 1 54 54 LEU CA C 54 58.116 58.116 57.872 0.244 19614 6097 1 16 . 1 1 54 54 LEU CB C 54 41.576 41.576 41.916 -0.340 19614 6098 1 16 . 1 1 54 54 LEU H H 54 8.693 8.693 8.501 0.192 19614 6099 1 16 . 1 1 55 55 SER N N 55 114.515 114.515 115.051 -0.536 19614 6100 1 16 . 1 1 55 55 SER HA H 55 4.181 4.181 4.071 0.110 19614 6101 1 16 . 1 1 55 55 SER C C 55 177.381 177.381 176.289 1.092 19614 6102 1 16 . 1 1 55 55 SER CA C 55 61.568 61.568 62.445 -0.877 19614 6103 1 16 . 1 1 55 55 SER CB C 55 62.527 62.527 63.288 -0.761 19614 6104 1 16 . 1 1 55 55 SER H H 55 7.823 7.823 8.557 -0.734 19614 6105 1 16 . 1 1 56 56 GLN N N 56 120.605 120.605 120.664 -0.059 19614 6106 1 16 . 1 1 56 56 GLN HA H 56 4.087 4.087 4.151 -0.064 19614 6107 1 16 . 1 1 56 56 GLN C C 56 178.904 178.904 178.134 0.770 19614 6108 1 16 . 1 1 56 56 GLN CA C 56 58.679 58.679 58.314 0.365 19614 6109 1 16 . 1 1 56 56 GLN CB C 56 28.669 28.669 28.502 0.167 19614 6110 1 16 . 1 1 56 56 GLN H H 56 7.886 7.886 7.716 0.170 19614 6111 1 16 . 1 1 57 57 LEU N N 57 120.488 120.488 122.977 -2.489 19614 6112 1 16 . 1 1 57 57 LEU HA H 57 3.953 3.953 3.896 0.057 19614 6113 1 16 . 1 1 57 57 LEU C C 57 177.406 177.406 178.301 -0.895 19614 6114 1 16 . 1 1 57 57 LEU CA C 57 57.957 57.957 58.429 -0.472 19614 6115 1 16 . 1 1 57 57 LEU CB C 57 41.486 41.486 42.057 -0.571 19614 6116 1 16 . 1 1 57 57 LEU H H 57 8.845 8.845 8.457 0.388 19614 6117 1 16 . 1 1 58 58 LYS N N 58 118.053 118.053 116.877 1.176 19614 6118 1 16 . 1 1 58 58 LYS C C 58 176.891 176.891 178.958 -2.067 19614 6119 1 16 . 1 1 58 58 LYS CA C 58 60.535 60.535 59.153 1.382 19614 6120 1 16 . 1 1 58 58 LYS CB C 58 31.903 31.903 31.611 0.291 19614 6121 1 16 . 1 1 58 58 LYS H H 58 8.145 8.145 8.314 -0.169 19614 6122 1 16 . 1 1 59 59 THR N N 59 112.948 112.948 117.527 -4.579 19614 6123 1 16 . 1 1 59 59 THR HA H 59 3.812 3.812 4.214 -0.402 19614 6124 1 16 . 1 1 59 59 THR C C 59 176.273 176.273 176.534 -0.261 19614 6125 1 16 . 1 1 59 59 THR CA C 59 66.367 66.367 66.532 -0.166 19614 6126 1 16 . 1 1 59 59 THR CB C 59 68.902 68.902 68.762 0.140 19614 6127 1 16 . 1 1 59 59 THR H H 59 7.393 7.393 7.634 -0.241 19614 6128 1 16 . 1 1 60 60 LEU N N 60 120.435 120.435 121.659 -1.224 19614 6129 1 16 . 1 1 60 60 LEU HA H 60 4.066 4.066 4.116 -0.050 19614 6130 1 16 . 1 1 60 60 LEU C C 60 179.994 179.994 179.197 0.797 19614 6131 1 16 . 1 1 60 60 LEU CA C 60 58.096 58.096 58.065 0.031 19614 6132 1 16 . 1 1 60 60 LEU CB C 60 43.107 43.107 41.462 1.645 19614 6133 1 16 . 1 1 60 60 LEU H H 60 8.005 8.005 8.508 -0.503 19614 6134 1 16 . 1 1 61 61 ILE N N 61 120.041 120.041 120.276 -0.235 19614 6135 1 16 . 1 1 61 61 ILE HA H 61 3.934 3.934 3.673 0.261 19614 6136 1 16 . 1 1 61 61 ILE C C 61 176.957 176.957 177.858 -0.901 19614 6137 1 16 . 1 1 61 61 ILE CA C 61 60.979 60.979 63.901 -2.922 19614 6138 1 16 . 1 1 61 61 ILE CB C 61 37.229 37.229 36.996 0.233 19614 6139 1 16 . 1 1 61 61 ILE H H 61 8.847 8.847 8.267 0.580 19614 6140 1 16 . 1 1 62 62 LEU N N 62 121.236 121.236 120.637 0.599 19614 6141 1 16 . 1 1 62 62 LEU HA H 62 3.909 3.909 3.841 0.068 19614 6142 1 16 . 1 1 62 62 LEU C C 62 179.562 179.562 178.986 0.576 19614 6143 1 16 . 1 1 62 62 LEU CA C 62 58.035 58.035 58.165 -0.130 19614 6144 1 16 . 1 1 62 62 LEU CB C 62 40.219 40.219 40.711 -0.492 19614 6145 1 16 . 1 1 62 62 LEU H H 62 7.944 7.944 8.235 -0.291 19614 6146 1 16 . 1 1 63 63 ASP N N 63 117.983 117.983 118.736 -0.753 19614 6147 1 16 . 1 1 63 63 ASP HA H 63 4.458 4.458 4.500 -0.042 19614 6148 1 16 . 1 1 63 63 ASP C C 63 178.858 178.858 177.292 1.566 19614 6149 1 16 . 1 1 63 63 ASP CA C 63 56.964 56.964 56.685 0.279 19614 6150 1 16 . 1 1 63 63 ASP CB C 63 40.822 40.822 41.280 -0.458 19614 6151 1 16 . 1 1 63 63 ASP H H 63 7.844 7.844 8.011 -0.167 19614 6152 1 16 . 1 1 64 64 ALA N N 64 122.425 122.425 120.876 1.549 19614 6153 1 16 . 1 1 64 64 ALA HA H 64 4.086 4.086 4.200 -0.114 19614 6154 1 16 . 1 1 64 64 ALA C C 64 179.354 179.354 178.840 0.514 19614 6155 1 16 . 1 1 64 64 ALA CA C 64 54.396 54.396 54.103 0.293 19614 6156 1 16 . 1 1 64 64 ALA CB C 64 17.785 17.785 19.152 -1.367 19614 6157 1 16 . 1 1 64 64 ALA H H 64 7.869 7.869 7.573 0.296 19614 6158 1 16 . 1 1 65 65 LEU N N 65 116.489 116.489 115.600 0.889 19614 6159 1 16 . 1 1 65 65 LEU HA H 65 4.222 4.222 4.216 0.006 19614 6160 1 16 . 1 1 65 65 LEU C C 65 176.661 176.661 176.617 0.044 19614 6161 1 16 . 1 1 65 65 LEU CA C 65 54.642 54.642 55.234 -0.592 19614 6162 1 16 . 1 1 65 65 LEU CB C 65 41.957 41.957 42.576 -0.619 19614 6163 1 16 . 1 1 65 65 LEU H H 65 7.669 7.669 7.469 0.200 19614 6164 1 16 . 1 1 66 66 LYS N N 66 118.229 118.229 116.425 1.804 19614 6165 1 16 . 1 1 66 66 LYS HA H 66 4.058 4.058 4.050 0.008 19614 6166 1 16 . 1 1 66 66 LYS C C 66 176.651 176.651 176.032 0.619 19614 6167 1 16 . 1 1 66 66 LYS CA C 66 57.100 57.100 57.136 -0.036 19614 6168 1 16 . 1 1 66 66 LYS CB C 66 30.249 30.249 29.103 1.146 19614 6169 1 16 . 1 1 66 66 LYS H H 66 7.806 7.806 7.842 -0.036 19614 6170 1 16 . 1 1 67 67 LYS N N 67 119.380 119.380 118.996 0.384 19614 6171 1 16 . 1 1 67 67 LYS HA H 67 4.278 4.278 4.175 0.103 19614 6172 1 16 . 1 1 67 67 LYS C C 67 176.163 176.163 176.504 -0.341 19614 6173 1 16 . 1 1 67 67 LYS CA C 67 55.658 55.658 57.725 -2.067 19614 6174 1 16 . 1 1 67 67 LYS CB C 67 33.462 33.462 33.188 0.274 19614 6175 1 16 . 1 1 67 67 LYS H H 67 8.249 8.249 7.982 0.267 19614 6176 1 16 . 1 1 68 68 ASP N N 68 120.812 120.812 113.252 7.560 19614 6177 1 16 . 1 1 68 68 ASP HA H 68 4.601 4.601 4.679 -0.078 19614 6178 1 16 . 1 1 68 68 ASP C C 68 177.001 177.001 175.168 1.833 19614 6179 1 16 . 1 1 68 68 ASP CA C 68 54.192 54.192 53.825 0.367 19614 6180 1 16 . 1 1 68 68 ASP CB C 68 41.383 41.383 42.870 -1.487 19614 6181 1 16 . 1 1 68 68 ASP H H 68 8.350 8.350 7.859 0.491 19614 6182 1 16 . 1 1 69 69 SER N N 69 119.061 119.061 117.088 1.973 19614 6183 1 16 . 1 1 69 69 SER HA H 69 4.199 4.199 4.454 -0.255 19614 6184 1 16 . 1 1 69 69 SER C C 69 175.643 175.643 176.127 -0.484 19614 6185 1 16 . 1 1 69 69 SER CA C 69 59.636 59.636 60.740 -1.104 19614 6186 1 16 . 1 1 69 69 SER CB C 69 63.237 63.237 63.509 -0.272 19614 6187 1 16 . 1 1 69 69 SER H H 69 8.608 8.608 8.622 -0.014 19614 6188 1 16 . 1 1 70 70 SER N N 70 118.325 118.325 116.873 1.452 19614 6189 1 16 . 1 1 70 70 SER HA H 70 4.335 4.335 4.292 0.043 19614 6190 1 16 . 1 1 70 70 SER C C 70 175.275 175.275 175.143 0.132 19614 6191 1 16 . 1 1 70 70 SER CA C 70 59.700 59.700 61.447 -1.747 19614 6192 1 16 . 1 1 70 70 SER CB C 70 63.243 63.243 63.467 -0.224 19614 6193 1 16 . 1 1 70 70 SER H H 70 8.514 8.514 9.020 -0.506 19614 6194 1 16 . 1 1 71 71 ARG N N 71 121.317 121.317 116.714 4.603 19614 6195 1 16 . 1 1 71 71 ARG HA H 71 4.231 4.231 4.233 -0.002 19614 6196 1 16 . 1 1 71 71 ARG C C 71 176.223 176.223 177.055 -0.832 19614 6197 1 16 . 1 1 71 71 ARG CA C 71 56.368 56.368 57.016 -0.647 19614 6198 1 16 . 1 1 71 71 ARG CB C 71 30.148 30.148 29.290 0.858 19614 6199 1 16 . 1 1 71 71 ARG H H 71 7.965 7.965 8.016 -0.051 19614 6200 1 16 . 1 1 72 72 HIS N N 72 118.894 118.894 117.855 1.039 19614 6201 1 16 . 1 1 72 72 HIS HA H 72 4.663 4.663 4.458 0.205 19614 6202 1 16 . 1 1 72 72 HIS C C 72 175.122 175.122 176.594 -1.472 19614 6203 1 16 . 1 1 72 72 HIS CA C 72 55.935 55.935 58.225 -2.290 19614 6204 1 16 . 1 1 72 72 HIS CB C 72 29.974 29.974 30.369 -0.395 19614 6205 1 16 . 1 1 72 72 HIS H H 72 8.036 8.036 7.650 0.386 19614 6206 1 16 . 1 1 73 73 SER N N 73 116.302 116.302 113.637 2.665 19614 6207 1 16 . 1 1 73 73 SER HA H 73 4.313 4.313 4.448 -0.135 19614 6208 1 16 . 1 1 73 73 SER C C 73 174.559 174.559 174.584 -0.025 19614 6209 1 16 . 1 1 73 73 SER CA C 73 59.297 59.297 59.973 -0.676 19614 6210 1 16 . 1 1 73 73 SER CB C 73 63.522 63.522 63.506 0.016 19614 6211 1 16 . 1 1 73 73 SER H H 73 8.029 8.029 7.732 0.297 19614 6212 1 16 . 1 1 74 74 LYS N N 74 122.545 122.545 122.009 0.536 19614 6213 1 16 . 1 1 74 74 LYS HA H 74 4.336 4.336 4.514 -0.178 19614 6214 1 16 . 1 1 74 74 LYS C C 74 175.929 175.929 174.792 1.137 19614 6215 1 16 . 1 1 74 74 LYS CA C 74 55.918 55.918 55.393 0.525 19614 6216 1 16 . 1 1 74 74 LYS CB C 74 32.143 32.143 32.045 0.098 19614 6217 1 16 . 1 1 74 74 LYS H H 74 8.394 8.394 7.439 0.955 19614 6218 1 16 . 1 1 75 75 LEU N N 75 123.393 123.393 122.517 0.876 19614 6219 1 16 . 1 1 75 75 LEU HA H 75 4.402 4.402 4.492 -0.090 19614 6220 1 16 . 1 1 75 75 LEU C C 75 176.575 176.575 176.023 0.552 19614 6221 1 16 . 1 1 75 75 LEU CA C 75 54.697 54.697 53.752 0.945 19614 6222 1 16 . 1 1 75 75 LEU CB C 75 43.481 43.481 43.367 0.114 19614 6223 1 16 . 1 1 75 75 LEU H H 75 7.943 7.943 8.040 -0.097 19614 6224 1 16 . 1 1 76 76 GLU N N 76 123.357 123.357 123.435 -0.078 19614 6225 1 16 . 1 1 76 76 GLU HA H 76 4.551 4.551 4.419 0.132 19614 6226 1 16 . 1 1 76 76 GLU C C 76 177.445 177.445 177.026 0.419 19614 6227 1 16 . 1 1 76 76 GLU CA C 76 54.962 54.962 55.482 -0.520 19614 6228 1 16 . 1 1 76 76 GLU CB C 76 31.245 31.245 30.854 0.391 19614 6229 1 16 . 1 1 76 76 GLU H H 76 9.136 9.136 8.550 0.586 19614 6230 1 16 . 1 1 77 77 LYS N N 77 122.655 122.655 124.449 -1.794 19614 6231 1 16 . 1 1 77 77 LYS HA H 77 3.830 3.830 3.874 -0.044 19614 6232 1 16 . 1 1 77 77 LYS C C 77 177.908 177.908 178.211 -0.303 19614 6233 1 16 . 1 1 77 77 LYS CA C 77 61.105 61.105 60.074 1.031 19614 6234 1 16 . 1 1 77 77 LYS CB C 77 32.423 32.423 32.358 0.065 19614 6235 1 16 . 1 1 77 77 LYS H H 77 8.858 8.858 8.926 -0.068 19614 6236 1 16 . 1 1 78 78 ALA N N 78 118.008 118.008 118.559 -0.551 19614 6237 1 16 . 1 1 78 78 ALA HA H 78 3.892 3.892 4.180 -0.288 19614 6238 1 16 . 1 1 78 78 ALA C C 78 179.758 179.758 179.650 0.108 19614 6239 1 16 . 1 1 78 78 ALA CA C 78 55.456 55.456 54.653 0.803 19614 6240 1 16 . 1 1 78 78 ALA CB C 78 17.839 17.839 18.019 -0.180 19614 6241 1 16 . 1 1 78 78 ALA H H 78 9.131 9.131 8.360 0.771 19614 6242 1 16 . 1 1 79 79 ASP N N 79 114.744 114.744 119.120 -4.376 19614 6243 1 16 . 1 1 79 79 ASP HA H 79 4.346 4.346 4.545 -0.199 19614 6244 1 16 . 1 1 79 79 ASP C C 79 178.104 178.104 178.342 -0.238 19614 6245 1 16 . 1 1 79 79 ASP CA C 79 57.088 57.088 56.615 0.473 19614 6246 1 16 . 1 1 79 79 ASP CB C 79 41.728 41.728 41.032 0.695 19614 6247 1 16 . 1 1 79 79 ASP H H 79 7.052 7.052 7.836 -0.784 19614 6248 1 16 . 1 1 80 80 ILE N N 80 119.398 119.398 120.861 -1.463 19614 6249 1 16 . 1 1 80 80 ILE HA H 80 3.592 3.592 3.617 -0.025 19614 6250 1 16 . 1 1 80 80 ILE C C 80 179.567 179.567 177.988 1.579 19614 6251 1 16 . 1 1 80 80 ILE CA C 80 64.201 64.201 65.454 -1.254 19614 6252 1 16 . 1 1 80 80 ILE CB C 80 37.514 37.514 38.082 -0.568 19614 6253 1 16 . 1 1 80 80 ILE H H 80 7.983 7.983 7.879 0.104 19614 6254 1 16 . 1 1 81 81 LEU N N 81 120.930 120.930 120.151 0.779 19614 6255 1 16 . 1 1 81 81 LEU HA H 81 3.931 3.931 3.849 0.082 19614 6256 1 16 . 1 1 81 81 LEU C C 81 178.312 178.312 178.836 -0.524 19614 6257 1 16 . 1 1 81 81 LEU CA C 81 58.588 58.588 58.472 0.116 19614 6258 1 16 . 1 1 81 81 LEU CB C 81 41.727 41.727 41.185 0.542 19614 6259 1 16 . 1 1 81 81 LEU H H 81 8.171 8.171 8.131 0.040 19614 6260 1 16 . 1 1 82 82 GLU N N 82 119.314 119.314 119.266 0.048 19614 6261 1 16 . 1 1 82 82 GLU HA H 82 3.917 3.917 3.935 -0.018 19614 6262 1 16 . 1 1 82 82 GLU C C 82 180.151 180.151 178.828 1.323 19614 6263 1 16 . 1 1 82 82 GLU CA C 82 59.864 59.864 59.361 0.503 19614 6264 1 16 . 1 1 82 82 GLU CB C 82 29.364 29.364 29.563 -0.199 19614 6265 1 16 . 1 1 82 82 GLU H H 82 7.984 7.984 7.727 0.257 19614 6266 1 16 . 1 1 83 83 MET N N 83 118.669 118.669 119.048 -0.379 19614 6267 1 16 . 1 1 83 83 MET HA H 83 4.033 4.033 4.224 -0.191 19614 6268 1 16 . 1 1 83 83 MET C C 83 178.488 178.488 178.274 0.214 19614 6269 1 16 . 1 1 83 83 MET CA C 83 59.083 59.083 57.931 1.152 19614 6270 1 16 . 1 1 83 83 MET CB C 83 33.883 33.883 32.237 1.646 19614 6271 1 16 . 1 1 83 83 MET H H 83 8.639 8.639 7.667 0.972 19614 6272 1 16 . 1 1 84 84 THR N N 84 118.733 118.733 117.184 1.549 19614 6273 1 16 . 1 1 84 84 THR HA H 84 3.853 3.853 4.070 -0.217 19614 6274 1 16 . 1 1 84 84 THR C C 84 175.659 175.659 176.492 -0.833 19614 6275 1 16 . 1 1 84 84 THR CA C 84 68.029 68.029 66.788 1.241 19614 6276 1 16 . 1 1 84 84 THR CB C 84 67.595 67.595 68.875 -1.280 19614 6277 1 16 . 1 1 84 84 THR H H 84 7.946 7.946 7.714 0.232 19614 6278 1 16 . 1 1 85 85 VAL N N 85 122.083 122.083 121.651 0.432 19614 6279 1 16 . 1 1 85 85 VAL HA H 85 3.311 3.311 3.717 -0.406 19614 6280 1 16 . 1 1 85 85 VAL C C 85 177.078 177.078 177.639 -0.561 19614 6281 1 16 . 1 1 85 85 VAL CA C 85 67.381 67.381 66.216 1.165 19614 6282 1 16 . 1 1 85 85 VAL CB C 85 32.168 32.168 30.941 1.227 19614 6283 1 16 . 1 1 85 85 VAL H H 85 8.089 8.089 7.983 0.106 19614 6284 1 16 . 1 1 86 86 LYS N N 86 117.409 117.409 118.621 -1.212 19614 6285 1 16 . 1 1 86 86 LYS HA H 86 3.835 3.835 4.015 -0.180 19614 6286 1 16 . 1 1 86 86 LYS C C 86 178.617 178.617 178.925 -0.308 19614 6287 1 16 . 1 1 86 86 LYS CA C 86 60.014 60.014 59.647 0.367 19614 6288 1 16 . 1 1 86 86 LYS CB C 86 32.336 32.336 32.069 0.267 19614 6289 1 16 . 1 1 86 86 LYS H H 86 7.785 7.785 8.565 -0.780 19614 6290 1 16 . 1 1 87 87 HIS N N 87 118.731 118.731 119.432 -0.701 19614 6291 1 16 . 1 1 87 87 HIS HA H 87 4.513 4.513 4.356 0.157 19614 6292 1 16 . 1 1 87 87 HIS C C 87 177.356 177.356 177.010 0.346 19614 6293 1 16 . 1 1 87 87 HIS CA C 87 59.368 59.368 58.718 0.650 19614 6294 1 16 . 1 1 87 87 HIS CB C 87 32.047 32.047 30.399 1.648 19614 6295 1 16 . 1 1 87 87 HIS H H 87 8.055 8.055 7.911 0.144 19614 6296 1 16 . 1 1 88 88 LEU N N 88 117.189 117.189 119.450 -2.261 19614 6297 1 16 . 1 1 88 88 LEU C C 88 180.158 180.158 178.694 1.464 19614 6298 1 16 . 1 1 88 88 LEU CA C 88 57.927 57.927 58.008 -0.081 19614 6299 1 16 . 1 1 88 88 LEU CB C 88 41.748 41.748 40.923 0.825 19614 6300 1 16 . 1 1 88 88 LEU H H 88 8.450 8.450 7.753 0.697 19614 6301 1 16 . 1 1 89 89 ARG N N 89 119.542 119.542 120.185 -0.643 19614 6302 1 16 . 1 1 89 89 ARG HA H 89 3.901 3.901 3.901 -0.000 19614 6303 1 16 . 1 1 89 89 ARG C C 89 178.875 178.875 178.782 0.093 19614 6304 1 16 . 1 1 89 89 ARG CA C 89 59.667 59.667 59.309 0.358 19614 6305 1 16 . 1 1 89 89 ARG CB C 89 29.542 29.542 29.291 0.251 19614 6306 1 16 . 1 1 89 89 ARG H H 89 8.616 8.616 7.939 0.677 19614 6307 1 16 . 1 1 90 90 ASN N N 90 118.676 118.676 118.677 -0.001 19614 6308 1 16 . 1 1 90 90 ASN HA H 90 4.478 4.478 4.434 0.044 19614 6309 1 16 . 1 1 90 90 ASN C C 90 177.824 177.824 177.536 0.288 19614 6310 1 16 . 1 1 90 90 ASN CA C 90 55.393 55.393 55.888 -0.494 19614 6311 1 16 . 1 1 90 90 ASN CB C 90 37.874 37.874 38.156 -0.282 19614 6312 1 16 . 1 1 90 90 ASN H H 90 7.935 7.935 7.650 0.285 19614 6313 1 16 . 1 1 91 91 LEU N N 91 119.885 119.885 118.888 0.997 19614 6314 1 16 . 1 1 91 91 LEU HA H 91 4.045 4.045 4.051 -0.006 19614 6315 1 16 . 1 1 91 91 LEU C C 91 178.707 178.707 179.020 -0.313 19614 6316 1 16 . 1 1 91 91 LEU CA C 91 56.705 56.705 56.869 -0.164 19614 6317 1 16 . 1 1 91 91 LEU CB C 91 41.918 41.918 41.556 0.362 19614 6318 1 16 . 1 1 91 91 LEU H H 91 7.890 7.890 8.091 -0.201 19614 6319 1 16 . 1 1 92 92 GLN N N 92 118.288 118.288 118.227 0.061 19614 6320 1 16 . 1 1 92 92 GLN HA H 92 4.149 4.149 4.093 0.056 19614 6321 1 16 . 1 1 92 92 GLN C C 92 176.562 176.562 178.271 -1.709 19614 6322 1 16 . 1 1 92 92 GLN CA C 92 57.055 57.055 58.475 -1.420 19614 6323 1 16 . 1 1 92 92 GLN CB C 92 28.937 28.937 29.041 -0.104 19614 6324 1 16 . 1 1 92 92 GLN H H 92 7.683 7.683 8.221 -0.538 19614 6325 1 16 . 1 1 93 93 ARG N N 93 119.664 119.664 117.493 2.171 19614 6326 1 16 . 1 1 93 93 ARG HA H 93 4.238 4.238 4.411 -0.173 19614 6327 1 16 . 1 1 93 93 ARG C C 93 175.928 175.928 177.184 -1.256 19614 6328 1 16 . 1 1 93 93 ARG CA C 93 56.467 56.467 56.757 -0.290 19614 6329 1 16 . 1 1 93 93 ARG CB C 93 30.459 30.459 29.172 1.287 19614 6330 1 16 . 1 1 93 93 ARG H H 93 7.786 7.786 8.278 -0.492 19614 6331 1 16 . 1 1 94 94 ALA N N 94 124.562 124.562 121.780 2.782 19614 6332 1 16 . 1 1 94 94 ALA HA H 94 4.308 4.308 4.283 0.025 19614 6333 1 16 . 1 1 94 94 ALA C C 94 176.753 176.753 176.489 0.264 19614 6334 1 16 . 1 1 94 94 ALA CA C 94 52.465 52.465 52.941 -0.476 19614 6335 1 16 . 1 1 94 94 ALA CB C 94 19.023 19.023 18.887 0.136 19614 6336 1 16 . 1 1 94 94 ALA H H 94 8.017 8.017 8.250 -0.233 19614 6337 1 17 . 1 1 27 27 LYS HA H 27 4.626 4.626 4.761 -0.135 19614 6338 1 17 . 1 1 27 27 LYS CA C 27 54.410 54.410 55.000 -0.590 19614 6339 1 17 . 1 1 27 27 LYS CB C 27 32.346 32.346 32.719 -0.373 19614 6340 1 17 . 1 1 28 28 PRO HA H 28 4.402 4.402 4.593 -0.191 19614 6341 1 17 . 1 1 28 28 PRO C C 28 176.815 176.815 176.628 0.187 19614 6342 1 17 . 1 1 28 28 PRO CA C 28 62.876 62.876 62.528 0.348 19614 6343 1 17 . 1 1 28 28 PRO CB C 28 32.162 32.162 32.739 -0.577 19614 6344 1 17 . 1 1 29 29 LYS N N 29 122.449 122.449 119.658 2.791 19614 6345 1 17 . 1 1 29 29 LYS HA H 29 4.297 4.297 4.417 -0.120 19614 6346 1 17 . 1 1 29 29 LYS C C 29 176.961 176.961 176.676 0.285 19614 6347 1 17 . 1 1 29 29 LYS CA C 29 56.463 56.463 56.411 0.052 19614 6348 1 17 . 1 1 29 29 LYS CB C 29 32.816 32.816 32.586 0.230 19614 6349 1 17 . 1 1 29 29 LYS H H 29 8.586 8.586 8.491 0.095 19614 6350 1 17 . 1 1 30 30 THR N N 30 115.695 115.695 118.062 -2.367 19614 6351 1 17 . 1 1 30 30 THR HA H 30 4.293 4.293 4.320 -0.027 19614 6352 1 17 . 1 1 30 30 THR C C 30 174.354 174.354 173.707 0.647 19614 6353 1 17 . 1 1 30 30 THR CA C 30 61.555 61.555 62.200 -0.645 19614 6354 1 17 . 1 1 30 30 THR CB C 30 69.949 69.949 68.314 1.635 19614 6355 1 17 . 1 1 30 30 THR H H 30 8.219 8.219 7.720 0.499 19614 6356 1 17 . 1 1 31 31 ALA N N 31 125.923 125.923 131.534 -5.611 19614 6357 1 17 . 1 1 31 31 ALA HA H 31 4.312 4.312 4.273 0.039 19614 6358 1 17 . 1 1 31 31 ALA C C 31 178.014 178.014 176.368 1.646 19614 6359 1 17 . 1 1 31 31 ALA CA C 31 52.781 52.781 51.892 0.889 19614 6360 1 17 . 1 1 31 31 ALA CB C 31 19.125 19.125 18.805 0.320 19614 6361 1 17 . 1 1 31 31 ALA H H 31 8.505 8.505 8.381 0.124 19614 6362 1 17 . 1 1 32 32 SER N N 32 115.249 115.249 118.797 -3.548 19614 6363 1 17 . 1 1 32 32 SER HA H 32 4.338 4.338 4.535 -0.197 19614 6364 1 17 . 1 1 32 32 SER C C 32 174.783 174.783 173.581 1.202 19614 6365 1 17 . 1 1 32 32 SER CA C 32 58.633 58.633 57.003 1.630 19614 6366 1 17 . 1 1 32 32 SER CB C 32 63.475 63.475 64.885 -1.410 19614 6367 1 17 . 1 1 32 32 SER H H 32 8.365 8.365 7.954 0.411 19614 6368 1 17 . 1 1 33 33 GLU N N 33 122.748 122.748 121.514 1.234 19614 6369 1 17 . 1 1 33 33 GLU HA H 33 4.205 4.205 3.913 0.292 19614 6370 1 17 . 1 1 33 33 GLU C C 33 176.411 176.411 174.539 1.872 19614 6371 1 17 . 1 1 33 33 GLU CA C 33 56.678 56.678 57.335 -0.657 19614 6372 1 17 . 1 1 33 33 GLU CB C 33 30.241 30.241 28.393 1.848 19614 6373 1 17 . 1 1 33 33 GLU H H 33 8.390 8.390 8.836 -0.446 19614 6374 1 17 . 1 1 34 34 HIS N N 34 120.453 120.453 120.831 -0.378 19614 6375 1 17 . 1 1 34 34 HIS HA H 34 4.605 4.605 4.573 0.032 19614 6376 1 17 . 1 1 34 34 HIS C C 34 175.167 175.167 175.136 0.031 19614 6377 1 17 . 1 1 34 34 HIS CA C 34 56.035 56.035 56.178 -0.143 19614 6378 1 17 . 1 1 34 34 HIS CB C 34 29.938 29.938 29.073 0.865 19614 6379 1 17 . 1 1 34 34 HIS H H 34 8.431 8.431 8.404 0.027 19614 6380 1 17 . 1 1 35 35 ARG N N 35 122.797 122.797 125.678 -2.881 19614 6381 1 17 . 1 1 35 35 ARG HA H 35 4.261 4.261 4.592 -0.331 19614 6382 1 17 . 1 1 35 35 ARG C C 35 176.411 176.411 175.261 1.150 19614 6383 1 17 . 1 1 35 35 ARG CA C 35 56.306 56.306 54.254 2.052 19614 6384 1 17 . 1 1 35 35 ARG CB C 35 30.587 30.587 31.221 -0.634 19614 6385 1 17 . 1 1 35 35 ARG H H 35 8.419 8.419 7.997 0.422 19614 6386 1 17 . 1 1 36 36 LYS N N 36 122.974 122.974 124.276 -1.302 19614 6387 1 17 . 1 1 36 36 LYS HA H 36 4.288 4.288 4.886 -0.598 19614 6388 1 17 . 1 1 36 36 LYS C C 36 176.738 176.738 175.212 1.526 19614 6389 1 17 . 1 1 36 36 LYS CA C 36 56.514 56.514 55.322 1.192 19614 6390 1 17 . 1 1 36 36 LYS CB C 36 32.857 32.857 34.233 -1.376 19614 6391 1 17 . 1 1 36 36 LYS H H 36 8.482 8.482 8.493 -0.011 19614 6392 1 17 . 1 1 37 37 SER N N 37 117.137 117.137 117.506 -0.369 19614 6393 1 17 . 1 1 37 37 SER HA H 37 4.469 4.469 4.873 -0.404 19614 6394 1 17 . 1 1 37 37 SER C C 37 174.495 174.495 174.619 -0.124 19614 6395 1 17 . 1 1 37 37 SER CA C 37 58.115 58.115 57.107 1.008 19614 6396 1 17 . 1 1 37 37 SER CB C 37 63.627 63.627 64.762 -1.135 19614 6397 1 17 . 1 1 37 37 SER H H 37 8.410 8.410 8.864 -0.454 19614 6398 1 17 . 1 1 38 38 SER N N 38 118.622 118.622 114.942 3.680 19614 6399 1 17 . 1 1 38 38 SER HA H 38 4.467 4.467 4.468 -0.001 19614 6400 1 17 . 1 1 38 38 SER C C 38 174.332 174.332 173.543 0.789 19614 6401 1 17 . 1 1 38 38 SER CA C 38 58.187 58.187 59.502 -1.315 19614 6402 1 17 . 1 1 38 38 SER CB C 38 63.703 63.703 63.486 0.217 19614 6403 1 17 . 1 1 38 38 SER H H 38 8.456 8.456 8.514 -0.058 19614 6404 1 17 . 1 1 39 39 LYS N N 39 124.176 124.176 122.408 1.768 19614 6405 1 17 . 1 1 39 39 LYS HA H 39 4.478 4.478 4.800 -0.322 19614 6406 1 17 . 1 1 39 39 LYS C C 39 174.904 174.904 175.054 -0.150 19614 6407 1 17 . 1 1 39 39 LYS CA C 39 56.707 56.707 52.944 3.763 19614 6408 1 17 . 1 1 39 39 LYS CB C 39 31.595 31.595 32.746 -1.151 19614 6409 1 17 . 1 1 39 39 LYS H H 39 8.489 8.489 7.450 1.039 19614 6410 1 17 . 1 1 40 40 PRO HA H 40 4.401 4.401 4.295 0.106 19614 6411 1 17 . 1 1 40 40 PRO C C 40 178.173 178.173 178.638 -0.465 19614 6412 1 17 . 1 1 40 40 PRO CA C 40 64.315 64.315 65.494 -1.179 19614 6413 1 17 . 1 1 40 40 PRO CB C 40 31.675 31.675 31.955 -0.280 19614 6414 1 17 . 1 1 41 41 ILE N N 41 120.414 120.414 117.889 2.525 19614 6415 1 17 . 1 1 41 41 ILE HA H 41 3.967 3.967 3.869 0.098 19614 6416 1 17 . 1 1 41 41 ILE C C 41 177.393 177.393 177.514 -0.121 19614 6417 1 17 . 1 1 41 41 ILE CA C 41 62.575 62.575 64.625 -2.050 19614 6418 1 17 . 1 1 41 41 ILE CB C 41 37.900 37.900 37.792 0.108 19614 6419 1 17 . 1 1 41 41 ILE H H 41 8.011 8.011 7.852 0.159 19614 6420 1 17 . 1 1 42 42 MET N N 42 122.411 122.411 117.970 4.441 19614 6421 1 17 . 1 1 42 42 MET HA H 42 4.330 4.330 4.177 0.153 19614 6422 1 17 . 1 1 42 42 MET C C 42 178.050 178.050 178.649 -0.599 19614 6423 1 17 . 1 1 42 42 MET CA C 42 56.959 56.959 58.127 -1.169 19614 6424 1 17 . 1 1 42 42 MET CB C 42 32.024 32.024 31.142 0.881 19614 6425 1 17 . 1 1 42 42 MET H H 42 8.335 8.335 8.007 0.328 19614 6426 1 17 . 1 1 43 43 GLU N N 43 121.832 121.832 118.139 3.693 19614 6427 1 17 . 1 1 43 43 GLU HA H 43 4.193 4.193 4.046 0.147 19614 6428 1 17 . 1 1 43 43 GLU C C 43 177.835 177.835 178.832 -0.997 19614 6429 1 17 . 1 1 43 43 GLU CA C 43 58.157 58.157 59.100 -0.943 19614 6430 1 17 . 1 1 43 43 GLU CB C 43 29.543 29.543 28.835 0.708 19614 6431 1 17 . 1 1 43 43 GLU H H 43 8.397 8.397 8.307 0.090 19614 6432 1 17 . 1 1 44 44 LYS N N 44 121.347 121.347 121.365 -0.018 19614 6433 1 17 . 1 1 44 44 LYS HA H 44 4.083 4.083 4.026 0.057 19614 6434 1 17 . 1 1 44 44 LYS C C 44 178.745 178.745 178.813 -0.068 19614 6435 1 17 . 1 1 44 44 LYS CA C 44 58.846 58.846 59.748 -0.902 19614 6436 1 17 . 1 1 44 44 LYS CB C 44 32.493 32.493 32.443 0.050 19614 6437 1 17 . 1 1 44 44 LYS H H 44 8.124 8.124 7.659 0.465 19614 6438 1 17 . 1 1 45 45 ARG N N 45 120.603 120.603 118.556 2.047 19614 6439 1 17 . 1 1 45 45 ARG HA H 45 4.247 4.247 3.976 0.271 19614 6440 1 17 . 1 1 45 45 ARG C C 45 178.025 178.025 178.572 -0.547 19614 6441 1 17 . 1 1 45 45 ARG CA C 45 58.201 58.201 59.895 -1.694 19614 6442 1 17 . 1 1 45 45 ARG CB C 45 29.888 29.888 30.156 -0.268 19614 6443 1 17 . 1 1 45 45 ARG H H 45 8.219 8.219 8.460 -0.241 19614 6444 1 17 . 1 1 46 46 ARG N N 46 121.714 121.714 120.060 1.654 19614 6445 1 17 . 1 1 46 46 ARG HA H 46 3.908 3.908 3.990 -0.082 19614 6446 1 17 . 1 1 46 46 ARG C C 46 177.855 177.855 178.205 -0.350 19614 6447 1 17 . 1 1 46 46 ARG CA C 46 59.726 59.726 59.578 0.148 19614 6448 1 17 . 1 1 46 46 ARG CB C 46 30.215 30.215 30.144 0.071 19614 6449 1 17 . 1 1 46 46 ARG H H 46 8.245 8.245 8.350 -0.105 19614 6450 1 17 . 1 1 47 47 ARG N N 47 118.469 118.469 119.050 -0.581 19614 6451 1 17 . 1 1 47 47 ARG HA H 47 3.961 3.961 4.018 -0.057 19614 6452 1 17 . 1 1 47 47 ARG C C 47 177.899 177.899 178.315 -0.416 19614 6453 1 17 . 1 1 47 47 ARG CA C 47 58.541 58.541 59.351 -0.810 19614 6454 1 17 . 1 1 47 47 ARG CB C 47 29.704 29.704 30.188 -0.484 19614 6455 1 17 . 1 1 47 47 ARG H H 47 8.233 8.233 8.212 0.021 19614 6456 1 17 . 1 1 48 48 ALA N N 48 121.720 121.720 121.648 0.072 19614 6457 1 17 . 1 1 48 48 ALA HA H 48 4.205 4.205 4.026 0.179 19614 6458 1 17 . 1 1 48 48 ALA C C 48 180.284 180.284 179.780 0.504 19614 6459 1 17 . 1 1 48 48 ALA CA C 48 54.815 54.815 55.241 -0.426 19614 6460 1 17 . 1 1 48 48 ALA CB C 48 18.025 18.025 18.137 -0.112 19614 6461 1 17 . 1 1 48 48 ALA H H 48 7.962 7.962 8.501 -0.539 19614 6462 1 17 . 1 1 49 49 ARG N N 49 119.603 119.603 118.141 1.462 19614 6463 1 17 . 1 1 49 49 ARG C C 49 179.589 179.589 179.051 0.538 19614 6464 1 17 . 1 1 49 49 ARG CA C 49 59.291 59.291 59.302 -0.011 19614 6465 1 17 . 1 1 49 49 ARG CB C 49 30.993 30.993 30.188 0.805 19614 6466 1 17 . 1 1 49 49 ARG H H 49 8.103 8.103 7.919 0.184 19614 6467 1 17 . 1 1 50 50 ILE N N 50 121.545 121.545 121.789 -0.244 19614 6468 1 17 . 1 1 50 50 ILE HA H 50 3.662 3.662 3.543 0.119 19614 6469 1 17 . 1 1 50 50 ILE C C 50 177.372 177.372 177.742 -0.370 19614 6470 1 17 . 1 1 50 50 ILE CA C 50 65.302 65.302 65.690 -0.388 19614 6471 1 17 . 1 1 50 50 ILE CB C 50 38.216 38.216 37.549 0.667 19614 6472 1 17 . 1 1 50 50 ILE H H 50 8.145 8.145 8.637 -0.492 19614 6473 1 17 . 1 1 51 51 ASN N N 51 117.894 117.894 117.980 -0.086 19614 6474 1 17 . 1 1 51 51 ASN HA H 51 4.407 4.407 4.457 -0.050 19614 6475 1 17 . 1 1 51 51 ASN C C 51 178.725 178.725 178.450 0.275 19614 6476 1 17 . 1 1 51 51 ASN CA C 51 56.205 56.205 56.182 0.023 19614 6477 1 17 . 1 1 51 51 ASN CB C 51 37.594 37.594 37.820 -0.226 19614 6478 1 17 . 1 1 51 51 ASN H H 51 8.431 8.431 8.170 0.261 19614 6479 1 17 . 1 1 52 52 GLU N N 52 121.612 121.612 121.243 0.369 19614 6480 1 17 . 1 1 52 52 GLU HA H 52 4.205 4.205 4.147 0.058 19614 6481 1 17 . 1 1 52 52 GLU C C 52 179.243 179.243 179.330 -0.087 19614 6482 1 17 . 1 1 52 52 GLU CA C 52 59.291 59.291 59.421 -0.130 19614 6483 1 17 . 1 1 52 52 GLU CB C 52 29.101 29.101 29.616 -0.515 19614 6484 1 17 . 1 1 52 52 GLU H H 52 8.299 8.299 8.673 -0.374 19614 6485 1 17 . 1 1 53 53 SER N N 53 116.604 116.604 116.380 0.224 19614 6486 1 17 . 1 1 53 53 SER C C 53 176.283 176.283 176.430 -0.147 19614 6487 1 17 . 1 1 53 53 SER CA C 53 63.032 63.032 62.106 0.926 19614 6488 1 17 . 1 1 53 53 SER H H 53 8.254 8.254 8.350 -0.096 19614 6489 1 17 . 1 1 54 54 LEU N N 54 121.925 121.925 122.232 -0.307 19614 6490 1 17 . 1 1 54 54 LEU HA H 54 3.962 3.962 4.120 -0.158 19614 6491 1 17 . 1 1 54 54 LEU C C 54 178.897 178.897 177.962 0.935 19614 6492 1 17 . 1 1 54 54 LEU CA C 54 58.116 58.116 57.640 0.476 19614 6493 1 17 . 1 1 54 54 LEU CB C 54 41.576 41.576 41.961 -0.385 19614 6494 1 17 . 1 1 54 54 LEU H H 54 8.693 8.693 8.265 0.428 19614 6495 1 17 . 1 1 55 55 SER N N 55 114.515 114.515 116.135 -1.620 19614 6496 1 17 . 1 1 55 55 SER HA H 55 4.181 4.181 4.187 -0.006 19614 6497 1 17 . 1 1 55 55 SER C C 55 177.381 177.381 176.731 0.650 19614 6498 1 17 . 1 1 55 55 SER CA C 55 61.568 61.568 61.981 -0.413 19614 6499 1 17 . 1 1 55 55 SER CB C 55 62.527 62.527 62.936 -0.409 19614 6500 1 17 . 1 1 55 55 SER H H 55 7.823 7.823 8.292 -0.469 19614 6501 1 17 . 1 1 56 56 GLN N N 56 120.605 120.605 121.861 -1.256 19614 6502 1 17 . 1 1 56 56 GLN HA H 56 4.087 4.087 4.179 -0.092 19614 6503 1 17 . 1 1 56 56 GLN C C 56 178.904 178.904 178.143 0.761 19614 6504 1 17 . 1 1 56 56 GLN CA C 56 58.679 58.679 58.195 0.484 19614 6505 1 17 . 1 1 56 56 GLN CB C 56 28.669 28.669 28.062 0.607 19614 6506 1 17 . 1 1 56 56 GLN H H 56 7.886 7.886 7.771 0.115 19614 6507 1 17 . 1 1 57 57 LEU N N 57 120.488 120.488 122.677 -2.189 19614 6508 1 17 . 1 1 57 57 LEU HA H 57 3.953 3.953 3.904 0.049 19614 6509 1 17 . 1 1 57 57 LEU C C 57 177.406 177.406 178.236 -0.830 19614 6510 1 17 . 1 1 57 57 LEU CA C 57 57.957 57.957 58.349 -0.392 19614 6511 1 17 . 1 1 57 57 LEU CB C 57 41.486 41.486 42.048 -0.562 19614 6512 1 17 . 1 1 57 57 LEU H H 57 8.845 8.845 8.239 0.606 19614 6513 1 17 . 1 1 58 58 LYS N N 58 118.053 118.053 116.272 1.781 19614 6514 1 17 . 1 1 58 58 LYS C C 58 176.891 176.891 178.965 -2.074 19614 6515 1 17 . 1 1 58 58 LYS CA C 58 60.535 60.535 59.315 1.220 19614 6516 1 17 . 1 1 58 58 LYS CB C 58 31.903 31.903 31.809 0.094 19614 6517 1 17 . 1 1 58 58 LYS H H 58 8.145 8.145 8.194 -0.049 19614 6518 1 17 . 1 1 59 59 THR N N 59 112.948 112.948 117.738 -4.790 19614 6519 1 17 . 1 1 59 59 THR HA H 59 3.812 3.812 4.028 -0.216 19614 6520 1 17 . 1 1 59 59 THR C C 59 176.273 176.273 176.446 -0.173 19614 6521 1 17 . 1 1 59 59 THR CA C 59 66.367 66.367 67.421 -1.054 19614 6522 1 17 . 1 1 59 59 THR CB C 59 68.902 68.902 68.664 0.238 19614 6523 1 17 . 1 1 59 59 THR H H 59 7.393 7.393 7.531 -0.138 19614 6524 1 17 . 1 1 60 60 LEU N N 60 120.435 120.435 121.422 -0.987 19614 6525 1 17 . 1 1 60 60 LEU HA H 60 4.066 4.066 3.946 0.120 19614 6526 1 17 . 1 1 60 60 LEU C C 60 179.994 179.994 178.897 1.097 19614 6527 1 17 . 1 1 60 60 LEU CA C 60 58.096 58.096 57.884 0.212 19614 6528 1 17 . 1 1 60 60 LEU CB C 60 43.107 43.107 41.488 1.619 19614 6529 1 17 . 1 1 60 60 LEU H H 60 8.005 8.005 8.347 -0.342 19614 6530 1 17 . 1 1 61 61 ILE N N 61 120.041 120.041 119.480 0.561 19614 6531 1 17 . 1 1 61 61 ILE HA H 61 3.934 3.934 3.575 0.359 19614 6532 1 17 . 1 1 61 61 ILE C C 61 176.957 176.957 178.448 -1.491 19614 6533 1 17 . 1 1 61 61 ILE CA C 61 60.979 60.979 63.470 -2.491 19614 6534 1 17 . 1 1 61 61 ILE CB C 61 37.229 37.229 36.777 0.452 19614 6535 1 17 . 1 1 61 61 ILE H H 61 8.847 8.847 8.172 0.675 19614 6536 1 17 . 1 1 62 62 LEU N N 62 121.236 121.236 120.072 1.164 19614 6537 1 17 . 1 1 62 62 LEU HA H 62 3.909 3.909 3.988 -0.079 19614 6538 1 17 . 1 1 62 62 LEU C C 62 179.562 179.562 178.456 1.106 19614 6539 1 17 . 1 1 62 62 LEU CA C 62 58.035 58.035 57.571 0.464 19614 6540 1 17 . 1 1 62 62 LEU CB C 62 40.219 40.219 41.588 -1.369 19614 6541 1 17 . 1 1 62 62 LEU H H 62 7.944 7.944 8.070 -0.126 19614 6542 1 17 . 1 1 63 63 ASP N N 63 117.983 117.983 118.615 -0.632 19614 6543 1 17 . 1 1 63 63 ASP HA H 63 4.458 4.458 4.309 0.149 19614 6544 1 17 . 1 1 63 63 ASP C C 63 178.858 178.858 177.075 1.783 19614 6545 1 17 . 1 1 63 63 ASP CA C 63 56.964 56.964 56.749 0.215 19614 6546 1 17 . 1 1 63 63 ASP CB C 63 40.822 40.822 41.260 -0.438 19614 6547 1 17 . 1 1 63 63 ASP H H 63 7.844 7.844 8.021 -0.177 19614 6548 1 17 . 1 1 64 64 ALA N N 64 122.425 122.425 119.770 2.655 19614 6549 1 17 . 1 1 64 64 ALA HA H 64 4.086 4.086 4.268 -0.182 19614 6550 1 17 . 1 1 64 64 ALA C C 64 179.354 179.354 179.206 0.148 19614 6551 1 17 . 1 1 64 64 ALA CA C 64 54.396 54.396 54.154 0.242 19614 6552 1 17 . 1 1 64 64 ALA CB C 64 17.785 17.785 19.288 -1.503 19614 6553 1 17 . 1 1 64 64 ALA H H 64 7.869 7.869 7.441 0.428 19614 6554 1 17 . 1 1 65 65 LEU N N 65 116.489 116.489 116.050 0.439 19614 6555 1 17 . 1 1 65 65 LEU HA H 65 4.222 4.222 4.198 0.024 19614 6556 1 17 . 1 1 65 65 LEU C C 65 176.661 176.661 176.946 -0.285 19614 6557 1 17 . 1 1 65 65 LEU CA C 65 54.642 54.642 55.127 -0.485 19614 6558 1 17 . 1 1 65 65 LEU CB C 65 41.957 41.957 42.572 -0.615 19614 6559 1 17 . 1 1 65 65 LEU H H 65 7.669 7.669 7.571 0.098 19614 6560 1 17 . 1 1 66 66 LYS N N 66 118.229 118.229 116.871 1.358 19614 6561 1 17 . 1 1 66 66 LYS HA H 66 4.058 4.058 3.999 0.059 19614 6562 1 17 . 1 1 66 66 LYS C C 66 176.651 176.651 175.908 0.743 19614 6563 1 17 . 1 1 66 66 LYS CA C 66 57.100 57.100 57.065 0.035 19614 6564 1 17 . 1 1 66 66 LYS CB C 66 30.249 30.249 29.577 0.672 19614 6565 1 17 . 1 1 66 66 LYS H H 66 7.806 7.806 8.096 -0.290 19614 6566 1 17 . 1 1 67 67 LYS N N 67 119.380 119.380 118.581 0.799 19614 6567 1 17 . 1 1 67 67 LYS HA H 67 4.278 4.278 4.212 0.066 19614 6568 1 17 . 1 1 67 67 LYS C C 67 176.163 176.163 175.917 0.246 19614 6569 1 17 . 1 1 67 67 LYS CA C 67 55.658 55.658 57.695 -2.037 19614 6570 1 17 . 1 1 67 67 LYS CB C 67 33.462 33.462 33.347 0.115 19614 6571 1 17 . 1 1 67 67 LYS H H 67 8.249 8.249 8.216 0.033 19614 6572 1 17 . 1 1 68 68 ASP N N 68 120.812 120.812 117.276 3.536 19614 6573 1 17 . 1 1 68 68 ASP HA H 68 4.601 4.601 4.839 -0.238 19614 6574 1 17 . 1 1 68 68 ASP C C 68 177.001 177.001 175.769 1.232 19614 6575 1 17 . 1 1 68 68 ASP CA C 68 54.192 54.192 53.624 0.568 19614 6576 1 17 . 1 1 68 68 ASP CB C 68 41.383 41.383 44.354 -2.971 19614 6577 1 17 . 1 1 68 68 ASP H H 68 8.350 8.350 8.195 0.155 19614 6578 1 17 . 1 1 69 69 SER N N 69 119.061 119.061 117.724 1.337 19614 6579 1 17 . 1 1 69 69 SER HA H 69 4.199 4.199 4.432 -0.233 19614 6580 1 17 . 1 1 69 69 SER C C 69 175.643 175.643 175.415 0.228 19614 6581 1 17 . 1 1 69 69 SER CA C 69 59.636 59.636 59.700 -0.064 19614 6582 1 17 . 1 1 69 69 SER CB C 69 63.237 63.237 63.758 -0.521 19614 6583 1 17 . 1 1 69 69 SER H H 69 8.608 8.608 8.704 -0.096 19614 6584 1 17 . 1 1 70 70 SER N N 70 118.325 118.325 115.714 2.611 19614 6585 1 17 . 1 1 70 70 SER HA H 70 4.335 4.335 4.348 -0.013 19614 6586 1 17 . 1 1 70 70 SER C C 70 175.275 175.275 175.761 -0.486 19614 6587 1 17 . 1 1 70 70 SER CA C 70 59.700 59.700 60.717 -1.017 19614 6588 1 17 . 1 1 70 70 SER CB C 70 63.243 63.243 63.512 -0.269 19614 6589 1 17 . 1 1 70 70 SER H H 70 8.514 8.514 8.569 -0.055 19614 6590 1 17 . 1 1 71 71 ARG N N 71 121.317 121.317 119.070 2.247 19614 6591 1 17 . 1 1 71 71 ARG HA H 71 4.231 4.231 4.368 -0.137 19614 6592 1 17 . 1 1 71 71 ARG C C 71 176.223 176.223 176.316 -0.093 19614 6593 1 17 . 1 1 71 71 ARG CA C 71 56.368 56.368 56.167 0.201 19614 6594 1 17 . 1 1 71 71 ARG CB C 71 30.148 30.148 29.978 0.170 19614 6595 1 17 . 1 1 71 71 ARG H H 71 7.965 7.965 7.529 0.436 19614 6596 1 17 . 1 1 72 72 HIS N N 72 118.894 118.894 122.451 -3.557 19614 6597 1 17 . 1 1 72 72 HIS HA H 72 4.663 4.663 4.441 0.222 19614 6598 1 17 . 1 1 72 72 HIS C C 72 175.122 175.122 174.478 0.644 19614 6599 1 17 . 1 1 72 72 HIS CA C 72 55.935 55.935 58.153 -2.218 19614 6600 1 17 . 1 1 72 72 HIS CB C 72 29.974 29.974 30.932 -0.958 19614 6601 1 17 . 1 1 72 72 HIS H H 72 8.036 8.036 7.599 0.437 19614 6602 1 17 . 1 1 73 73 SER N N 73 116.302 116.302 115.055 1.247 19614 6603 1 17 . 1 1 73 73 SER HA H 73 4.313 4.313 3.992 0.321 19614 6604 1 17 . 1 1 73 73 SER C C 73 174.559 174.559 173.499 1.060 19614 6605 1 17 . 1 1 73 73 SER CA C 73 59.297 59.297 59.834 -0.537 19614 6606 1 17 . 1 1 73 73 SER CB C 73 63.522 63.522 62.633 0.889 19614 6607 1 17 . 1 1 73 73 SER H H 73 8.029 8.029 8.144 -0.115 19614 6608 1 17 . 1 1 74 74 LYS N N 74 122.545 122.545 120.415 2.130 19614 6609 1 17 . 1 1 74 74 LYS HA H 74 4.336 4.336 4.441 -0.105 19614 6610 1 17 . 1 1 74 74 LYS C C 74 175.929 175.929 175.072 0.857 19614 6611 1 17 . 1 1 74 74 LYS CA C 74 55.918 55.918 55.570 0.348 19614 6612 1 17 . 1 1 74 74 LYS CB C 74 32.143 32.143 33.423 -1.280 19614 6613 1 17 . 1 1 74 74 LYS H H 74 8.394 8.394 7.403 0.991 19614 6614 1 17 . 1 1 75 75 LEU N N 75 123.393 123.393 122.066 1.327 19614 6615 1 17 . 1 1 75 75 LEU HA H 75 4.402 4.402 4.405 -0.003 19614 6616 1 17 . 1 1 75 75 LEU C C 75 176.575 176.575 176.401 0.174 19614 6617 1 17 . 1 1 75 75 LEU CA C 75 54.697 54.697 54.225 0.472 19614 6618 1 17 . 1 1 75 75 LEU CB C 75 43.481 43.481 42.415 1.066 19614 6619 1 17 . 1 1 75 75 LEU H H 75 7.943 7.943 7.692 0.251 19614 6620 1 17 . 1 1 76 76 GLU N N 76 123.357 123.357 123.544 -0.187 19614 6621 1 17 . 1 1 76 76 GLU HA H 76 4.551 4.551 4.423 0.128 19614 6622 1 17 . 1 1 76 76 GLU C C 76 177.445 177.445 177.066 0.379 19614 6623 1 17 . 1 1 76 76 GLU CA C 76 54.962 54.962 55.626 -0.664 19614 6624 1 17 . 1 1 76 76 GLU CB C 76 31.245 31.245 30.715 0.530 19614 6625 1 17 . 1 1 76 76 GLU H H 76 9.136 9.136 8.527 0.609 19614 6626 1 17 . 1 1 77 77 LYS N N 77 122.655 122.655 124.141 -1.486 19614 6627 1 17 . 1 1 77 77 LYS HA H 77 3.830 3.830 3.876 -0.046 19614 6628 1 17 . 1 1 77 77 LYS C C 77 177.908 177.908 178.329 -0.421 19614 6629 1 17 . 1 1 77 77 LYS CA C 77 61.105 61.105 60.233 0.872 19614 6630 1 17 . 1 1 77 77 LYS CB C 77 32.423 32.423 32.258 0.165 19614 6631 1 17 . 1 1 77 77 LYS H H 77 8.858 8.858 8.876 -0.018 19614 6632 1 17 . 1 1 78 78 ALA N N 78 118.008 118.008 118.498 -0.490 19614 6633 1 17 . 1 1 78 78 ALA HA H 78 3.892 3.892 4.170 -0.278 19614 6634 1 17 . 1 1 78 78 ALA C C 78 179.758 179.758 179.737 0.021 19614 6635 1 17 . 1 1 78 78 ALA CA C 78 55.456 55.456 54.689 0.767 19614 6636 1 17 . 1 1 78 78 ALA CB C 78 17.839 17.839 18.035 -0.196 19614 6637 1 17 . 1 1 78 78 ALA H H 78 9.131 9.131 8.396 0.735 19614 6638 1 17 . 1 1 79 79 ASP N N 79 114.744 114.744 119.236 -4.492 19614 6639 1 17 . 1 1 79 79 ASP HA H 79 4.346 4.346 4.528 -0.182 19614 6640 1 17 . 1 1 79 79 ASP C C 79 178.104 178.104 178.465 -0.361 19614 6641 1 17 . 1 1 79 79 ASP CA C 79 57.088 57.088 57.453 -0.365 19614 6642 1 17 . 1 1 79 79 ASP CB C 79 41.728 41.728 41.225 0.503 19614 6643 1 17 . 1 1 79 79 ASP H H 79 7.052 7.052 7.762 -0.710 19614 6644 1 17 . 1 1 80 80 ILE N N 80 119.398 119.398 120.574 -1.176 19614 6645 1 17 . 1 1 80 80 ILE HA H 80 3.592 3.592 3.665 -0.073 19614 6646 1 17 . 1 1 80 80 ILE C C 80 179.567 179.567 178.079 1.488 19614 6647 1 17 . 1 1 80 80 ILE CA C 80 64.201 64.201 65.644 -1.443 19614 6648 1 17 . 1 1 80 80 ILE CB C 80 37.514 37.514 38.074 -0.560 19614 6649 1 17 . 1 1 80 80 ILE H H 80 7.983 7.983 8.123 -0.140 19614 6650 1 17 . 1 1 81 81 LEU N N 81 120.930 120.930 120.127 0.803 19614 6651 1 17 . 1 1 81 81 LEU HA H 81 3.931 3.931 3.840 0.091 19614 6652 1 17 . 1 1 81 81 LEU C C 81 178.312 178.312 178.802 -0.490 19614 6653 1 17 . 1 1 81 81 LEU CA C 81 58.588 58.588 58.532 0.056 19614 6654 1 17 . 1 1 81 81 LEU CB C 81 41.727 41.727 41.151 0.576 19614 6655 1 17 . 1 1 81 81 LEU H H 81 8.171 8.171 8.338 -0.167 19614 6656 1 17 . 1 1 82 82 GLU N N 82 119.314 119.314 118.925 0.389 19614 6657 1 17 . 1 1 82 82 GLU HA H 82 3.917 3.917 3.968 -0.051 19614 6658 1 17 . 1 1 82 82 GLU C C 82 180.151 180.151 178.899 1.252 19614 6659 1 17 . 1 1 82 82 GLU CA C 82 59.864 59.864 59.249 0.615 19614 6660 1 17 . 1 1 82 82 GLU CB C 82 29.364 29.364 29.521 -0.157 19614 6661 1 17 . 1 1 82 82 GLU H H 82 7.984 7.984 7.743 0.241 19614 6662 1 17 . 1 1 83 83 MET N N 83 118.669 118.669 118.759 -0.090 19614 6663 1 17 . 1 1 83 83 MET HA H 83 4.033 4.033 4.229 -0.196 19614 6664 1 17 . 1 1 83 83 MET C C 83 178.488 178.488 178.559 -0.071 19614 6665 1 17 . 1 1 83 83 MET CA C 83 59.083 59.083 58.933 0.150 19614 6666 1 17 . 1 1 83 83 MET CB C 83 33.883 33.883 32.639 1.244 19614 6667 1 17 . 1 1 83 83 MET H H 83 8.639 8.639 7.682 0.957 19614 6668 1 17 . 1 1 84 84 THR N N 84 118.733 118.733 116.974 1.759 19614 6669 1 17 . 1 1 84 84 THR HA H 84 3.853 3.853 4.139 -0.286 19614 6670 1 17 . 1 1 84 84 THR C C 84 175.659 175.659 176.600 -0.941 19614 6671 1 17 . 1 1 84 84 THR CA C 84 68.029 68.029 67.489 0.540 19614 6672 1 17 . 1 1 84 84 THR CB C 84 67.595 67.595 68.668 -1.073 19614 6673 1 17 . 1 1 84 84 THR H H 84 7.946 7.946 7.779 0.167 19614 6674 1 17 . 1 1 85 85 VAL N N 85 122.083 122.083 121.861 0.222 19614 6675 1 17 . 1 1 85 85 VAL HA H 85 3.311 3.311 3.541 -0.230 19614 6676 1 17 . 1 1 85 85 VAL C C 85 177.078 177.078 177.619 -0.541 19614 6677 1 17 . 1 1 85 85 VAL CA C 85 67.381 67.381 66.813 0.568 19614 6678 1 17 . 1 1 85 85 VAL CB C 85 32.168 32.168 31.431 0.737 19614 6679 1 17 . 1 1 85 85 VAL H H 85 8.089 8.089 8.091 -0.002 19614 6680 1 17 . 1 1 86 86 LYS N N 86 117.409 117.409 118.518 -1.109 19614 6681 1 17 . 1 1 86 86 LYS HA H 86 3.835 3.835 3.967 -0.132 19614 6682 1 17 . 1 1 86 86 LYS C C 86 178.617 178.617 178.906 -0.289 19614 6683 1 17 . 1 1 86 86 LYS CA C 86 60.014 60.014 59.637 0.377 19614 6684 1 17 . 1 1 86 86 LYS CB C 86 32.336 32.336 32.115 0.221 19614 6685 1 17 . 1 1 86 86 LYS H H 86 7.785 7.785 8.565 -0.780 19614 6686 1 17 . 1 1 87 87 HIS N N 87 118.731 118.731 119.074 -0.343 19614 6687 1 17 . 1 1 87 87 HIS HA H 87 4.513 4.513 4.365 0.148 19614 6688 1 17 . 1 1 87 87 HIS C C 87 177.356 177.356 176.968 0.388 19614 6689 1 17 . 1 1 87 87 HIS CA C 87 59.368 59.368 59.478 -0.110 19614 6690 1 17 . 1 1 87 87 HIS CB C 87 32.047 32.047 29.770 2.276 19614 6691 1 17 . 1 1 87 87 HIS H H 87 8.055 8.055 7.814 0.241 19614 6692 1 17 . 1 1 88 88 LEU N N 88 117.189 117.189 117.687 -0.498 19614 6693 1 17 . 1 1 88 88 LEU C C 88 180.158 180.158 178.666 1.492 19614 6694 1 17 . 1 1 88 88 LEU CA C 88 57.927 57.927 57.614 0.313 19614 6695 1 17 . 1 1 88 88 LEU CB C 88 41.748 41.748 41.171 0.577 19614 6696 1 17 . 1 1 88 88 LEU H H 88 8.450 8.450 7.414 1.036 19614 6697 1 17 . 1 1 89 89 ARG N N 89 119.542 119.542 120.360 -0.818 19614 6698 1 17 . 1 1 89 89 ARG HA H 89 3.901 3.901 3.992 -0.091 19614 6699 1 17 . 1 1 89 89 ARG C C 89 178.875 178.875 178.821 0.054 19614 6700 1 17 . 1 1 89 89 ARG CA C 89 59.667 59.667 58.098 1.569 19614 6701 1 17 . 1 1 89 89 ARG CB C 89 29.542 29.542 28.747 0.794 19614 6702 1 17 . 1 1 89 89 ARG H H 89 8.616 8.616 7.882 0.734 19614 6703 1 17 . 1 1 90 90 ASN N N 90 118.676 118.676 118.952 -0.276 19614 6704 1 17 . 1 1 90 90 ASN HA H 90 4.478 4.478 4.482 -0.004 19614 6705 1 17 . 1 1 90 90 ASN C C 90 177.824 177.824 177.878 -0.054 19614 6706 1 17 . 1 1 90 90 ASN CA C 90 55.393 55.393 55.813 -0.420 19614 6707 1 17 . 1 1 90 90 ASN CB C 90 37.874 37.874 38.060 -0.186 19614 6708 1 17 . 1 1 90 90 ASN H H 90 7.935 7.935 7.923 0.012 19614 6709 1 17 . 1 1 91 91 LEU N N 91 119.885 119.885 120.420 -0.535 19614 6710 1 17 . 1 1 91 91 LEU HA H 91 4.045 4.045 3.952 0.093 19614 6711 1 17 . 1 1 91 91 LEU C C 91 178.707 178.707 179.448 -0.741 19614 6712 1 17 . 1 1 91 91 LEU CA C 91 56.705 56.705 57.801 -1.096 19614 6713 1 17 . 1 1 91 91 LEU CB C 91 41.918 41.918 41.636 0.282 19614 6714 1 17 . 1 1 91 91 LEU H H 91 7.890 7.890 8.258 -0.368 19614 6715 1 17 . 1 1 92 92 GLN N N 92 118.288 118.288 118.124 0.164 19614 6716 1 17 . 1 1 92 92 GLN HA H 92 4.149 4.149 4.071 0.078 19614 6717 1 17 . 1 1 92 92 GLN C C 92 176.562 176.562 178.337 -1.775 19614 6718 1 17 . 1 1 92 92 GLN CA C 92 57.055 57.055 58.436 -1.381 19614 6719 1 17 . 1 1 92 92 GLN CB C 92 28.937 28.937 28.282 0.655 19614 6720 1 17 . 1 1 92 92 GLN H H 92 7.683 7.683 8.281 -0.598 19614 6721 1 17 . 1 1 93 93 ARG N N 93 119.664 119.664 117.044 2.620 19614 6722 1 17 . 1 1 93 93 ARG HA H 93 4.238 4.238 4.331 -0.093 19614 6723 1 17 . 1 1 93 93 ARG C C 93 175.928 175.928 177.075 -1.147 19614 6724 1 17 . 1 1 93 93 ARG CA C 93 56.467 56.467 57.075 -0.608 19614 6725 1 17 . 1 1 93 93 ARG CB C 93 30.459 30.459 29.276 1.183 19614 6726 1 17 . 1 1 93 93 ARG H H 93 7.786 7.786 8.117 -0.331 19614 6727 1 17 . 1 1 94 94 ALA N N 94 124.562 124.562 122.133 2.429 19614 6728 1 17 . 1 1 94 94 ALA HA H 94 4.308 4.308 4.231 0.077 19614 6729 1 17 . 1 1 94 94 ALA C C 94 176.753 176.753 176.741 0.012 19614 6730 1 17 . 1 1 94 94 ALA CA C 94 52.465 52.465 53.505 -1.040 19614 6731 1 17 . 1 1 94 94 ALA CB C 94 19.023 19.023 19.357 -0.334 19614 6732 1 17 . 1 1 94 94 ALA H H 94 8.017 8.017 7.936 0.081 19614 6733 1 18 . 1 1 27 27 LYS HA H 27 4.626 4.626 4.665 -0.039 19614 6734 1 18 . 1 1 27 27 LYS CA C 27 54.410 54.410 55.205 -0.795 19614 6735 1 18 . 1 1 27 27 LYS CB C 27 32.346 32.346 32.133 0.213 19614 6736 1 18 . 1 1 28 28 PRO HA H 28 4.402 4.402 4.191 0.211 19614 6737 1 18 . 1 1 28 28 PRO C C 28 176.815 176.815 177.199 -0.384 19614 6738 1 18 . 1 1 28 28 PRO CA C 28 62.876 62.876 64.936 -2.060 19614 6739 1 18 . 1 1 28 28 PRO CB C 28 32.162 32.162 31.833 0.329 19614 6740 1 18 . 1 1 29 29 LYS N N 29 122.449 122.449 118.856 3.593 19614 6741 1 18 . 1 1 29 29 LYS HA H 29 4.297 4.297 4.393 -0.096 19614 6742 1 18 . 1 1 29 29 LYS C C 29 176.961 176.961 176.329 0.632 19614 6743 1 18 . 1 1 29 29 LYS CA C 29 56.463 56.463 56.352 0.111 19614 6744 1 18 . 1 1 29 29 LYS CB C 29 32.816 32.816 31.565 1.251 19614 6745 1 18 . 1 1 29 29 LYS H H 29 8.586 8.586 8.169 0.417 19614 6746 1 18 . 1 1 30 30 THR N N 30 115.695 115.695 117.113 -1.418 19614 6747 1 18 . 1 1 30 30 THR HA H 30 4.293 4.293 4.492 -0.199 19614 6748 1 18 . 1 1 30 30 THR C C 30 174.354 174.354 174.820 -0.466 19614 6749 1 18 . 1 1 30 30 THR CA C 30 61.555 61.555 62.647 -1.092 19614 6750 1 18 . 1 1 30 30 THR CB C 30 69.949 69.949 70.184 -0.236 19614 6751 1 18 . 1 1 30 30 THR H H 30 8.219 8.219 7.844 0.375 19614 6752 1 18 . 1 1 31 31 ALA N N 31 125.923 125.923 124.430 1.493 19614 6753 1 18 . 1 1 31 31 ALA HA H 31 4.312 4.312 4.604 -0.292 19614 6754 1 18 . 1 1 31 31 ALA C C 31 178.014 178.014 176.794 1.220 19614 6755 1 18 . 1 1 31 31 ALA CA C 31 52.781 52.781 51.853 0.928 19614 6756 1 18 . 1 1 31 31 ALA CB C 31 19.125 19.125 19.464 -0.339 19614 6757 1 18 . 1 1 31 31 ALA H H 31 8.505 8.505 8.226 0.279 19614 6758 1 18 . 1 1 32 32 SER N N 32 115.249 115.249 115.828 -0.579 19614 6759 1 18 . 1 1 32 32 SER HA H 32 4.338 4.338 4.521 -0.183 19614 6760 1 18 . 1 1 32 32 SER C C 32 174.783 174.783 174.538 0.245 19614 6761 1 18 . 1 1 32 32 SER CA C 32 58.633 58.633 58.231 0.402 19614 6762 1 18 . 1 1 32 32 SER CB C 32 63.475 63.475 63.496 -0.021 19614 6763 1 18 . 1 1 32 32 SER H H 32 8.365 8.365 7.740 0.625 19614 6764 1 18 . 1 1 33 33 GLU N N 33 122.748 122.748 126.837 -4.089 19614 6765 1 18 . 1 1 33 33 GLU HA H 33 4.205 4.205 4.451 -0.246 19614 6766 1 18 . 1 1 33 33 GLU C C 33 176.411 176.411 176.191 0.220 19614 6767 1 18 . 1 1 33 33 GLU CA C 33 56.678 56.678 55.779 0.899 19614 6768 1 18 . 1 1 33 33 GLU CB C 33 30.241 30.241 30.450 -0.209 19614 6769 1 18 . 1 1 33 33 GLU H H 33 8.390 8.390 8.472 -0.082 19614 6770 1 18 . 1 1 34 34 HIS N N 34 120.453 120.453 124.958 -4.505 19614 6771 1 18 . 1 1 34 34 HIS HA H 34 4.605 4.605 4.510 0.095 19614 6772 1 18 . 1 1 34 34 HIS C C 34 175.167 175.167 174.960 0.207 19614 6773 1 18 . 1 1 34 34 HIS CA C 34 56.035 56.035 56.172 -0.137 19614 6774 1 18 . 1 1 34 34 HIS CB C 34 29.938 29.938 29.690 0.248 19614 6775 1 18 . 1 1 34 34 HIS H H 34 8.431 8.431 8.840 -0.409 19614 6776 1 18 . 1 1 35 35 ARG N N 35 122.797 122.797 125.936 -3.139 19614 6777 1 18 . 1 1 35 35 ARG HA H 35 4.261 4.261 4.195 0.066 19614 6778 1 18 . 1 1 35 35 ARG C C 35 176.411 176.411 175.766 0.645 19614 6779 1 18 . 1 1 35 35 ARG CA C 35 56.306 56.306 56.530 -0.224 19614 6780 1 18 . 1 1 35 35 ARG CB C 35 30.587 30.587 31.507 -0.920 19614 6781 1 18 . 1 1 35 35 ARG H H 35 8.419 8.419 8.421 -0.003 19614 6782 1 18 . 1 1 36 36 LYS N N 36 122.974 122.974 120.973 2.001 19614 6783 1 18 . 1 1 36 36 LYS HA H 36 4.288 4.288 4.551 -0.263 19614 6784 1 18 . 1 1 36 36 LYS C C 36 176.738 176.738 174.546 2.192 19614 6785 1 18 . 1 1 36 36 LYS CA C 36 56.514 56.514 56.537 -0.023 19614 6786 1 18 . 1 1 36 36 LYS CB C 36 32.857 32.857 32.902 -0.045 19614 6787 1 18 . 1 1 36 36 LYS H H 36 8.482 8.482 8.141 0.341 19614 6788 1 18 . 1 1 37 37 SER N N 37 117.137 117.137 119.044 -1.907 19614 6789 1 18 . 1 1 37 37 SER HA H 37 4.469 4.469 4.851 -0.382 19614 6790 1 18 . 1 1 37 37 SER C C 37 174.495 174.495 172.855 1.640 19614 6791 1 18 . 1 1 37 37 SER CA C 37 58.115 58.115 58.057 0.058 19614 6792 1 18 . 1 1 37 37 SER CB C 37 63.627 63.627 66.188 -2.561 19614 6793 1 18 . 1 1 37 37 SER H H 37 8.410 8.410 8.515 -0.105 19614 6794 1 18 . 1 1 38 38 SER N N 38 118.622 118.622 116.358 2.264 19614 6795 1 18 . 1 1 38 38 SER HA H 38 4.467 4.467 4.402 0.065 19614 6796 1 18 . 1 1 38 38 SER C C 38 174.332 174.332 173.253 1.079 19614 6797 1 18 . 1 1 38 38 SER CA C 38 58.187 58.187 59.411 -1.224 19614 6798 1 18 . 1 1 38 38 SER CB C 38 63.703 63.703 63.961 -0.258 19614 6799 1 18 . 1 1 38 38 SER H H 38 8.456 8.456 8.432 0.024 19614 6800 1 18 . 1 1 39 39 LYS N N 39 124.176 124.176 125.062 -0.886 19614 6801 1 18 . 1 1 39 39 LYS HA H 39 4.478 4.478 4.754 -0.276 19614 6802 1 18 . 1 1 39 39 LYS C C 39 174.904 174.904 175.168 -0.264 19614 6803 1 18 . 1 1 39 39 LYS CA C 39 56.707 56.707 53.329 3.378 19614 6804 1 18 . 1 1 39 39 LYS CB C 39 31.595 31.595 32.950 -1.355 19614 6805 1 18 . 1 1 39 39 LYS H H 39 8.489 8.489 8.230 0.259 19614 6806 1 18 . 1 1 40 40 PRO HA H 40 4.401 4.401 4.684 -0.283 19614 6807 1 18 . 1 1 40 40 PRO C C 40 178.173 178.173 178.715 -0.542 19614 6808 1 18 . 1 1 40 40 PRO CA C 40 64.315 64.315 64.841 -0.526 19614 6809 1 18 . 1 1 40 40 PRO CB C 40 31.675 31.675 32.210 -0.535 19614 6810 1 18 . 1 1 41 41 ILE N N 41 120.414 120.414 117.941 2.473 19614 6811 1 18 . 1 1 41 41 ILE HA H 41 3.967 3.967 3.983 -0.016 19614 6812 1 18 . 1 1 41 41 ILE C C 41 177.393 177.393 177.350 0.043 19614 6813 1 18 . 1 1 41 41 ILE CA C 41 62.575 62.575 64.186 -1.611 19614 6814 1 18 . 1 1 41 41 ILE CB C 41 37.900 37.900 37.841 0.059 19614 6815 1 18 . 1 1 41 41 ILE H H 41 8.011 8.011 7.839 0.172 19614 6816 1 18 . 1 1 42 42 MET N N 42 122.411 122.411 118.689 3.722 19614 6817 1 18 . 1 1 42 42 MET HA H 42 4.330 4.330 4.196 0.134 19614 6818 1 18 . 1 1 42 42 MET C C 42 178.050 178.050 178.631 -0.581 19614 6819 1 18 . 1 1 42 42 MET CA C 42 56.959 56.959 58.070 -1.111 19614 6820 1 18 . 1 1 42 42 MET CB C 42 32.024 32.024 31.088 0.935 19614 6821 1 18 . 1 1 42 42 MET H H 42 8.335 8.335 8.085 0.250 19614 6822 1 18 . 1 1 43 43 GLU N N 43 121.832 121.832 118.446 3.386 19614 6823 1 18 . 1 1 43 43 GLU HA H 43 4.193 4.193 3.966 0.227 19614 6824 1 18 . 1 1 43 43 GLU C C 43 177.835 177.835 178.488 -0.653 19614 6825 1 18 . 1 1 43 43 GLU CA C 43 58.157 58.157 59.514 -1.357 19614 6826 1 18 . 1 1 43 43 GLU CB C 43 29.543 29.543 28.797 0.747 19614 6827 1 18 . 1 1 43 43 GLU H H 43 8.397 8.397 8.797 -0.400 19614 6828 1 18 . 1 1 44 44 LYS N N 44 121.347 121.347 121.040 0.307 19614 6829 1 18 . 1 1 44 44 LYS HA H 44 4.083 4.083 4.023 0.060 19614 6830 1 18 . 1 1 44 44 LYS C C 44 178.745 178.745 178.990 -0.245 19614 6831 1 18 . 1 1 44 44 LYS CA C 44 58.846 58.846 59.272 -0.426 19614 6832 1 18 . 1 1 44 44 LYS CB C 44 32.493 32.493 32.405 0.088 19614 6833 1 18 . 1 1 44 44 LYS H H 44 8.124 8.124 7.590 0.534 19614 6834 1 18 . 1 1 45 45 ARG N N 45 120.603 120.603 118.700 1.903 19614 6835 1 18 . 1 1 45 45 ARG HA H 45 4.247 4.247 3.931 0.316 19614 6836 1 18 . 1 1 45 45 ARG C C 45 178.025 178.025 178.873 -0.848 19614 6837 1 18 . 1 1 45 45 ARG CA C 45 58.201 58.201 59.797 -1.597 19614 6838 1 18 . 1 1 45 45 ARG CB C 45 29.888 29.888 30.116 -0.228 19614 6839 1 18 . 1 1 45 45 ARG H H 45 8.219 8.219 8.379 -0.160 19614 6840 1 18 . 1 1 46 46 ARG N N 46 121.714 121.714 118.981 2.733 19614 6841 1 18 . 1 1 46 46 ARG HA H 46 3.908 3.908 4.064 -0.156 19614 6842 1 18 . 1 1 46 46 ARG C C 46 177.855 177.855 178.266 -0.411 19614 6843 1 18 . 1 1 46 46 ARG CA C 46 59.726 59.726 59.188 0.538 19614 6844 1 18 . 1 1 46 46 ARG CB C 46 30.215 30.215 30.211 0.004 19614 6845 1 18 . 1 1 46 46 ARG H H 46 8.245 8.245 7.987 0.258 19614 6846 1 18 . 1 1 47 47 ARG N N 47 118.469 118.469 119.624 -1.155 19614 6847 1 18 . 1 1 47 47 ARG HA H 47 3.961 3.961 3.985 -0.024 19614 6848 1 18 . 1 1 47 47 ARG C C 47 177.899 177.899 178.201 -0.302 19614 6849 1 18 . 1 1 47 47 ARG CA C 47 58.541 58.541 59.515 -0.974 19614 6850 1 18 . 1 1 47 47 ARG CB C 47 29.704 29.704 30.159 -0.455 19614 6851 1 18 . 1 1 47 47 ARG H H 47 8.233 8.233 8.324 -0.091 19614 6852 1 18 . 1 1 48 48 ALA N N 48 121.720 121.720 121.428 0.292 19614 6853 1 18 . 1 1 48 48 ALA HA H 48 4.205 4.205 4.063 0.142 19614 6854 1 18 . 1 1 48 48 ALA C C 48 180.284 180.284 179.942 0.342 19614 6855 1 18 . 1 1 48 48 ALA CA C 48 54.815 54.815 55.198 -0.383 19614 6856 1 18 . 1 1 48 48 ALA CB C 48 18.025 18.025 18.149 -0.124 19614 6857 1 18 . 1 1 48 48 ALA H H 48 7.962 7.962 8.358 -0.396 19614 6858 1 18 . 1 1 49 49 ARG N N 49 119.603 119.603 118.376 1.227 19614 6859 1 18 . 1 1 49 49 ARG C C 49 179.589 179.589 179.270 0.319 19614 6860 1 18 . 1 1 49 49 ARG CA C 49 59.291 59.291 57.644 1.647 19614 6861 1 18 . 1 1 49 49 ARG CB C 49 30.993 30.993 29.426 1.567 19614 6862 1 18 . 1 1 49 49 ARG H H 49 8.103 8.103 7.665 0.438 19614 6863 1 18 . 1 1 50 50 ILE N N 50 121.545 121.545 121.813 -0.268 19614 6864 1 18 . 1 1 50 50 ILE HA H 50 3.662 3.662 3.558 0.104 19614 6865 1 18 . 1 1 50 50 ILE C C 50 177.372 177.372 177.762 -0.390 19614 6866 1 18 . 1 1 50 50 ILE CA C 50 65.302 65.302 65.790 -0.488 19614 6867 1 18 . 1 1 50 50 ILE CB C 50 38.216 38.216 37.377 0.839 19614 6868 1 18 . 1 1 50 50 ILE H H 50 8.145 8.145 8.742 -0.597 19614 6869 1 18 . 1 1 51 51 ASN N N 51 117.894 117.894 118.020 -0.126 19614 6870 1 18 . 1 1 51 51 ASN HA H 51 4.407 4.407 4.429 -0.022 19614 6871 1 18 . 1 1 51 51 ASN C C 51 178.725 178.725 178.196 0.529 19614 6872 1 18 . 1 1 51 51 ASN CA C 51 56.205 56.205 56.230 -0.025 19614 6873 1 18 . 1 1 51 51 ASN CB C 51 37.594 37.594 37.817 -0.223 19614 6874 1 18 . 1 1 51 51 ASN H H 51 8.431 8.431 8.066 0.365 19614 6875 1 18 . 1 1 52 52 GLU N N 52 121.612 121.612 120.938 0.674 19614 6876 1 18 . 1 1 52 52 GLU HA H 52 4.205 4.205 4.033 0.172 19614 6877 1 18 . 1 1 52 52 GLU C C 52 179.243 179.243 179.198 0.045 19614 6878 1 18 . 1 1 52 52 GLU CA C 52 59.291 59.291 59.577 -0.286 19614 6879 1 18 . 1 1 52 52 GLU CB C 52 29.101 29.101 29.516 -0.415 19614 6880 1 18 . 1 1 52 52 GLU H H 52 8.299 8.299 8.765 -0.466 19614 6881 1 18 . 1 1 53 53 SER N N 53 116.604 116.604 116.421 0.183 19614 6882 1 18 . 1 1 53 53 SER C C 53 176.283 176.283 176.460 -0.177 19614 6883 1 18 . 1 1 53 53 SER CA C 53 63.032 63.032 62.139 0.894 19614 6884 1 18 . 1 1 53 53 SER H H 53 8.254 8.254 8.268 -0.014 19614 6885 1 18 . 1 1 54 54 LEU N N 54 121.925 121.925 122.858 -0.933 19614 6886 1 18 . 1 1 54 54 LEU HA H 54 3.962 3.962 4.028 -0.066 19614 6887 1 18 . 1 1 54 54 LEU C C 54 178.897 178.897 177.907 0.990 19614 6888 1 18 . 1 1 54 54 LEU CA C 54 58.116 58.116 57.848 0.268 19614 6889 1 18 . 1 1 54 54 LEU CB C 54 41.576 41.576 41.866 -0.290 19614 6890 1 18 . 1 1 54 54 LEU H H 54 8.693 8.693 8.483 0.210 19614 6891 1 18 . 1 1 55 55 SER N N 55 114.515 114.515 115.330 -0.815 19614 6892 1 18 . 1 1 55 55 SER HA H 55 4.181 4.181 4.043 0.138 19614 6893 1 18 . 1 1 55 55 SER C C 55 177.381 177.381 176.748 0.633 19614 6894 1 18 . 1 1 55 55 SER CA C 55 61.568 61.568 62.304 -0.736 19614 6895 1 18 . 1 1 55 55 SER CB C 55 62.527 62.527 63.224 -0.697 19614 6896 1 18 . 1 1 55 55 SER H H 55 7.823 7.823 8.336 -0.513 19614 6897 1 18 . 1 1 56 56 GLN N N 56 120.605 120.605 120.862 -0.257 19614 6898 1 18 . 1 1 56 56 GLN HA H 56 4.087 4.087 4.127 -0.040 19614 6899 1 18 . 1 1 56 56 GLN C C 56 178.904 178.904 178.151 0.753 19614 6900 1 18 . 1 1 56 56 GLN CA C 56 58.679 58.679 58.296 0.383 19614 6901 1 18 . 1 1 56 56 GLN CB C 56 28.669 28.669 28.334 0.335 19614 6902 1 18 . 1 1 56 56 GLN H H 56 7.886 7.886 7.777 0.109 19614 6903 1 18 . 1 1 57 57 LEU N N 57 120.488 120.488 122.845 -2.357 19614 6904 1 18 . 1 1 57 57 LEU HA H 57 3.953 3.953 3.898 0.055 19614 6905 1 18 . 1 1 57 57 LEU C C 57 177.406 177.406 178.326 -0.920 19614 6906 1 18 . 1 1 57 57 LEU CA C 57 57.957 57.957 58.399 -0.442 19614 6907 1 18 . 1 1 57 57 LEU CB C 57 41.486 41.486 42.127 -0.641 19614 6908 1 18 . 1 1 57 57 LEU H H 57 8.845 8.845 8.325 0.520 19614 6909 1 18 . 1 1 58 58 LYS N N 58 118.053 118.053 117.125 0.928 19614 6910 1 18 . 1 1 58 58 LYS C C 58 176.891 176.891 179.125 -2.234 19614 6911 1 18 . 1 1 58 58 LYS CA C 58 60.535 60.535 58.977 1.558 19614 6912 1 18 . 1 1 58 58 LYS CB C 58 31.903 31.903 31.412 0.491 19614 6913 1 18 . 1 1 58 58 LYS H H 58 8.145 8.145 8.245 -0.100 19614 6914 1 18 . 1 1 59 59 THR N N 59 112.948 112.948 118.156 -5.208 19614 6915 1 18 . 1 1 59 59 THR HA H 59 3.812 3.812 4.023 -0.211 19614 6916 1 18 . 1 1 59 59 THR C C 59 176.273 176.273 176.570 -0.297 19614 6917 1 18 . 1 1 59 59 THR CA C 59 66.367 66.367 66.593 -0.226 19614 6918 1 18 . 1 1 59 59 THR CB C 59 68.902 68.902 68.844 0.058 19614 6919 1 18 . 1 1 59 59 THR H H 59 7.393 7.393 7.575 -0.182 19614 6920 1 18 . 1 1 60 60 LEU N N 60 120.435 120.435 121.930 -1.495 19614 6921 1 18 . 1 1 60 60 LEU HA H 60 4.066 4.066 4.125 -0.059 19614 6922 1 18 . 1 1 60 60 LEU C C 60 179.994 179.994 178.944 1.050 19614 6923 1 18 . 1 1 60 60 LEU CA C 60 58.096 58.096 57.593 0.503 19614 6924 1 18 . 1 1 60 60 LEU CB C 60 43.107 43.107 40.827 2.280 19614 6925 1 18 . 1 1 60 60 LEU H H 60 8.005 8.005 8.462 -0.457 19614 6926 1 18 . 1 1 61 61 ILE N N 61 120.041 120.041 119.316 0.725 19614 6927 1 18 . 1 1 61 61 ILE HA H 61 3.934 3.934 3.500 0.434 19614 6928 1 18 . 1 1 61 61 ILE C C 61 176.957 176.957 178.082 -1.125 19614 6929 1 18 . 1 1 61 61 ILE CA C 61 60.979 60.979 63.553 -2.574 19614 6930 1 18 . 1 1 61 61 ILE CB C 61 37.229 37.229 36.471 0.758 19614 6931 1 18 . 1 1 61 61 ILE H H 61 8.847 8.847 8.590 0.257 19614 6932 1 18 . 1 1 62 62 LEU N N 62 121.236 121.236 121.153 0.083 19614 6933 1 18 . 1 1 62 62 LEU HA H 62 3.909 3.909 3.897 0.012 19614 6934 1 18 . 1 1 62 62 LEU C C 62 179.562 179.562 178.533 1.029 19614 6935 1 18 . 1 1 62 62 LEU CA C 62 58.035 58.035 57.945 0.090 19614 6936 1 18 . 1 1 62 62 LEU CB C 62 40.219 40.219 40.671 -0.452 19614 6937 1 18 . 1 1 62 62 LEU H H 62 7.944 7.944 7.856 0.088 19614 6938 1 18 . 1 1 63 63 ASP N N 63 117.983 117.983 119.611 -1.628 19614 6939 1 18 . 1 1 63 63 ASP HA H 63 4.458 4.458 4.338 0.120 19614 6940 1 18 . 1 1 63 63 ASP C C 63 178.858 178.858 177.072 1.786 19614 6941 1 18 . 1 1 63 63 ASP CA C 63 56.964 56.964 57.140 -0.176 19614 6942 1 18 . 1 1 63 63 ASP CB C 63 40.822 40.822 41.146 -0.324 19614 6943 1 18 . 1 1 63 63 ASP H H 63 7.844 7.844 8.019 -0.175 19614 6944 1 18 . 1 1 64 64 ALA N N 64 122.425 122.425 119.399 3.026 19614 6945 1 18 . 1 1 64 64 ALA HA H 64 4.086 4.086 4.208 -0.122 19614 6946 1 18 . 1 1 64 64 ALA C C 64 179.354 179.354 179.129 0.225 19614 6947 1 18 . 1 1 64 64 ALA CA C 64 54.396 54.396 54.354 0.042 19614 6948 1 18 . 1 1 64 64 ALA CB C 64 17.785 17.785 19.256 -1.471 19614 6949 1 18 . 1 1 64 64 ALA H H 64 7.869 7.869 7.867 0.002 19614 6950 1 18 . 1 1 65 65 LEU N N 65 116.489 116.489 116.088 0.401 19614 6951 1 18 . 1 1 65 65 LEU HA H 65 4.222 4.222 4.173 0.050 19614 6952 1 18 . 1 1 65 65 LEU C C 65 176.661 176.661 177.040 -0.379 19614 6953 1 18 . 1 1 65 65 LEU CA C 65 54.642 54.642 55.418 -0.776 19614 6954 1 18 . 1 1 65 65 LEU CB C 65 41.957 41.957 42.580 -0.623 19614 6955 1 18 . 1 1 65 65 LEU H H 65 7.669 7.669 7.366 0.303 19614 6956 1 18 . 1 1 66 66 LYS N N 66 118.229 118.229 115.421 2.808 19614 6957 1 18 . 1 1 66 66 LYS HA H 66 4.058 4.058 3.909 0.149 19614 6958 1 18 . 1 1 66 66 LYS C C 66 176.651 176.651 176.500 0.151 19614 6959 1 18 . 1 1 66 66 LYS CA C 66 57.100 57.100 57.514 -0.414 19614 6960 1 18 . 1 1 66 66 LYS CB C 66 30.249 30.249 29.483 0.766 19614 6961 1 18 . 1 1 66 66 LYS H H 66 7.806 7.806 8.237 -0.431 19614 6962 1 18 . 1 1 67 67 LYS N N 67 119.380 119.380 118.103 1.277 19614 6963 1 18 . 1 1 67 67 LYS HA H 67 4.278 4.278 4.067 0.211 19614 6964 1 18 . 1 1 67 67 LYS C C 67 176.163 176.163 176.924 -0.761 19614 6965 1 18 . 1 1 67 67 LYS CA C 67 55.658 55.658 58.435 -2.777 19614 6966 1 18 . 1 1 67 67 LYS CB C 67 33.462 33.462 32.869 0.593 19614 6967 1 18 . 1 1 67 67 LYS H H 67 8.249 8.249 8.101 0.148 19614 6968 1 18 . 1 1 68 68 ASP N N 68 120.812 120.812 115.562 5.250 19614 6969 1 18 . 1 1 68 68 ASP HA H 68 4.601 4.601 4.630 -0.029 19614 6970 1 18 . 1 1 68 68 ASP C C 68 177.001 177.001 175.227 1.774 19614 6971 1 18 . 1 1 68 68 ASP CA C 68 54.192 54.192 53.749 0.443 19614 6972 1 18 . 1 1 68 68 ASP CB C 68 41.383 41.383 41.908 -0.526 19614 6973 1 18 . 1 1 68 68 ASP H H 68 8.350 8.350 7.919 0.431 19614 6974 1 18 . 1 1 69 69 SER N N 69 119.061 119.061 117.554 1.507 19614 6975 1 18 . 1 1 69 69 SER HA H 69 4.199 4.199 4.499 -0.300 19614 6976 1 18 . 1 1 69 69 SER C C 69 175.643 175.643 175.966 -0.323 19614 6977 1 18 . 1 1 69 69 SER CA C 69 59.636 59.636 60.685 -1.050 19614 6978 1 18 . 1 1 69 69 SER CB C 69 63.237 63.237 63.989 -0.752 19614 6979 1 18 . 1 1 69 69 SER H H 69 8.608 8.608 8.543 0.065 19614 6980 1 18 . 1 1 70 70 SER N N 70 118.325 118.325 117.360 0.965 19614 6981 1 18 . 1 1 70 70 SER HA H 70 4.335 4.335 4.279 0.056 19614 6982 1 18 . 1 1 70 70 SER C C 70 175.275 175.275 175.613 -0.338 19614 6983 1 18 . 1 1 70 70 SER CA C 70 59.700 59.700 61.706 -2.006 19614 6984 1 18 . 1 1 70 70 SER CB C 70 63.243 63.243 63.192 0.051 19614 6985 1 18 . 1 1 70 70 SER H H 70 8.514 8.514 9.283 -0.769 19614 6986 1 18 . 1 1 71 71 ARG N N 71 121.317 121.317 118.091 3.226 19614 6987 1 18 . 1 1 71 71 ARG HA H 71 4.231 4.231 4.198 0.033 19614 6988 1 18 . 1 1 71 71 ARG C C 71 176.223 176.223 177.356 -1.133 19614 6989 1 18 . 1 1 71 71 ARG CA C 71 56.368 56.368 57.696 -1.328 19614 6990 1 18 . 1 1 71 71 ARG CB C 71 30.148 30.148 29.287 0.862 19614 6991 1 18 . 1 1 71 71 ARG H H 71 7.965 7.965 7.833 0.132 19614 6992 1 18 . 1 1 72 72 HIS N N 72 118.894 118.894 117.800 1.094 19614 6993 1 18 . 1 1 72 72 HIS HA H 72 4.663 4.663 4.579 0.084 19614 6994 1 18 . 1 1 72 72 HIS C C 72 175.122 175.122 177.379 -2.257 19614 6995 1 18 . 1 1 72 72 HIS CA C 72 55.935 55.935 58.152 -2.217 19614 6996 1 18 . 1 1 72 72 HIS CB C 72 29.974 29.974 30.409 -0.435 19614 6997 1 18 . 1 1 72 72 HIS H H 72 8.036 8.036 7.727 0.309 19614 6998 1 18 . 1 1 73 73 SER N N 73 116.302 116.302 116.402 -0.100 19614 6999 1 18 . 1 1 73 73 SER HA H 73 4.313 4.313 4.258 0.055 19614 7000 1 18 . 1 1 73 73 SER C C 73 174.559 174.559 175.130 -0.571 19614 7001 1 18 . 1 1 73 73 SER CA C 73 59.297 59.297 60.510 -1.213 19614 7002 1 18 . 1 1 73 73 SER CB C 73 63.522 63.522 62.769 0.753 19614 7003 1 18 . 1 1 73 73 SER H H 73 8.029 8.029 8.408 -0.379 19614 7004 1 18 . 1 1 74 74 LYS N N 74 122.545 122.545 119.951 2.594 19614 7005 1 18 . 1 1 74 74 LYS HA H 74 4.336 4.336 4.484 -0.148 19614 7006 1 18 . 1 1 74 74 LYS C C 74 175.929 175.929 174.944 0.985 19614 7007 1 18 . 1 1 74 74 LYS CA C 74 55.918 55.918 54.440 1.478 19614 7008 1 18 . 1 1 74 74 LYS CB C 74 32.143 32.143 32.461 -0.318 19614 7009 1 18 . 1 1 74 74 LYS H H 74 8.394 8.394 7.545 0.849 19614 7010 1 18 . 1 1 75 75 LEU N N 75 123.393 123.393 122.660 0.733 19614 7011 1 18 . 1 1 75 75 LEU HA H 75 4.402 4.402 4.323 0.079 19614 7012 1 18 . 1 1 75 75 LEU C C 75 176.575 176.575 176.634 -0.059 19614 7013 1 18 . 1 1 75 75 LEU CA C 75 54.697 54.697 54.435 0.262 19614 7014 1 18 . 1 1 75 75 LEU CB C 75 43.481 43.481 42.206 1.275 19614 7015 1 18 . 1 1 75 75 LEU H H 75 7.943 7.943 7.452 0.491 19614 7016 1 18 . 1 1 76 76 GLU N N 76 123.357 123.357 125.607 -2.250 19614 7017 1 18 . 1 1 76 76 GLU HA H 76 4.551 4.551 4.419 0.132 19614 7018 1 18 . 1 1 76 76 GLU C C 76 177.445 177.445 177.306 0.139 19614 7019 1 18 . 1 1 76 76 GLU CA C 76 54.962 54.962 55.675 -0.713 19614 7020 1 18 . 1 1 76 76 GLU CB C 76 31.245 31.245 30.574 0.671 19614 7021 1 18 . 1 1 76 76 GLU H H 76 9.136 9.136 8.217 0.919 19614 7022 1 18 . 1 1 77 77 LYS N N 77 122.655 122.655 125.787 -3.132 19614 7023 1 18 . 1 1 77 77 LYS HA H 77 3.830 3.830 3.865 -0.035 19614 7024 1 18 . 1 1 77 77 LYS C C 77 177.908 177.908 178.276 -0.368 19614 7025 1 18 . 1 1 77 77 LYS CA C 77 61.105 61.105 60.349 0.756 19614 7026 1 18 . 1 1 77 77 LYS CB C 77 32.423 32.423 32.365 0.058 19614 7027 1 18 . 1 1 77 77 LYS H H 77 8.858 8.858 8.922 -0.064 19614 7028 1 18 . 1 1 78 78 ALA N N 78 118.008 118.008 119.132 -1.124 19614 7029 1 18 . 1 1 78 78 ALA HA H 78 3.892 3.892 4.136 -0.244 19614 7030 1 18 . 1 1 78 78 ALA C C 78 179.758 179.758 179.846 -0.088 19614 7031 1 18 . 1 1 78 78 ALA CA C 78 55.456 55.456 54.931 0.525 19614 7032 1 18 . 1 1 78 78 ALA CB C 78 17.839 17.839 17.905 -0.066 19614 7033 1 18 . 1 1 78 78 ALA H H 78 9.131 9.131 8.558 0.573 19614 7034 1 18 . 1 1 79 79 ASP N N 79 114.744 114.744 119.821 -5.077 19614 7035 1 18 . 1 1 79 79 ASP HA H 79 4.346 4.346 4.521 -0.175 19614 7036 1 18 . 1 1 79 79 ASP C C 79 178.104 178.104 178.591 -0.487 19614 7037 1 18 . 1 1 79 79 ASP CA C 79 57.088 57.088 57.031 0.057 19614 7038 1 18 . 1 1 79 79 ASP CB C 79 41.728 41.728 40.942 0.786 19614 7039 1 18 . 1 1 79 79 ASP H H 79 7.052 7.052 7.812 -0.760 19614 7040 1 18 . 1 1 80 80 ILE N N 80 119.398 119.398 121.239 -1.841 19614 7041 1 18 . 1 1 80 80 ILE HA H 80 3.592 3.592 3.615 -0.023 19614 7042 1 18 . 1 1 80 80 ILE C C 80 179.567 179.567 178.233 1.334 19614 7043 1 18 . 1 1 80 80 ILE CA C 80 64.201 64.201 65.513 -1.312 19614 7044 1 18 . 1 1 80 80 ILE CB C 80 37.514 37.514 37.895 -0.381 19614 7045 1 18 . 1 1 80 80 ILE H H 80 7.983 7.983 8.454 -0.471 19614 7046 1 18 . 1 1 81 81 LEU N N 81 120.930 120.930 119.244 1.686 19614 7047 1 18 . 1 1 81 81 LEU HA H 81 3.931 3.931 3.903 0.028 19614 7048 1 18 . 1 1 81 81 LEU C C 81 178.312 178.312 179.064 -0.752 19614 7049 1 18 . 1 1 81 81 LEU CA C 81 58.588 58.588 58.097 0.491 19614 7050 1 18 . 1 1 81 81 LEU CB C 81 41.727 41.727 41.255 0.472 19614 7051 1 18 . 1 1 81 81 LEU H H 81 8.171 8.171 8.392 -0.221 19614 7052 1 18 . 1 1 82 82 GLU N N 82 119.314 119.314 119.735 -0.421 19614 7053 1 18 . 1 1 82 82 GLU HA H 82 3.917 3.917 3.927 -0.010 19614 7054 1 18 . 1 1 82 82 GLU C C 82 180.151 180.151 178.895 1.256 19614 7055 1 18 . 1 1 82 82 GLU CA C 82 59.864 59.864 59.390 0.474 19614 7056 1 18 . 1 1 82 82 GLU CB C 82 29.364 29.364 29.619 -0.255 19614 7057 1 18 . 1 1 82 82 GLU H H 82 7.984 7.984 7.674 0.310 19614 7058 1 18 . 1 1 83 83 MET N N 83 118.669 118.669 119.053 -0.384 19614 7059 1 18 . 1 1 83 83 MET HA H 83 4.033 4.033 4.243 -0.210 19614 7060 1 18 . 1 1 83 83 MET C C 83 178.488 178.488 178.376 0.112 19614 7061 1 18 . 1 1 83 83 MET CA C 83 59.083 59.083 58.196 0.887 19614 7062 1 18 . 1 1 83 83 MET CB C 83 33.883 33.883 32.593 1.290 19614 7063 1 18 . 1 1 83 83 MET H H 83 8.639 8.639 8.300 0.339 19614 7064 1 18 . 1 1 84 84 THR N N 84 118.733 118.733 117.222 1.511 19614 7065 1 18 . 1 1 84 84 THR HA H 84 3.853 3.853 4.104 -0.251 19614 7066 1 18 . 1 1 84 84 THR C C 84 175.659 175.659 176.522 -0.863 19614 7067 1 18 . 1 1 84 84 THR CA C 84 68.029 68.029 66.942 1.087 19614 7068 1 18 . 1 1 84 84 THR CB C 84 67.595 67.595 68.859 -1.264 19614 7069 1 18 . 1 1 84 84 THR H H 84 7.946 7.946 7.615 0.331 19614 7070 1 18 . 1 1 85 85 VAL N N 85 122.083 122.083 122.325 -0.242 19614 7071 1 18 . 1 1 85 85 VAL HA H 85 3.311 3.311 3.596 -0.285 19614 7072 1 18 . 1 1 85 85 VAL C C 85 177.078 177.078 177.547 -0.469 19614 7073 1 18 . 1 1 85 85 VAL CA C 85 67.381 67.381 66.717 0.664 19614 7074 1 18 . 1 1 85 85 VAL CB C 85 32.168 32.168 31.467 0.701 19614 7075 1 18 . 1 1 85 85 VAL H H 85 8.089 8.089 7.637 0.452 19614 7076 1 18 . 1 1 86 86 LYS N N 86 117.409 117.409 118.548 -1.139 19614 7077 1 18 . 1 1 86 86 LYS HA H 86 3.835 3.835 3.927 -0.092 19614 7078 1 18 . 1 1 86 86 LYS C C 86 178.617 178.617 178.553 0.064 19614 7079 1 18 . 1 1 86 86 LYS CA C 86 60.014 60.014 59.818 0.196 19614 7080 1 18 . 1 1 86 86 LYS CB C 86 32.336 32.336 32.073 0.263 19614 7081 1 18 . 1 1 86 86 LYS H H 86 7.785 7.785 8.492 -0.707 19614 7082 1 18 . 1 1 87 87 HIS N N 87 118.731 118.731 119.747 -1.016 19614 7083 1 18 . 1 1 87 87 HIS HA H 87 4.513 4.513 4.310 0.203 19614 7084 1 18 . 1 1 87 87 HIS C C 87 177.356 177.356 177.347 0.009 19614 7085 1 18 . 1 1 87 87 HIS CA C 87 59.368 59.368 59.055 0.313 19614 7086 1 18 . 1 1 87 87 HIS CB C 87 32.047 32.047 30.499 1.548 19614 7087 1 18 . 1 1 87 87 HIS H H 87 8.055 8.055 7.986 0.069 19614 7088 1 18 . 1 1 88 88 LEU N N 88 117.189 117.189 120.717 -3.528 19614 7089 1 18 . 1 1 88 88 LEU C C 88 180.158 180.158 178.650 1.508 19614 7090 1 18 . 1 1 88 88 LEU CA C 88 57.927 57.927 57.829 0.098 19614 7091 1 18 . 1 1 88 88 LEU CB C 88 41.748 41.748 41.534 0.214 19614 7092 1 18 . 1 1 88 88 LEU H H 88 8.450 8.450 7.790 0.660 19614 7093 1 18 . 1 1 89 89 ARG N N 89 119.542 119.542 119.019 0.523 19614 7094 1 18 . 1 1 89 89 ARG HA H 89 3.901 3.901 3.961 -0.060 19614 7095 1 18 . 1 1 89 89 ARG C C 89 178.875 178.875 178.949 -0.074 19614 7096 1 18 . 1 1 89 89 ARG CA C 89 59.667 59.667 58.181 1.486 19614 7097 1 18 . 1 1 89 89 ARG CB C 89 29.542 29.542 28.802 0.740 19614 7098 1 18 . 1 1 89 89 ARG H H 89 8.616 8.616 7.859 0.757 19614 7099 1 18 . 1 1 90 90 ASN N N 90 118.676 118.676 118.767 -0.091 19614 7100 1 18 . 1 1 90 90 ASN HA H 90 4.478 4.478 4.486 -0.008 19614 7101 1 18 . 1 1 90 90 ASN C C 90 177.824 177.824 177.767 0.057 19614 7102 1 18 . 1 1 90 90 ASN CA C 90 55.393 55.393 55.829 -0.436 19614 7103 1 18 . 1 1 90 90 ASN CB C 90 37.874 37.874 38.073 -0.199 19614 7104 1 18 . 1 1 90 90 ASN H H 90 7.935 7.935 8.057 -0.122 19614 7105 1 18 . 1 1 91 91 LEU N N 91 119.885 119.885 120.163 -0.278 19614 7106 1 18 . 1 1 91 91 LEU HA H 91 4.045 4.045 4.025 0.020 19614 7107 1 18 . 1 1 91 91 LEU C C 91 178.707 178.707 179.551 -0.844 19614 7108 1 18 . 1 1 91 91 LEU CA C 91 56.705 56.705 57.705 -1.000 19614 7109 1 18 . 1 1 91 91 LEU CB C 91 41.918 41.918 41.742 0.175 19614 7110 1 18 . 1 1 91 91 LEU H H 91 7.890 7.890 8.035 -0.145 19614 7111 1 18 . 1 1 92 92 GLN N N 92 118.288 118.288 118.265 0.023 19614 7112 1 18 . 1 1 92 92 GLN HA H 92 4.149 4.149 4.071 0.078 19614 7113 1 18 . 1 1 92 92 GLN C C 92 176.562 176.562 178.481 -1.919 19614 7114 1 18 . 1 1 92 92 GLN CA C 92 57.055 57.055 58.597 -1.542 19614 7115 1 18 . 1 1 92 92 GLN CB C 92 28.937 28.937 28.487 0.450 19614 7116 1 18 . 1 1 92 92 GLN H H 92 7.683 7.683 8.273 -0.590 19614 7117 1 18 . 1 1 93 93 ARG N N 93 119.664 119.664 116.497 3.167 19614 7118 1 18 . 1 1 93 93 ARG HA H 93 4.238 4.238 4.424 -0.186 19614 7119 1 18 . 1 1 93 93 ARG C C 93 175.928 175.928 176.865 -0.937 19614 7120 1 18 . 1 1 93 93 ARG CA C 93 56.467 56.467 56.611 -0.144 19614 7121 1 18 . 1 1 93 93 ARG CB C 93 30.459 30.459 29.448 1.011 19614 7122 1 18 . 1 1 93 93 ARG H H 93 7.786 7.786 8.119 -0.333 19614 7123 1 18 . 1 1 94 94 ALA N N 94 124.562 124.562 121.685 2.877 19614 7124 1 18 . 1 1 94 94 ALA HA H 94 4.308 4.308 4.309 -0.001 19614 7125 1 18 . 1 1 94 94 ALA C C 94 176.753 176.753 177.131 -0.378 19614 7126 1 18 . 1 1 94 94 ALA CA C 94 52.465 52.465 52.959 -0.494 19614 7127 1 18 . 1 1 94 94 ALA CB C 94 19.023 19.023 19.200 -0.177 19614 7128 1 18 . 1 1 94 94 ALA H H 94 8.017 8.017 7.637 0.380 19614 7129 1 19 . 1 1 27 27 LYS HA H 27 4.626 4.626 4.212 0.414 19614 7130 1 19 . 1 1 27 27 LYS CA C 27 54.410 54.410 59.283 -4.873 19614 7131 1 19 . 1 1 27 27 LYS CB C 27 32.346 32.346 30.559 1.787 19614 7132 1 19 . 1 1 28 28 PRO HA H 28 4.402 4.402 4.248 0.154 19614 7133 1 19 . 1 1 28 28 PRO C C 28 176.815 176.815 177.382 -0.567 19614 7134 1 19 . 1 1 28 28 PRO CA C 28 62.876 62.876 64.298 -1.422 19614 7135 1 19 . 1 1 28 28 PRO CB C 28 32.162 32.162 31.745 0.417 19614 7136 1 19 . 1 1 29 29 LYS N N 29 122.449 122.449 119.835 2.614 19614 7137 1 19 . 1 1 29 29 LYS HA H 29 4.297 4.297 4.335 -0.038 19614 7138 1 19 . 1 1 29 29 LYS C C 29 176.961 176.961 175.579 1.382 19614 7139 1 19 . 1 1 29 29 LYS CA C 29 56.463 56.463 56.004 0.459 19614 7140 1 19 . 1 1 29 29 LYS CB C 29 32.816 32.816 31.905 0.911 19614 7141 1 19 . 1 1 29 29 LYS H H 29 8.586 8.586 7.986 0.600 19614 7142 1 19 . 1 1 30 30 THR N N 30 115.695 115.695 123.365 -7.670 19614 7143 1 19 . 1 1 30 30 THR HA H 30 4.293 4.293 4.227 0.066 19614 7144 1 19 . 1 1 30 30 THR C C 30 174.354 174.354 173.784 0.570 19614 7145 1 19 . 1 1 30 30 THR CA C 30 61.555 61.555 63.416 -1.861 19614 7146 1 19 . 1 1 30 30 THR CB C 30 69.949 69.949 68.041 1.908 19614 7147 1 19 . 1 1 30 30 THR H H 30 8.219 8.219 8.187 0.032 19614 7148 1 19 . 1 1 31 31 ALA N N 31 125.923 125.923 130.321 -4.398 19614 7149 1 19 . 1 1 31 31 ALA HA H 31 4.312 4.312 4.483 -0.171 19614 7150 1 19 . 1 1 31 31 ALA C C 31 178.014 178.014 176.863 1.151 19614 7151 1 19 . 1 1 31 31 ALA CA C 31 52.781 52.781 51.498 1.283 19614 7152 1 19 . 1 1 31 31 ALA CB C 31 19.125 19.125 18.790 0.335 19614 7153 1 19 . 1 1 31 31 ALA H H 31 8.505 8.505 8.000 0.505 19614 7154 1 19 . 1 1 32 32 SER N N 32 115.249 115.249 120.348 -5.099 19614 7155 1 19 . 1 1 32 32 SER HA H 32 4.338 4.338 4.589 -0.251 19614 7156 1 19 . 1 1 32 32 SER C C 32 174.783 174.783 174.745 0.038 19614 7157 1 19 . 1 1 32 32 SER CA C 32 58.633 58.633 58.207 0.426 19614 7158 1 19 . 1 1 32 32 SER CB C 32 63.475 63.475 63.842 -0.367 19614 7159 1 19 . 1 1 32 32 SER H H 32 8.365 8.365 8.201 0.164 19614 7160 1 19 . 1 1 33 33 GLU N N 33 122.748 122.748 125.454 -2.706 19614 7161 1 19 . 1 1 33 33 GLU HA H 33 4.205 4.205 4.096 0.109 19614 7162 1 19 . 1 1 33 33 GLU C C 33 176.411 176.411 176.111 0.300 19614 7163 1 19 . 1 1 33 33 GLU CA C 33 56.678 56.678 57.925 -1.247 19614 7164 1 19 . 1 1 33 33 GLU CB C 33 30.241 30.241 30.223 0.018 19614 7165 1 19 . 1 1 33 33 GLU H H 33 8.390 8.390 8.897 -0.507 19614 7166 1 19 . 1 1 34 34 HIS N N 34 120.453 120.453 116.463 3.990 19614 7167 1 19 . 1 1 34 34 HIS HA H 34 4.605 4.605 4.846 -0.241 19614 7168 1 19 . 1 1 34 34 HIS C C 34 175.167 175.167 176.208 -1.041 19614 7169 1 19 . 1 1 34 34 HIS CA C 34 56.035 56.035 54.747 1.288 19614 7170 1 19 . 1 1 34 34 HIS CB C 34 29.938 29.938 31.919 -1.981 19614 7171 1 19 . 1 1 34 34 HIS H H 34 8.431 8.431 8.221 0.210 19614 7172 1 19 . 1 1 35 35 ARG N N 35 122.797 122.797 124.606 -1.809 19614 7173 1 19 . 1 1 35 35 ARG HA H 35 4.261 4.261 4.017 0.244 19614 7174 1 19 . 1 1 35 35 ARG C C 35 176.411 176.411 177.414 -1.003 19614 7175 1 19 . 1 1 35 35 ARG CA C 35 56.306 56.306 59.640 -3.334 19614 7176 1 19 . 1 1 35 35 ARG CB C 35 30.587 30.587 30.236 0.351 19614 7177 1 19 . 1 1 35 35 ARG H H 35 8.419 8.419 8.909 -0.490 19614 7178 1 19 . 1 1 36 36 LYS N N 36 122.974 122.974 118.841 4.133 19614 7179 1 19 . 1 1 36 36 LYS HA H 36 4.288 4.288 4.373 -0.085 19614 7180 1 19 . 1 1 36 36 LYS C C 36 176.738 176.738 174.977 1.761 19614 7181 1 19 . 1 1 36 36 LYS CA C 36 56.514 56.514 55.439 1.075 19614 7182 1 19 . 1 1 36 36 LYS CB C 36 32.857 32.857 29.888 2.969 19614 7183 1 19 . 1 1 36 36 LYS H H 36 8.482 8.482 8.392 0.090 19614 7184 1 19 . 1 1 37 37 SER N N 37 117.137 117.137 118.187 -1.050 19614 7185 1 19 . 1 1 37 37 SER HA H 37 4.469 4.469 4.734 -0.265 19614 7186 1 19 . 1 1 37 37 SER C C 37 174.495 174.495 173.235 1.260 19614 7187 1 19 . 1 1 37 37 SER CA C 37 58.115 58.115 58.119 -0.004 19614 7188 1 19 . 1 1 37 37 SER CB C 37 63.627 63.627 64.429 -0.802 19614 7189 1 19 . 1 1 37 37 SER H H 37 8.410 8.410 8.273 0.137 19614 7190 1 19 . 1 1 38 38 SER N N 38 118.622 118.622 116.995 1.627 19614 7191 1 19 . 1 1 38 38 SER HA H 38 4.467 4.467 4.656 -0.189 19614 7192 1 19 . 1 1 38 38 SER C C 38 174.332 174.332 173.545 0.787 19614 7193 1 19 . 1 1 38 38 SER CA C 38 58.187 58.187 57.853 0.334 19614 7194 1 19 . 1 1 38 38 SER CB C 38 63.703 63.703 64.806 -1.103 19614 7195 1 19 . 1 1 38 38 SER H H 38 8.456 8.456 8.428 0.028 19614 7196 1 19 . 1 1 39 39 LYS N N 39 124.176 124.176 123.846 0.330 19614 7197 1 19 . 1 1 39 39 LYS HA H 39 4.478 4.478 4.855 -0.377 19614 7198 1 19 . 1 1 39 39 LYS C C 39 174.904 174.904 175.290 -0.386 19614 7199 1 19 . 1 1 39 39 LYS CA C 39 56.707 56.707 52.984 3.723 19614 7200 1 19 . 1 1 39 39 LYS CB C 39 31.595 31.595 33.214 -1.619 19614 7201 1 19 . 1 1 39 39 LYS H H 39 8.489 8.489 7.960 0.529 19614 7202 1 19 . 1 1 40 40 PRO HA H 40 4.401 4.401 4.299 0.102 19614 7203 1 19 . 1 1 40 40 PRO C C 40 178.173 178.173 178.781 -0.608 19614 7204 1 19 . 1 1 40 40 PRO CA C 40 64.315 64.315 65.253 -0.938 19614 7205 1 19 . 1 1 40 40 PRO CB C 40 31.675 31.675 32.024 -0.349 19614 7206 1 19 . 1 1 41 41 ILE N N 41 120.414 120.414 117.645 2.769 19614 7207 1 19 . 1 1 41 41 ILE HA H 41 3.967 3.967 3.864 0.103 19614 7208 1 19 . 1 1 41 41 ILE C C 41 177.393 177.393 177.450 -0.057 19614 7209 1 19 . 1 1 41 41 ILE CA C 41 62.575 62.575 64.540 -1.965 19614 7210 1 19 . 1 1 41 41 ILE CB C 41 37.900 37.900 37.855 0.045 19614 7211 1 19 . 1 1 41 41 ILE H H 41 8.011 8.011 7.954 0.057 19614 7212 1 19 . 1 1 42 42 MET N N 42 122.411 122.411 117.676 4.735 19614 7213 1 19 . 1 1 42 42 MET HA H 42 4.330 4.330 4.178 0.152 19614 7214 1 19 . 1 1 42 42 MET C C 42 178.050 178.050 178.717 -0.667 19614 7215 1 19 . 1 1 42 42 MET CA C 42 56.959 56.959 58.045 -1.086 19614 7216 1 19 . 1 1 42 42 MET CB C 42 32.024 32.024 31.379 0.645 19614 7217 1 19 . 1 1 42 42 MET H H 42 8.335 8.335 7.524 0.811 19614 7218 1 19 . 1 1 43 43 GLU N N 43 121.832 121.832 117.644 4.188 19614 7219 1 19 . 1 1 43 43 GLU HA H 43 4.193 4.193 4.106 0.087 19614 7220 1 19 . 1 1 43 43 GLU C C 43 177.835 177.835 178.469 -0.634 19614 7221 1 19 . 1 1 43 43 GLU CA C 43 58.157 58.157 59.274 -1.117 19614 7222 1 19 . 1 1 43 43 GLU CB C 43 29.543 29.543 29.103 0.440 19614 7223 1 19 . 1 1 43 43 GLU H H 43 8.397 8.397 8.357 0.040 19614 7224 1 19 . 1 1 44 44 LYS N N 44 121.347 121.347 120.562 0.785 19614 7225 1 19 . 1 1 44 44 LYS HA H 44 4.083 4.083 4.150 -0.067 19614 7226 1 19 . 1 1 44 44 LYS C C 44 178.745 178.745 178.910 -0.165 19614 7227 1 19 . 1 1 44 44 LYS CA C 44 58.846 58.846 58.452 0.394 19614 7228 1 19 . 1 1 44 44 LYS CB C 44 32.493 32.493 31.768 0.725 19614 7229 1 19 . 1 1 44 44 LYS H H 44 8.124 8.124 7.923 0.201 19614 7230 1 19 . 1 1 45 45 ARG N N 45 120.603 120.603 120.380 0.223 19614 7231 1 19 . 1 1 45 45 ARG HA H 45 4.247 4.247 3.953 0.294 19614 7232 1 19 . 1 1 45 45 ARG C C 45 178.025 178.025 178.637 -0.612 19614 7233 1 19 . 1 1 45 45 ARG CA C 45 58.201 58.201 59.898 -1.697 19614 7234 1 19 . 1 1 45 45 ARG CB C 45 29.888 29.888 30.018 -0.130 19614 7235 1 19 . 1 1 45 45 ARG H H 45 8.219 8.219 8.295 -0.076 19614 7236 1 19 . 1 1 46 46 ARG N N 46 121.714 121.714 119.297 2.417 19614 7237 1 19 . 1 1 46 46 ARG HA H 46 3.908 3.908 3.974 -0.066 19614 7238 1 19 . 1 1 46 46 ARG C C 46 177.855 177.855 178.217 -0.362 19614 7239 1 19 . 1 1 46 46 ARG CA C 46 59.726 59.726 59.410 0.316 19614 7240 1 19 . 1 1 46 46 ARG CB C 46 30.215 30.215 30.100 0.115 19614 7241 1 19 . 1 1 46 46 ARG H H 46 8.245 8.245 8.004 0.241 19614 7242 1 19 . 1 1 47 47 ARG N N 47 118.469 118.469 119.481 -1.012 19614 7243 1 19 . 1 1 47 47 ARG HA H 47 3.961 3.961 3.983 -0.022 19614 7244 1 19 . 1 1 47 47 ARG C C 47 177.899 177.899 178.343 -0.444 19614 7245 1 19 . 1 1 47 47 ARG CA C 47 58.541 58.541 59.395 -0.854 19614 7246 1 19 . 1 1 47 47 ARG CB C 47 29.704 29.704 30.114 -0.410 19614 7247 1 19 . 1 1 47 47 ARG H H 47 8.233 8.233 8.183 0.050 19614 7248 1 19 . 1 1 48 48 ALA N N 48 121.720 121.720 121.092 0.628 19614 7249 1 19 . 1 1 48 48 ALA HA H 48 4.205 4.205 4.051 0.154 19614 7250 1 19 . 1 1 48 48 ALA C C 48 180.284 180.284 179.699 0.585 19614 7251 1 19 . 1 1 48 48 ALA CA C 48 54.815 54.815 55.122 -0.307 19614 7252 1 19 . 1 1 48 48 ALA CB C 48 18.025 18.025 18.138 -0.113 19614 7253 1 19 . 1 1 48 48 ALA H H 48 7.962 7.962 8.327 -0.365 19614 7254 1 19 . 1 1 49 49 ARG N N 49 119.603 119.603 119.756 -0.153 19614 7255 1 19 . 1 1 49 49 ARG C C 49 179.589 179.589 178.784 0.805 19614 7256 1 19 . 1 1 49 49 ARG CA C 49 59.291 59.291 57.924 1.367 19614 7257 1 19 . 1 1 49 49 ARG CB C 49 30.993 30.993 29.672 1.321 19614 7258 1 19 . 1 1 49 49 ARG H H 49 8.103 8.103 7.966 0.137 19614 7259 1 19 . 1 1 50 50 ILE N N 50 121.545 121.545 120.911 0.634 19614 7260 1 19 . 1 1 50 50 ILE HA H 50 3.662 3.662 3.506 0.156 19614 7261 1 19 . 1 1 50 50 ILE C C 50 177.372 177.372 177.775 -0.403 19614 7262 1 19 . 1 1 50 50 ILE CA C 50 65.302 65.302 65.862 -0.560 19614 7263 1 19 . 1 1 50 50 ILE CB C 50 38.216 38.216 37.444 0.771 19614 7264 1 19 . 1 1 50 50 ILE H H 50 8.145 8.145 8.573 -0.428 19614 7265 1 19 . 1 1 51 51 ASN N N 51 117.894 117.894 118.103 -0.209 19614 7266 1 19 . 1 1 51 51 ASN HA H 51 4.407 4.407 4.383 0.024 19614 7267 1 19 . 1 1 51 51 ASN C C 51 178.725 178.725 178.254 0.471 19614 7268 1 19 . 1 1 51 51 ASN CA C 51 56.205 56.205 56.792 -0.587 19614 7269 1 19 . 1 1 51 51 ASN CB C 51 37.594 37.594 38.200 -0.606 19614 7270 1 19 . 1 1 51 51 ASN H H 51 8.431 8.431 8.111 0.320 19614 7271 1 19 . 1 1 52 52 GLU N N 52 121.612 121.612 120.832 0.780 19614 7272 1 19 . 1 1 52 52 GLU HA H 52 4.205 4.205 4.069 0.136 19614 7273 1 19 . 1 1 52 52 GLU C C 52 179.243 179.243 179.304 -0.061 19614 7274 1 19 . 1 1 52 52 GLU CA C 52 59.291 59.291 59.580 -0.289 19614 7275 1 19 . 1 1 52 52 GLU CB C 52 29.101 29.101 29.584 -0.483 19614 7276 1 19 . 1 1 52 52 GLU H H 52 8.299 8.299 8.579 -0.280 19614 7277 1 19 . 1 1 53 53 SER N N 53 116.604 116.604 116.052 0.552 19614 7278 1 19 . 1 1 53 53 SER C C 53 176.283 176.283 176.494 -0.211 19614 7279 1 19 . 1 1 53 53 SER CA C 53 63.032 63.032 62.021 1.011 19614 7280 1 19 . 1 1 53 53 SER H H 53 8.254 8.254 7.997 0.257 19614 7281 1 19 . 1 1 54 54 LEU N N 54 121.925 121.925 122.362 -0.437 19614 7282 1 19 . 1 1 54 54 LEU HA H 54 3.962 3.962 4.069 -0.107 19614 7283 1 19 . 1 1 54 54 LEU C C 54 178.897 178.897 177.934 0.963 19614 7284 1 19 . 1 1 54 54 LEU CA C 54 58.116 58.116 57.865 0.251 19614 7285 1 19 . 1 1 54 54 LEU CB C 54 41.576 41.576 42.001 -0.425 19614 7286 1 19 . 1 1 54 54 LEU H H 54 8.693 8.693 8.345 0.348 19614 7287 1 19 . 1 1 55 55 SER N N 55 114.515 114.515 114.743 -0.228 19614 7288 1 19 . 1 1 55 55 SER HA H 55 4.181 4.181 4.115 0.066 19614 7289 1 19 . 1 1 55 55 SER C C 55 177.381 177.381 176.950 0.431 19614 7290 1 19 . 1 1 55 55 SER CA C 55 61.568 61.568 61.867 -0.298 19614 7291 1 19 . 1 1 55 55 SER CB C 55 62.527 62.527 63.084 -0.557 19614 7292 1 19 . 1 1 55 55 SER H H 55 7.823 7.823 8.276 -0.453 19614 7293 1 19 . 1 1 56 56 GLN N N 56 120.605 120.605 121.887 -1.282 19614 7294 1 19 . 1 1 56 56 GLN HA H 56 4.087 4.087 4.171 -0.084 19614 7295 1 19 . 1 1 56 56 GLN C C 56 178.904 178.904 178.150 0.754 19614 7296 1 19 . 1 1 56 56 GLN CA C 56 58.679 58.679 58.116 0.563 19614 7297 1 19 . 1 1 56 56 GLN CB C 56 28.669 28.669 28.124 0.545 19614 7298 1 19 . 1 1 56 56 GLN H H 56 7.886 7.886 7.770 0.116 19614 7299 1 19 . 1 1 57 57 LEU N N 57 120.488 120.488 122.763 -2.275 19614 7300 1 19 . 1 1 57 57 LEU HA H 57 3.953 3.953 3.903 0.050 19614 7301 1 19 . 1 1 57 57 LEU C C 57 177.406 177.406 178.247 -0.841 19614 7302 1 19 . 1 1 57 57 LEU CA C 57 57.957 57.957 58.342 -0.385 19614 7303 1 19 . 1 1 57 57 LEU CB C 57 41.486 41.486 42.010 -0.524 19614 7304 1 19 . 1 1 57 57 LEU H H 57 8.845 8.845 8.175 0.670 19614 7305 1 19 . 1 1 58 58 LYS N N 58 118.053 118.053 116.244 1.809 19614 7306 1 19 . 1 1 58 58 LYS C C 58 176.891 176.891 179.119 -2.228 19614 7307 1 19 . 1 1 58 58 LYS CA C 58 60.535 60.535 59.372 1.163 19614 7308 1 19 . 1 1 58 58 LYS CB C 58 31.903 31.903 31.778 0.125 19614 7309 1 19 . 1 1 58 58 LYS H H 58 8.145 8.145 7.848 0.297 19614 7310 1 19 . 1 1 59 59 THR N N 59 112.948 112.948 117.827 -4.879 19614 7311 1 19 . 1 1 59 59 THR HA H 59 3.812 3.812 4.152 -0.340 19614 7312 1 19 . 1 1 59 59 THR C C 59 176.273 176.273 176.649 -0.376 19614 7313 1 19 . 1 1 59 59 THR CA C 59 66.367 66.367 66.664 -0.297 19614 7314 1 19 . 1 1 59 59 THR CB C 59 68.902 68.902 68.754 0.148 19614 7315 1 19 . 1 1 59 59 THR H H 59 7.393 7.393 7.624 -0.231 19614 7316 1 19 . 1 1 60 60 LEU N N 60 120.435 120.435 121.774 -1.339 19614 7317 1 19 . 1 1 60 60 LEU HA H 60 4.066 4.066 4.129 -0.063 19614 7318 1 19 . 1 1 60 60 LEU C C 60 179.994 179.994 178.819 1.175 19614 7319 1 19 . 1 1 60 60 LEU CA C 60 58.096 58.096 57.828 0.268 19614 7320 1 19 . 1 1 60 60 LEU CB C 60 43.107 43.107 40.895 2.212 19614 7321 1 19 . 1 1 60 60 LEU H H 60 8.005 8.005 8.509 -0.504 19614 7322 1 19 . 1 1 61 61 ILE N N 61 120.041 120.041 119.902 0.139 19614 7323 1 19 . 1 1 61 61 ILE HA H 61 3.934 3.934 3.698 0.236 19614 7324 1 19 . 1 1 61 61 ILE C C 61 176.957 176.957 178.465 -1.508 19614 7325 1 19 . 1 1 61 61 ILE CA C 61 60.979 60.979 64.529 -3.550 19614 7326 1 19 . 1 1 61 61 ILE CB C 61 37.229 37.229 36.618 0.611 19614 7327 1 19 . 1 1 61 61 ILE H H 61 8.847 8.847 8.327 0.520 19614 7328 1 19 . 1 1 62 62 LEU N N 62 121.236 121.236 120.338 0.898 19614 7329 1 19 . 1 1 62 62 LEU HA H 62 3.909 3.909 4.012 -0.103 19614 7330 1 19 . 1 1 62 62 LEU C C 62 179.562 179.562 178.108 1.454 19614 7331 1 19 . 1 1 62 62 LEU CA C 62 58.035 58.035 57.758 0.277 19614 7332 1 19 . 1 1 62 62 LEU CB C 62 40.219 40.219 41.952 -1.733 19614 7333 1 19 . 1 1 62 62 LEU H H 62 7.944 7.944 7.805 0.139 19614 7334 1 19 . 1 1 63 63 ASP N N 63 117.983 117.983 119.310 -1.327 19614 7335 1 19 . 1 1 63 63 ASP HA H 63 4.458 4.458 4.448 0.010 19614 7336 1 19 . 1 1 63 63 ASP C C 63 178.858 178.858 177.140 1.718 19614 7337 1 19 . 1 1 63 63 ASP CA C 63 56.964 56.964 56.812 0.152 19614 7338 1 19 . 1 1 63 63 ASP CB C 63 40.822 40.822 41.168 -0.346 19614 7339 1 19 . 1 1 63 63 ASP H H 63 7.844 7.844 7.860 -0.016 19614 7340 1 19 . 1 1 64 64 ALA N N 64 122.425 122.425 119.774 2.651 19614 7341 1 19 . 1 1 64 64 ALA HA H 64 4.086 4.086 4.266 -0.180 19614 7342 1 19 . 1 1 64 64 ALA C C 64 179.354 179.354 179.286 0.068 19614 7343 1 19 . 1 1 64 64 ALA CA C 64 54.396 54.396 54.412 -0.016 19614 7344 1 19 . 1 1 64 64 ALA CB C 64 17.785 17.785 19.460 -1.675 19614 7345 1 19 . 1 1 64 64 ALA H H 64 7.869 7.869 7.885 -0.016 19614 7346 1 19 . 1 1 65 65 LEU N N 65 116.489 116.489 115.269 1.220 19614 7347 1 19 . 1 1 65 65 LEU HA H 65 4.222 4.222 4.280 -0.058 19614 7348 1 19 . 1 1 65 65 LEU C C 65 176.661 176.661 176.246 0.415 19614 7349 1 19 . 1 1 65 65 LEU CA C 65 54.642 54.642 55.090 -0.448 19614 7350 1 19 . 1 1 65 65 LEU CB C 65 41.957 41.957 42.956 -0.999 19614 7351 1 19 . 1 1 65 65 LEU H H 65 7.669 7.669 7.839 -0.170 19614 7352 1 19 . 1 1 66 66 LYS N N 66 118.229 118.229 116.169 2.060 19614 7353 1 19 . 1 1 66 66 LYS HA H 66 4.058 4.058 4.129 -0.071 19614 7354 1 19 . 1 1 66 66 LYS C C 66 176.651 176.651 176.307 0.344 19614 7355 1 19 . 1 1 66 66 LYS CA C 66 57.100 57.100 56.760 0.340 19614 7356 1 19 . 1 1 66 66 LYS CB C 66 30.249 30.249 29.940 0.309 19614 7357 1 19 . 1 1 66 66 LYS H H 66 7.806 7.806 7.308 0.498 19614 7358 1 19 . 1 1 67 67 LYS N N 67 119.380 119.380 118.579 0.801 19614 7359 1 19 . 1 1 67 67 LYS HA H 67 4.278 4.278 4.125 0.153 19614 7360 1 19 . 1 1 67 67 LYS C C 67 176.163 176.163 176.452 -0.289 19614 7361 1 19 . 1 1 67 67 LYS CA C 67 55.658 55.658 58.395 -2.737 19614 7362 1 19 . 1 1 67 67 LYS CB C 67 33.462 33.462 33.165 0.297 19614 7363 1 19 . 1 1 67 67 LYS H H 67 8.249 8.249 8.279 -0.030 19614 7364 1 19 . 1 1 68 68 ASP N N 68 120.812 120.812 113.251 7.561 19614 7365 1 19 . 1 1 68 68 ASP HA H 68 4.601 4.601 4.685 -0.084 19614 7366 1 19 . 1 1 68 68 ASP C C 68 177.001 177.001 175.181 1.820 19614 7367 1 19 . 1 1 68 68 ASP CA C 68 54.192 54.192 53.660 0.532 19614 7368 1 19 . 1 1 68 68 ASP CB C 68 41.383 41.383 42.795 -1.412 19614 7369 1 19 . 1 1 68 68 ASP H H 68 8.350 8.350 7.828 0.522 19614 7370 1 19 . 1 1 69 69 SER N N 69 119.061 119.061 118.239 0.822 19614 7371 1 19 . 1 1 69 69 SER HA H 69 4.199 4.199 4.459 -0.260 19614 7372 1 19 . 1 1 69 69 SER C C 69 175.643 175.643 175.815 -0.172 19614 7373 1 19 . 1 1 69 69 SER CA C 69 59.636 59.636 60.392 -0.756 19614 7374 1 19 . 1 1 69 69 SER CB C 69 63.237 63.237 63.782 -0.545 19614 7375 1 19 . 1 1 69 69 SER H H 69 8.608 8.608 8.654 -0.046 19614 7376 1 19 . 1 1 70 70 SER N N 70 118.325 118.325 117.994 0.331 19614 7377 1 19 . 1 1 70 70 SER HA H 70 4.335 4.335 4.387 -0.052 19614 7378 1 19 . 1 1 70 70 SER C C 70 175.275 175.275 175.634 -0.359 19614 7379 1 19 . 1 1 70 70 SER CA C 70 59.700 59.700 61.689 -1.989 19614 7380 1 19 . 1 1 70 70 SER CB C 70 63.243 63.243 63.405 -0.162 19614 7381 1 19 . 1 1 70 70 SER H H 70 8.514 8.514 9.124 -0.610 19614 7382 1 19 . 1 1 71 71 ARG N N 71 121.317 121.317 119.295 2.022 19614 7383 1 19 . 1 1 71 71 ARG HA H 71 4.231 4.231 4.208 0.023 19614 7384 1 19 . 1 1 71 71 ARG C C 71 176.223 176.223 178.279 -2.056 19614 7385 1 19 . 1 1 71 71 ARG CA C 71 56.368 56.368 58.499 -2.131 19614 7386 1 19 . 1 1 71 71 ARG CB C 71 30.148 30.148 29.205 0.943 19614 7387 1 19 . 1 1 71 71 ARG H H 71 7.965 7.965 8.459 -0.494 19614 7388 1 19 . 1 1 72 72 HIS N N 72 118.894 118.894 118.214 0.680 19614 7389 1 19 . 1 1 72 72 HIS HA H 72 4.663 4.663 4.298 0.365 19614 7390 1 19 . 1 1 72 72 HIS C C 72 175.122 175.122 175.707 -0.585 19614 7391 1 19 . 1 1 72 72 HIS CA C 72 55.935 55.935 59.216 -3.281 19614 7392 1 19 . 1 1 72 72 HIS CB C 72 29.974 29.974 30.141 -0.167 19614 7393 1 19 . 1 1 72 72 HIS H H 72 8.036 8.036 7.753 0.283 19614 7394 1 19 . 1 1 73 73 SER N N 73 116.302 116.302 111.806 4.496 19614 7395 1 19 . 1 1 73 73 SER HA H 73 4.313 4.313 4.450 -0.137 19614 7396 1 19 . 1 1 73 73 SER C C 73 174.559 174.559 175.379 -0.820 19614 7397 1 19 . 1 1 73 73 SER CA C 73 59.297 59.297 59.809 -0.512 19614 7398 1 19 . 1 1 73 73 SER CB C 73 63.522 63.522 63.481 0.041 19614 7399 1 19 . 1 1 73 73 SER H H 73 8.029 8.029 7.666 0.363 19614 7400 1 19 . 1 1 74 74 LYS N N 74 122.545 122.545 120.618 1.927 19614 7401 1 19 . 1 1 74 74 LYS HA H 74 4.336 4.336 4.292 0.044 19614 7402 1 19 . 1 1 74 74 LYS C C 74 175.929 175.929 176.629 -0.700 19614 7403 1 19 . 1 1 74 74 LYS CA C 74 55.918 55.918 55.763 0.155 19614 7404 1 19 . 1 1 74 74 LYS CB C 74 32.143 32.143 33.087 -0.944 19614 7405 1 19 . 1 1 74 74 LYS H H 74 8.394 8.394 7.134 1.260 19614 7406 1 19 . 1 1 75 75 LEU N N 75 123.393 123.393 123.522 -0.129 19614 7407 1 19 . 1 1 75 75 LEU HA H 75 4.402 4.402 4.142 0.260 19614 7408 1 19 . 1 1 75 75 LEU C C 75 176.575 176.575 176.128 0.447 19614 7409 1 19 . 1 1 75 75 LEU CA C 75 54.697 54.697 56.165 -1.468 19614 7410 1 19 . 1 1 75 75 LEU CB C 75 43.481 43.481 40.731 2.750 19614 7411 1 19 . 1 1 75 75 LEU H H 75 7.943 7.943 7.968 -0.025 19614 7412 1 19 . 1 1 76 76 GLU N N 76 123.357 123.357 125.654 -2.297 19614 7413 1 19 . 1 1 76 76 GLU HA H 76 4.551 4.551 4.362 0.189 19614 7414 1 19 . 1 1 76 76 GLU C C 76 177.445 177.445 177.031 0.414 19614 7415 1 19 . 1 1 76 76 GLU CA C 76 54.962 54.962 55.616 -0.654 19614 7416 1 19 . 1 1 76 76 GLU CB C 76 31.245 31.245 30.857 0.388 19614 7417 1 19 . 1 1 76 76 GLU H H 76 9.136 9.136 9.145 -0.009 19614 7418 1 19 . 1 1 77 77 LYS N N 77 122.655 122.655 121.861 0.794 19614 7419 1 19 . 1 1 77 77 LYS HA H 77 3.830 3.830 3.953 -0.123 19614 7420 1 19 . 1 1 77 77 LYS C C 77 177.908 177.908 178.492 -0.584 19614 7421 1 19 . 1 1 77 77 LYS CA C 77 61.105 61.105 60.176 0.929 19614 7422 1 19 . 1 1 77 77 LYS CB C 77 32.423 32.423 32.070 0.353 19614 7423 1 19 . 1 1 77 77 LYS H H 77 8.858 8.858 8.733 0.125 19614 7424 1 19 . 1 1 78 78 ALA N N 78 118.008 118.008 119.084 -1.076 19614 7425 1 19 . 1 1 78 78 ALA HA H 78 3.892 3.892 4.168 -0.276 19614 7426 1 19 . 1 1 78 78 ALA C C 78 179.758 179.758 179.721 0.037 19614 7427 1 19 . 1 1 78 78 ALA CA C 78 55.456 55.456 54.816 0.640 19614 7428 1 19 . 1 1 78 78 ALA CB C 78 17.839 17.839 17.918 -0.079 19614 7429 1 19 . 1 1 78 78 ALA H H 78 9.131 9.131 8.540 0.591 19614 7430 1 19 . 1 1 79 79 ASP N N 79 114.744 114.744 120.301 -5.557 19614 7431 1 19 . 1 1 79 79 ASP HA H 79 4.346 4.346 4.485 -0.139 19614 7432 1 19 . 1 1 79 79 ASP C C 79 178.104 178.104 178.520 -0.416 19614 7433 1 19 . 1 1 79 79 ASP CA C 79 57.088 57.088 56.816 0.272 19614 7434 1 19 . 1 1 79 79 ASP CB C 79 41.728 41.728 40.669 1.059 19614 7435 1 19 . 1 1 79 79 ASP H H 79 7.052 7.052 7.719 -0.667 19614 7436 1 19 . 1 1 80 80 ILE N N 80 119.398 119.398 121.172 -1.774 19614 7437 1 19 . 1 1 80 80 ILE HA H 80 3.592 3.592 3.571 0.021 19614 7438 1 19 . 1 1 80 80 ILE C C 80 179.567 179.567 178.129 1.438 19614 7439 1 19 . 1 1 80 80 ILE CA C 80 64.201 64.201 65.650 -1.450 19614 7440 1 19 . 1 1 80 80 ILE CB C 80 37.514 37.514 37.809 -0.295 19614 7441 1 19 . 1 1 80 80 ILE H H 80 7.983 7.983 8.290 -0.307 19614 7442 1 19 . 1 1 81 81 LEU N N 81 120.930 120.930 118.699 2.231 19614 7443 1 19 . 1 1 81 81 LEU HA H 81 3.931 3.931 3.995 -0.064 19614 7444 1 19 . 1 1 81 81 LEU C C 81 178.312 178.312 180.015 -1.703 19614 7445 1 19 . 1 1 81 81 LEU CA C 81 58.588 58.588 57.678 0.910 19614 7446 1 19 . 1 1 81 81 LEU CB C 81 41.727 41.727 41.611 0.117 19614 7447 1 19 . 1 1 81 81 LEU H H 81 8.171 8.171 8.255 -0.084 19614 7448 1 19 . 1 1 82 82 GLU N N 82 119.314 119.314 119.838 -0.524 19614 7449 1 19 . 1 1 82 82 GLU HA H 82 3.917 3.917 3.982 -0.065 19614 7450 1 19 . 1 1 82 82 GLU C C 82 180.151 180.151 178.692 1.459 19614 7451 1 19 . 1 1 82 82 GLU CA C 82 59.864 59.864 59.203 0.661 19614 7452 1 19 . 1 1 82 82 GLU CB C 82 29.364 29.364 29.567 -0.203 19614 7453 1 19 . 1 1 82 82 GLU H H 82 7.984 7.984 7.708 0.276 19614 7454 1 19 . 1 1 83 83 MET N N 83 118.669 118.669 119.421 -0.752 19614 7455 1 19 . 1 1 83 83 MET HA H 83 4.033 4.033 4.240 -0.207 19614 7456 1 19 . 1 1 83 83 MET C C 83 178.488 178.488 178.841 -0.353 19614 7457 1 19 . 1 1 83 83 MET CA C 83 59.083 59.083 59.624 -0.541 19614 7458 1 19 . 1 1 83 83 MET CB C 83 33.883 33.883 32.739 1.144 19614 7459 1 19 . 1 1 83 83 MET H H 83 8.639 8.639 8.483 0.156 19614 7460 1 19 . 1 1 84 84 THR N N 84 118.733 118.733 116.370 2.363 19614 7461 1 19 . 1 1 84 84 THR HA H 84 3.853 3.853 4.023 -0.170 19614 7462 1 19 . 1 1 84 84 THR C C 84 175.659 175.659 176.699 -1.040 19614 7463 1 19 . 1 1 84 84 THR CA C 84 68.029 68.029 66.177 1.852 19614 7464 1 19 . 1 1 84 84 THR CB C 84 67.595 67.595 68.060 -0.465 19614 7465 1 19 . 1 1 84 84 THR H H 84 7.946 7.946 7.918 0.028 19614 7466 1 19 . 1 1 85 85 VAL N N 85 122.083 122.083 122.145 -0.062 19614 7467 1 19 . 1 1 85 85 VAL HA H 85 3.311 3.311 3.661 -0.350 19614 7468 1 19 . 1 1 85 85 VAL C C 85 177.078 177.078 178.076 -0.998 19614 7469 1 19 . 1 1 85 85 VAL CA C 85 67.381 67.381 66.330 1.051 19614 7470 1 19 . 1 1 85 85 VAL CB C 85 32.168 32.168 30.783 1.385 19614 7471 1 19 . 1 1 85 85 VAL H H 85 8.089 8.089 7.647 0.442 19614 7472 1 19 . 1 1 86 86 LYS N N 86 117.409 117.409 119.149 -1.740 19614 7473 1 19 . 1 1 86 86 LYS HA H 86 3.835 3.835 3.947 -0.112 19614 7474 1 19 . 1 1 86 86 LYS C C 86 178.617 178.617 179.299 -0.682 19614 7475 1 19 . 1 1 86 86 LYS CA C 86 60.014 60.014 59.616 0.398 19614 7476 1 19 . 1 1 86 86 LYS CB C 86 32.336 32.336 32.156 0.180 19614 7477 1 19 . 1 1 86 86 LYS H H 86 7.785 7.785 8.610 -0.825 19614 7478 1 19 . 1 1 87 87 HIS N N 87 118.731 118.731 118.973 -0.242 19614 7479 1 19 . 1 1 87 87 HIS HA H 87 4.513 4.513 4.434 0.079 19614 7480 1 19 . 1 1 87 87 HIS C C 87 177.356 177.356 177.407 -0.051 19614 7481 1 19 . 1 1 87 87 HIS CA C 87 59.368 59.368 59.665 -0.297 19614 7482 1 19 . 1 1 87 87 HIS CB C 87 32.047 32.047 29.749 2.298 19614 7483 1 19 . 1 1 87 87 HIS H H 87 8.055 8.055 8.101 -0.046 19614 7484 1 19 . 1 1 88 88 LEU N N 88 117.189 117.189 121.200 -4.011 19614 7485 1 19 . 1 1 88 88 LEU C C 88 180.158 180.158 178.414 1.744 19614 7486 1 19 . 1 1 88 88 LEU CA C 88 57.927 57.927 58.214 -0.287 19614 7487 1 19 . 1 1 88 88 LEU CB C 88 41.748 41.748 41.368 0.380 19614 7488 1 19 . 1 1 88 88 LEU H H 88 8.450 8.450 8.360 0.090 19614 7489 1 19 . 1 1 89 89 ARG N N 89 119.542 119.542 118.796 0.746 19614 7490 1 19 . 1 1 89 89 ARG HA H 89 3.901 3.901 3.935 -0.034 19614 7491 1 19 . 1 1 89 89 ARG C C 89 178.875 178.875 178.800 0.075 19614 7492 1 19 . 1 1 89 89 ARG CA C 89 59.667 59.667 58.624 1.043 19614 7493 1 19 . 1 1 89 89 ARG CB C 89 29.542 29.542 28.870 0.672 19614 7494 1 19 . 1 1 89 89 ARG H H 89 8.616 8.616 7.848 0.768 19614 7495 1 19 . 1 1 90 90 ASN N N 90 118.676 118.676 118.583 0.093 19614 7496 1 19 . 1 1 90 90 ASN HA H 90 4.478 4.478 4.482 -0.004 19614 7497 1 19 . 1 1 90 90 ASN C C 90 177.824 177.824 178.498 -0.674 19614 7498 1 19 . 1 1 90 90 ASN CA C 90 55.393 55.393 55.663 -0.270 19614 7499 1 19 . 1 1 90 90 ASN CB C 90 37.874 37.874 38.058 -0.184 19614 7500 1 19 . 1 1 90 90 ASN H H 90 7.935 7.935 7.666 0.269 19614 7501 1 19 . 1 1 91 91 LEU N N 91 119.885 119.885 120.757 -0.872 19614 7502 1 19 . 1 1 91 91 LEU HA H 91 4.045 4.045 4.095 -0.050 19614 7503 1 19 . 1 1 91 91 LEU C C 91 178.707 178.707 179.481 -0.774 19614 7504 1 19 . 1 1 91 91 LEU CA C 91 56.705 56.705 57.657 -0.952 19614 7505 1 19 . 1 1 91 91 LEU CB C 91 41.918 41.918 41.813 0.105 19614 7506 1 19 . 1 1 91 91 LEU H H 91 7.890 7.890 8.601 -0.711 19614 7507 1 19 . 1 1 92 92 GLN N N 92 118.288 118.288 118.467 -0.179 19614 7508 1 19 . 1 1 92 92 GLN HA H 92 4.149 4.149 4.190 -0.041 19614 7509 1 19 . 1 1 92 92 GLN C C 92 176.562 176.562 177.448 -0.886 19614 7510 1 19 . 1 1 92 92 GLN CA C 92 57.055 57.055 58.058 -1.003 19614 7511 1 19 . 1 1 92 92 GLN CB C 92 28.937 28.937 28.622 0.315 19614 7512 1 19 . 1 1 92 92 GLN H H 92 7.683 7.683 8.159 -0.476 19614 7513 1 19 . 1 1 93 93 ARG N N 93 119.664 119.664 116.647 3.017 19614 7514 1 19 . 1 1 93 93 ARG HA H 93 4.238 4.238 4.557 -0.319 19614 7515 1 19 . 1 1 93 93 ARG C C 93 175.928 175.928 176.307 -0.379 19614 7516 1 19 . 1 1 93 93 ARG CA C 93 56.467 56.467 54.556 1.911 19614 7517 1 19 . 1 1 93 93 ARG CB C 93 30.459 30.459 29.313 1.146 19614 7518 1 19 . 1 1 93 93 ARG H H 93 7.786 7.786 7.694 0.092 19614 7519 1 19 . 1 1 94 94 ALA N N 94 124.562 124.562 123.944 0.618 19614 7520 1 19 . 1 1 94 94 ALA HA H 94 4.308 4.308 4.422 -0.114 19614 7521 1 19 . 1 1 94 94 ALA C C 94 176.753 176.753 176.787 -0.034 19614 7522 1 19 . 1 1 94 94 ALA CA C 94 52.465 52.465 52.165 0.300 19614 7523 1 19 . 1 1 94 94 ALA CB C 94 19.023 19.023 18.134 0.889 19614 7524 1 19 . 1 1 94 94 ALA H H 94 8.017 8.017 7.538 0.479 19614 7525 1 20 . 1 1 27 27 LYS HA H 27 4.626 4.626 4.524 0.102 19614 7526 1 20 . 1 1 27 27 LYS CA C 27 54.410 54.410 57.442 -3.032 19614 7527 1 20 . 1 1 27 27 LYS CB C 27 32.346 32.346 32.040 0.306 19614 7528 1 20 . 1 1 28 28 PRO HA H 28 4.402 4.402 4.447 -0.045 19614 7529 1 20 . 1 1 28 28 PRO C C 28 176.815 176.815 176.050 0.765 19614 7530 1 20 . 1 1 28 28 PRO CA C 28 62.876 62.876 62.947 -0.071 19614 7531 1 20 . 1 1 28 28 PRO CB C 28 32.162 32.162 30.955 1.207 19614 7532 1 20 . 1 1 29 29 LYS N N 29 122.449 122.449 123.824 -1.375 19614 7533 1 20 . 1 1 29 29 LYS HA H 29 4.297 4.297 4.500 -0.203 19614 7534 1 20 . 1 1 29 29 LYS C C 29 176.961 176.961 176.261 0.700 19614 7535 1 20 . 1 1 29 29 LYS CA C 29 56.463 56.463 55.452 1.011 19614 7536 1 20 . 1 1 29 29 LYS CB C 29 32.816 32.816 35.099 -2.284 19614 7537 1 20 . 1 1 29 29 LYS H H 29 8.586 8.586 7.967 0.619 19614 7538 1 20 . 1 1 30 30 THR N N 30 115.695 115.695 118.463 -2.768 19614 7539 1 20 . 1 1 30 30 THR HA H 30 4.293 4.293 4.341 -0.048 19614 7540 1 20 . 1 1 30 30 THR C C 30 174.354 174.354 174.317 0.037 19614 7541 1 20 . 1 1 30 30 THR CA C 30 61.555 61.555 62.783 -1.228 19614 7542 1 20 . 1 1 30 30 THR CB C 30 69.949 69.949 68.021 1.928 19614 7543 1 20 . 1 1 30 30 THR H H 30 8.219 8.219 8.327 -0.108 19614 7544 1 20 . 1 1 31 31 ALA N N 31 125.923 125.923 128.910 -2.987 19614 7545 1 20 . 1 1 31 31 ALA HA H 31 4.312 4.312 4.594 -0.282 19614 7546 1 20 . 1 1 31 31 ALA C C 31 178.014 178.014 176.739 1.275 19614 7547 1 20 . 1 1 31 31 ALA CA C 31 52.781 52.781 51.151 1.630 19614 7548 1 20 . 1 1 31 31 ALA CB C 31 19.125 19.125 20.480 -1.355 19614 7549 1 20 . 1 1 31 31 ALA H H 31 8.505 8.505 8.187 0.318 19614 7550 1 20 . 1 1 32 32 SER N N 32 115.249 115.249 115.927 -0.678 19614 7551 1 20 . 1 1 32 32 SER HA H 32 4.338 4.338 4.569 -0.231 19614 7552 1 20 . 1 1 32 32 SER C C 32 174.783 174.783 174.071 0.712 19614 7553 1 20 . 1 1 32 32 SER CA C 32 58.633 58.633 57.676 0.957 19614 7554 1 20 . 1 1 32 32 SER CB C 32 63.475 63.475 64.090 -0.615 19614 7555 1 20 . 1 1 32 32 SER H H 32 8.365 8.365 8.328 0.037 19614 7556 1 20 . 1 1 33 33 GLU N N 33 122.748 122.748 125.278 -2.530 19614 7557 1 20 . 1 1 33 33 GLU HA H 33 4.205 4.205 4.369 -0.164 19614 7558 1 20 . 1 1 33 33 GLU C C 33 176.411 176.411 176.480 -0.069 19614 7559 1 20 . 1 1 33 33 GLU CA C 33 56.678 56.678 56.558 0.120 19614 7560 1 20 . 1 1 33 33 GLU CB C 33 30.241 30.241 29.317 0.924 19614 7561 1 20 . 1 1 33 33 GLU H H 33 8.390 8.390 8.820 -0.430 19614 7562 1 20 . 1 1 34 34 HIS N N 34 120.453 120.453 123.898 -3.445 19614 7563 1 20 . 1 1 34 34 HIS HA H 34 4.605 4.605 4.306 0.299 19614 7564 1 20 . 1 1 34 34 HIS C C 34 175.167 175.167 174.234 0.933 19614 7565 1 20 . 1 1 34 34 HIS CA C 34 56.035 56.035 57.920 -1.885 19614 7566 1 20 . 1 1 34 34 HIS CB C 34 29.938 29.938 30.503 -0.566 19614 7567 1 20 . 1 1 34 34 HIS H H 34 8.431 8.431 8.688 -0.257 19614 7568 1 20 . 1 1 35 35 ARG N N 35 122.797 122.797 119.578 3.219 19614 7569 1 20 . 1 1 35 35 ARG HA H 35 4.261 4.261 4.513 -0.252 19614 7570 1 20 . 1 1 35 35 ARG C C 35 176.411 176.411 174.533 1.878 19614 7571 1 20 . 1 1 35 35 ARG CA C 35 56.306 56.306 55.803 0.503 19614 7572 1 20 . 1 1 35 35 ARG CB C 35 30.587 30.587 31.759 -1.173 19614 7573 1 20 . 1 1 35 35 ARG H H 35 8.419 8.419 7.902 0.517 19614 7574 1 20 . 1 1 36 36 LYS N N 36 122.974 122.974 123.697 -0.723 19614 7575 1 20 . 1 1 36 36 LYS HA H 36 4.288 4.288 4.849 -0.561 19614 7576 1 20 . 1 1 36 36 LYS C C 36 176.738 176.738 176.196 0.542 19614 7577 1 20 . 1 1 36 36 LYS CA C 36 56.514 56.514 55.405 1.109 19614 7578 1 20 . 1 1 36 36 LYS CB C 36 32.857 32.857 34.198 -1.341 19614 7579 1 20 . 1 1 36 36 LYS H H 36 8.482 8.482 8.336 0.146 19614 7580 1 20 . 1 1 37 37 SER N N 37 117.137 117.137 122.908 -5.771 19614 7581 1 20 . 1 1 37 37 SER HA H 37 4.469 4.469 4.715 -0.246 19614 7582 1 20 . 1 1 37 37 SER C C 37 174.495 174.495 175.140 -0.645 19614 7583 1 20 . 1 1 37 37 SER CA C 37 58.115 58.115 59.774 -1.659 19614 7584 1 20 . 1 1 37 37 SER CB C 37 63.627 63.627 64.809 -1.182 19614 7585 1 20 . 1 1 37 37 SER H H 37 8.410 8.410 9.912 -1.502 19614 7586 1 20 . 1 1 38 38 SER N N 38 118.622 118.622 114.875 3.747 19614 7587 1 20 . 1 1 38 38 SER HA H 38 4.467 4.467 4.471 -0.004 19614 7588 1 20 . 1 1 38 38 SER C C 38 174.332 174.332 173.523 0.809 19614 7589 1 20 . 1 1 38 38 SER CA C 38 58.187 58.187 58.522 -0.335 19614 7590 1 20 . 1 1 38 38 SER CB C 38 63.703 63.703 63.852 -0.149 19614 7591 1 20 . 1 1 38 38 SER H H 38 8.456 8.456 8.010 0.446 19614 7592 1 20 . 1 1 39 39 LYS N N 39 124.176 124.176 124.462 -0.286 19614 7593 1 20 . 1 1 39 39 LYS HA H 39 4.478 4.478 4.865 -0.387 19614 7594 1 20 . 1 1 39 39 LYS C C 39 174.904 174.904 175.045 -0.141 19614 7595 1 20 . 1 1 39 39 LYS CA C 39 56.707 56.707 52.779 3.928 19614 7596 1 20 . 1 1 39 39 LYS CB C 39 31.595 31.595 32.755 -1.160 19614 7597 1 20 . 1 1 39 39 LYS H H 39 8.489 8.489 8.317 0.172 19614 7598 1 20 . 1 1 40 40 PRO HA H 40 4.401 4.401 4.293 0.108 19614 7599 1 20 . 1 1 40 40 PRO C C 40 178.173 178.173 178.559 -0.386 19614 7600 1 20 . 1 1 40 40 PRO CA C 40 64.315 64.315 65.385 -1.069 19614 7601 1 20 . 1 1 40 40 PRO CB C 40 31.675 31.675 32.036 -0.361 19614 7602 1 20 . 1 1 41 41 ILE N N 41 120.414 120.414 117.618 2.796 19614 7603 1 20 . 1 1 41 41 ILE HA H 41 3.967 3.967 3.944 0.023 19614 7604 1 20 . 1 1 41 41 ILE C C 41 177.393 177.393 177.371 0.022 19614 7605 1 20 . 1 1 41 41 ILE CA C 41 62.575 62.575 64.419 -1.844 19614 7606 1 20 . 1 1 41 41 ILE CB C 41 37.900 37.900 37.792 0.108 19614 7607 1 20 . 1 1 41 41 ILE H H 41 8.011 8.011 7.843 0.168 19614 7608 1 20 . 1 1 42 42 MET N N 42 122.411 122.411 118.178 4.233 19614 7609 1 20 . 1 1 42 42 MET HA H 42 4.330 4.330 4.223 0.107 19614 7610 1 20 . 1 1 42 42 MET C C 42 178.050 178.050 178.698 -0.648 19614 7611 1 20 . 1 1 42 42 MET CA C 42 56.959 56.959 57.636 -0.677 19614 7612 1 20 . 1 1 42 42 MET CB C 42 32.024 32.024 31.040 0.984 19614 7613 1 20 . 1 1 42 42 MET H H 42 8.335 8.335 8.027 0.308 19614 7614 1 20 . 1 1 43 43 GLU N N 43 121.832 121.832 118.643 3.189 19614 7615 1 20 . 1 1 43 43 GLU HA H 43 4.193 4.193 4.031 0.162 19614 7616 1 20 . 1 1 43 43 GLU C C 43 177.835 177.835 178.707 -0.872 19614 7617 1 20 . 1 1 43 43 GLU CA C 43 58.157 58.157 59.220 -1.063 19614 7618 1 20 . 1 1 43 43 GLU CB C 43 29.543 29.543 28.809 0.734 19614 7619 1 20 . 1 1 43 43 GLU H H 43 8.397 8.397 8.684 -0.286 19614 7620 1 20 . 1 1 44 44 LYS N N 44 121.347 121.347 120.870 0.477 19614 7621 1 20 . 1 1 44 44 LYS HA H 44 4.083 4.083 4.065 0.018 19614 7622 1 20 . 1 1 44 44 LYS C C 44 178.745 178.745 179.111 -0.366 19614 7623 1 20 . 1 1 44 44 LYS CA C 44 58.846 58.846 59.132 -0.286 19614 7624 1 20 . 1 1 44 44 LYS CB C 44 32.493 32.493 32.379 0.114 19614 7625 1 20 . 1 1 44 44 LYS H H 44 8.124 8.124 7.678 0.446 19614 7626 1 20 . 1 1 45 45 ARG N N 45 120.603 120.603 118.859 1.744 19614 7627 1 20 . 1 1 45 45 ARG HA H 45 4.247 4.247 3.997 0.250 19614 7628 1 20 . 1 1 45 45 ARG C C 45 178.025 178.025 178.750 -0.725 19614 7629 1 20 . 1 1 45 45 ARG CA C 45 58.201 58.201 59.695 -1.494 19614 7630 1 20 . 1 1 45 45 ARG CB C 45 29.888 29.888 30.089 -0.201 19614 7631 1 20 . 1 1 45 45 ARG H H 45 8.219 8.219 8.182 0.037 19614 7632 1 20 . 1 1 46 46 ARG N N 46 121.714 121.714 119.731 1.983 19614 7633 1 20 . 1 1 46 46 ARG HA H 46 3.908 3.908 4.057 -0.149 19614 7634 1 20 . 1 1 46 46 ARG C C 46 177.855 177.855 178.242 -0.387 19614 7635 1 20 . 1 1 46 46 ARG CA C 46 59.726 59.726 59.274 0.452 19614 7636 1 20 . 1 1 46 46 ARG CB C 46 30.215 30.215 30.218 -0.003 19614 7637 1 20 . 1 1 46 46 ARG H H 46 8.245 8.245 7.774 0.471 19614 7638 1 20 . 1 1 47 47 ARG N N 47 118.469 118.469 119.850 -1.381 19614 7639 1 20 . 1 1 47 47 ARG HA H 47 3.961 3.961 3.974 -0.013 19614 7640 1 20 . 1 1 47 47 ARG C C 47 177.899 177.899 178.295 -0.396 19614 7641 1 20 . 1 1 47 47 ARG CA C 47 58.541 58.541 59.456 -0.915 19614 7642 1 20 . 1 1 47 47 ARG CB C 47 29.704 29.704 30.094 -0.390 19614 7643 1 20 . 1 1 47 47 ARG H H 47 8.233 8.233 8.480 -0.247 19614 7644 1 20 . 1 1 48 48 ALA N N 48 121.720 121.720 121.235 0.485 19614 7645 1 20 . 1 1 48 48 ALA HA H 48 4.205 4.205 3.979 0.226 19614 7646 1 20 . 1 1 48 48 ALA C C 48 180.284 180.284 179.597 0.687 19614 7647 1 20 . 1 1 48 48 ALA CA C 48 54.815 54.815 55.278 -0.463 19614 7648 1 20 . 1 1 48 48 ALA CB C 48 18.025 18.025 18.347 -0.322 19614 7649 1 20 . 1 1 48 48 ALA H H 48 7.962 7.962 8.233 -0.271 19614 7650 1 20 . 1 1 49 49 ARG N N 49 119.603 119.603 118.659 0.944 19614 7651 1 20 . 1 1 49 49 ARG C C 49 179.589 179.589 179.082 0.507 19614 7652 1 20 . 1 1 49 49 ARG CA C 49 59.291 59.291 59.266 0.026 19614 7653 1 20 . 1 1 49 49 ARG CB C 49 30.993 30.993 30.146 0.847 19614 7654 1 20 . 1 1 49 49 ARG H H 49 8.103 8.103 7.649 0.454 19614 7655 1 20 . 1 1 50 50 ILE N N 50 121.545 121.545 121.874 -0.329 19614 7656 1 20 . 1 1 50 50 ILE HA H 50 3.662 3.662 3.663 -0.001 19614 7657 1 20 . 1 1 50 50 ILE C C 50 177.372 177.372 177.975 -0.603 19614 7658 1 20 . 1 1 50 50 ILE CA C 50 65.302 65.302 65.643 -0.341 19614 7659 1 20 . 1 1 50 50 ILE CB C 50 38.216 38.216 37.605 0.611 19614 7660 1 20 . 1 1 50 50 ILE H H 50 8.145 8.145 8.586 -0.441 19614 7661 1 20 . 1 1 51 51 ASN N N 51 117.894 117.894 118.351 -0.457 19614 7662 1 20 . 1 1 51 51 ASN HA H 51 4.407 4.407 4.392 0.015 19614 7663 1 20 . 1 1 51 51 ASN C C 51 178.725 178.725 178.150 0.575 19614 7664 1 20 . 1 1 51 51 ASN CA C 51 56.205 56.205 56.733 -0.528 19614 7665 1 20 . 1 1 51 51 ASN CB C 51 37.594 37.594 38.318 -0.724 19614 7666 1 20 . 1 1 51 51 ASN H H 51 8.431 8.431 8.293 0.138 19614 7667 1 20 . 1 1 52 52 GLU N N 52 121.612 121.612 120.021 1.591 19614 7668 1 20 . 1 1 52 52 GLU HA H 52 4.205 4.205 4.100 0.105 19614 7669 1 20 . 1 1 52 52 GLU C C 52 179.243 179.243 179.186 0.057 19614 7670 1 20 . 1 1 52 52 GLU CA C 52 59.291 59.291 59.224 0.067 19614 7671 1 20 . 1 1 52 52 GLU CB C 52 29.101 29.101 29.223 -0.122 19614 7672 1 20 . 1 1 52 52 GLU H H 52 8.299 8.299 8.661 -0.362 19614 7673 1 20 . 1 1 53 53 SER N N 53 116.604 116.604 115.783 0.821 19614 7674 1 20 . 1 1 53 53 SER C C 53 176.283 176.283 176.781 -0.498 19614 7675 1 20 . 1 1 53 53 SER CA C 53 63.032 63.032 61.786 1.246 19614 7676 1 20 . 1 1 53 53 SER H H 53 8.254 8.254 8.343 -0.089 19614 7677 1 20 . 1 1 54 54 LEU N N 54 121.925 121.925 123.259 -1.334 19614 7678 1 20 . 1 1 54 54 LEU HA H 54 3.962 3.962 4.021 -0.059 19614 7679 1 20 . 1 1 54 54 LEU C C 54 178.897 178.897 178.524 0.373 19614 7680 1 20 . 1 1 54 54 LEU CA C 54 58.116 58.116 58.193 -0.077 19614 7681 1 20 . 1 1 54 54 LEU CB C 54 41.576 41.576 41.914 -0.338 19614 7682 1 20 . 1 1 54 54 LEU H H 54 8.693 8.693 8.440 0.253 19614 7683 1 20 . 1 1 55 55 SER N N 55 114.515 114.515 114.637 -0.122 19614 7684 1 20 . 1 1 55 55 SER HA H 55 4.181 4.181 4.084 0.097 19614 7685 1 20 . 1 1 55 55 SER C C 55 177.381 177.381 176.448 0.933 19614 7686 1 20 . 1 1 55 55 SER CA C 55 61.568 61.568 62.923 -1.355 19614 7687 1 20 . 1 1 55 55 SER CB C 55 62.527 62.527 63.125 -0.598 19614 7688 1 20 . 1 1 55 55 SER H H 55 7.823 7.823 8.341 -0.518 19614 7689 1 20 . 1 1 56 56 GLN N N 56 120.605 120.605 122.066 -1.461 19614 7690 1 20 . 1 1 56 56 GLN HA H 56 4.087 4.087 4.126 -0.039 19614 7691 1 20 . 1 1 56 56 GLN C C 56 178.904 178.904 177.953 0.951 19614 7692 1 20 . 1 1 56 56 GLN CA C 56 58.679 58.679 58.444 0.235 19614 7693 1 20 . 1 1 56 56 GLN CB C 56 28.669 28.669 28.346 0.323 19614 7694 1 20 . 1 1 56 56 GLN H H 56 7.886 7.886 7.986 -0.100 19614 7695 1 20 . 1 1 57 57 LEU N N 57 120.488 120.488 122.733 -2.245 19614 7696 1 20 . 1 1 57 57 LEU HA H 57 3.953 3.953 3.905 0.048 19614 7697 1 20 . 1 1 57 57 LEU C C 57 177.406 177.406 178.347 -0.941 19614 7698 1 20 . 1 1 57 57 LEU CA C 57 57.957 57.957 58.389 -0.432 19614 7699 1 20 . 1 1 57 57 LEU CB C 57 41.486 41.486 42.048 -0.562 19614 7700 1 20 . 1 1 57 57 LEU H H 57 8.845 8.845 8.392 0.453 19614 7701 1 20 . 1 1 58 58 LYS N N 58 118.053 118.053 116.606 1.447 19614 7702 1 20 . 1 1 58 58 LYS C C 58 176.891 176.891 178.998 -2.107 19614 7703 1 20 . 1 1 58 58 LYS CA C 58 60.535 60.535 59.421 1.114 19614 7704 1 20 . 1 1 58 58 LYS CB C 58 31.903 31.903 31.805 0.098 19614 7705 1 20 . 1 1 58 58 LYS H H 58 8.145 8.145 8.326 -0.181 19614 7706 1 20 . 1 1 59 59 THR N N 59 112.948 112.948 117.954 -5.006 19614 7707 1 20 . 1 1 59 59 THR HA H 59 3.812 3.812 4.146 -0.334 19614 7708 1 20 . 1 1 59 59 THR C C 59 176.273 176.273 176.671 -0.398 19614 7709 1 20 . 1 1 59 59 THR CA C 59 66.367 66.367 67.088 -0.721 19614 7710 1 20 . 1 1 59 59 THR CB C 59 68.902 68.902 68.712 0.190 19614 7711 1 20 . 1 1 59 59 THR H H 59 7.393 7.393 7.622 -0.229 19614 7712 1 20 . 1 1 60 60 LEU N N 60 120.435 120.435 121.291 -0.856 19614 7713 1 20 . 1 1 60 60 LEU HA H 60 4.066 4.066 4.116 -0.050 19614 7714 1 20 . 1 1 60 60 LEU C C 60 179.994 179.994 178.970 1.024 19614 7715 1 20 . 1 1 60 60 LEU CA C 60 58.096 58.096 57.599 0.497 19614 7716 1 20 . 1 1 60 60 LEU CB C 60 43.107 43.107 40.963 2.144 19614 7717 1 20 . 1 1 60 60 LEU H H 60 8.005 8.005 8.328 -0.323 19614 7718 1 20 . 1 1 61 61 ILE N N 61 120.041 120.041 120.055 -0.014 19614 7719 1 20 . 1 1 61 61 ILE HA H 61 3.934 3.934 3.656 0.278 19614 7720 1 20 . 1 1 61 61 ILE C C 61 176.957 176.957 178.037 -1.080 19614 7721 1 20 . 1 1 61 61 ILE CA C 61 60.979 60.979 64.057 -3.078 19614 7722 1 20 . 1 1 61 61 ILE CB C 61 37.229 37.229 37.045 0.184 19614 7723 1 20 . 1 1 61 61 ILE H H 61 8.847 8.847 8.578 0.269 19614 7724 1 20 . 1 1 62 62 LEU N N 62 121.236 121.236 120.909 0.327 19614 7725 1 20 . 1 1 62 62 LEU HA H 62 3.909 3.909 3.924 -0.015 19614 7726 1 20 . 1 1 62 62 LEU C C 62 179.562 179.562 178.852 0.710 19614 7727 1 20 . 1 1 62 62 LEU CA C 62 58.035 58.035 57.586 0.449 19614 7728 1 20 . 1 1 62 62 LEU CB C 62 40.219 40.219 40.421 -0.202 19614 7729 1 20 . 1 1 62 62 LEU H H 62 7.944 7.944 8.183 -0.239 19614 7730 1 20 . 1 1 63 63 ASP N N 63 117.983 117.983 118.605 -0.622 19614 7731 1 20 . 1 1 63 63 ASP HA H 63 4.458 4.458 4.365 0.093 19614 7732 1 20 . 1 1 63 63 ASP C C 63 178.858 178.858 176.657 2.201 19614 7733 1 20 . 1 1 63 63 ASP CA C 63 56.964 56.964 56.892 0.072 19614 7734 1 20 . 1 1 63 63 ASP CB C 63 40.822 40.822 40.997 -0.175 19614 7735 1 20 . 1 1 63 63 ASP H H 63 7.844 7.844 7.864 -0.020 19614 7736 1 20 . 1 1 64 64 ALA N N 64 122.425 122.425 119.590 2.835 19614 7737 1 20 . 1 1 64 64 ALA HA H 64 4.086 4.086 4.247 -0.161 19614 7738 1 20 . 1 1 64 64 ALA C C 64 179.354 179.354 179.039 0.315 19614 7739 1 20 . 1 1 64 64 ALA CA C 64 54.396 54.396 54.115 0.280 19614 7740 1 20 . 1 1 64 64 ALA CB C 64 17.785 17.785 19.172 -1.387 19614 7741 1 20 . 1 1 64 64 ALA H H 64 7.869 7.869 7.360 0.509 19614 7742 1 20 . 1 1 65 65 LEU N N 65 116.489 116.489 116.367 0.122 19614 7743 1 20 . 1 1 65 65 LEU HA H 65 4.222 4.222 4.151 0.071 19614 7744 1 20 . 1 1 65 65 LEU C C 65 176.661 176.661 176.736 -0.075 19614 7745 1 20 . 1 1 65 65 LEU CA C 65 54.642 54.642 55.332 -0.690 19614 7746 1 20 . 1 1 65 65 LEU CB C 65 41.957 41.957 42.887 -0.930 19614 7747 1 20 . 1 1 65 65 LEU H H 65 7.669 7.669 7.578 0.091 19614 7748 1 20 . 1 1 66 66 LYS N N 66 118.229 118.229 117.386 0.843 19614 7749 1 20 . 1 1 66 66 LYS HA H 66 4.058 4.058 3.960 0.098 19614 7750 1 20 . 1 1 66 66 LYS C C 66 176.651 176.651 175.929 0.722 19614 7751 1 20 . 1 1 66 66 LYS CA C 66 57.100 57.100 57.215 -0.115 19614 7752 1 20 . 1 1 66 66 LYS CB C 66 30.249 30.249 29.218 1.031 19614 7753 1 20 . 1 1 66 66 LYS H H 66 7.806 7.806 8.162 -0.356 19614 7754 1 20 . 1 1 67 67 LYS N N 67 119.380 119.380 119.336 0.044 19614 7755 1 20 . 1 1 67 67 LYS HA H 67 4.278 4.278 4.161 0.117 19614 7756 1 20 . 1 1 67 67 LYS C C 67 176.163 176.163 176.278 -0.115 19614 7757 1 20 . 1 1 67 67 LYS CA C 67 55.658 55.658 57.840 -2.182 19614 7758 1 20 . 1 1 67 67 LYS CB C 67 33.462 33.462 33.291 0.171 19614 7759 1 20 . 1 1 67 67 LYS H H 67 8.249 8.249 8.119 0.130 19614 7760 1 20 . 1 1 68 68 ASP N N 68 120.812 120.812 114.548 6.264 19614 7761 1 20 . 1 1 68 68 ASP HA H 68 4.601 4.601 4.628 -0.027 19614 7762 1 20 . 1 1 68 68 ASP C C 68 177.001 177.001 175.116 1.885 19614 7763 1 20 . 1 1 68 68 ASP CA C 68 54.192 54.192 53.846 0.346 19614 7764 1 20 . 1 1 68 68 ASP CB C 68 41.383 41.383 42.950 -1.567 19614 7765 1 20 . 1 1 68 68 ASP H H 68 8.350 8.350 7.591 0.759 19614 7766 1 20 . 1 1 69 69 SER N N 69 119.061 119.061 118.052 1.009 19614 7767 1 20 . 1 1 69 69 SER HA H 69 4.199 4.199 4.492 -0.293 19614 7768 1 20 . 1 1 69 69 SER C C 69 175.643 175.643 176.057 -0.414 19614 7769 1 20 . 1 1 69 69 SER CA C 69 59.636 59.636 60.153 -0.516 19614 7770 1 20 . 1 1 69 69 SER CB C 69 63.237 63.237 63.802 -0.565 19614 7771 1 20 . 1 1 69 69 SER H H 69 8.608 8.608 8.638 -0.030 19614 7772 1 20 . 1 1 70 70 SER N N 70 118.325 118.325 117.626 0.699 19614 7773 1 20 . 1 1 70 70 SER HA H 70 4.335 4.335 4.288 0.047 19614 7774 1 20 . 1 1 70 70 SER C C 70 175.275 175.275 176.386 -1.111 19614 7775 1 20 . 1 1 70 70 SER CA C 70 59.700 59.700 61.956 -2.256 19614 7776 1 20 . 1 1 70 70 SER CB C 70 63.243 63.243 63.274 -0.031 19614 7777 1 20 . 1 1 70 70 SER H H 70 8.514 8.514 9.177 -0.663 19614 7778 1 20 . 1 1 71 71 ARG N N 71 121.317 121.317 118.483 2.834 19614 7779 1 20 . 1 1 71 71 ARG HA H 71 4.231 4.231 4.203 0.028 19614 7780 1 20 . 1 1 71 71 ARG C C 71 176.223 176.223 176.799 -0.576 19614 7781 1 20 . 1 1 71 71 ARG CA C 71 56.368 56.368 57.435 -1.067 19614 7782 1 20 . 1 1 71 71 ARG CB C 71 30.148 30.148 28.973 1.175 19614 7783 1 20 . 1 1 71 71 ARG H H 71 7.965 7.965 7.848 0.117 19614 7784 1 20 . 1 1 72 72 HIS N N 72 118.894 118.894 116.180 2.714 19614 7785 1 20 . 1 1 72 72 HIS HA H 72 4.663 4.663 4.492 0.171 19614 7786 1 20 . 1 1 72 72 HIS C C 72 175.122 175.122 175.214 -0.092 19614 7787 1 20 . 1 1 72 72 HIS CA C 72 55.935 55.935 57.052 -1.117 19614 7788 1 20 . 1 1 72 72 HIS CB C 72 29.974 29.974 30.311 -0.337 19614 7789 1 20 . 1 1 72 72 HIS H H 72 8.036 8.036 7.659 0.377 19614 7790 1 20 . 1 1 73 73 SER N N 73 116.302 116.302 113.938 2.364 19614 7791 1 20 . 1 1 73 73 SER HA H 73 4.313 4.313 4.380 -0.067 19614 7792 1 20 . 1 1 73 73 SER C C 73 174.559 174.559 174.225 0.334 19614 7793 1 20 . 1 1 73 73 SER CA C 73 59.297 59.297 59.294 0.003 19614 7794 1 20 . 1 1 73 73 SER CB C 73 63.522 63.522 64.053 -0.531 19614 7795 1 20 . 1 1 73 73 SER H H 73 8.029 8.029 7.671 0.358 19614 7796 1 20 . 1 1 74 74 LYS N N 74 122.545 122.545 121.954 0.591 19614 7797 1 20 . 1 1 74 74 LYS HA H 74 4.336 4.336 4.508 -0.172 19614 7798 1 20 . 1 1 74 74 LYS C C 74 175.929 175.929 174.726 1.203 19614 7799 1 20 . 1 1 74 74 LYS CA C 74 55.918 55.918 55.194 0.724 19614 7800 1 20 . 1 1 74 74 LYS CB C 74 32.143 32.143 32.239 -0.096 19614 7801 1 20 . 1 1 74 74 LYS H H 74 8.394 8.394 7.355 1.039 19614 7802 1 20 . 1 1 75 75 LEU N N 75 123.393 123.393 123.971 -0.578 19614 7803 1 20 . 1 1 75 75 LEU HA H 75 4.402 4.402 4.577 -0.175 19614 7804 1 20 . 1 1 75 75 LEU C C 75 176.575 176.575 175.976 0.599 19614 7805 1 20 . 1 1 75 75 LEU CA C 75 54.697 54.697 53.645 1.052 19614 7806 1 20 . 1 1 75 75 LEU CB C 75 43.481 43.481 43.828 -0.347 19614 7807 1 20 . 1 1 75 75 LEU H H 75 7.943 7.943 8.099 -0.156 19614 7808 1 20 . 1 1 76 76 GLU N N 76 123.357 123.357 124.762 -1.405 19614 7809 1 20 . 1 1 76 76 GLU HA H 76 4.551 4.551 4.459 0.092 19614 7810 1 20 . 1 1 76 76 GLU C C 76 177.445 177.445 177.269 0.176 19614 7811 1 20 . 1 1 76 76 GLU CA C 76 54.962 54.962 55.419 -0.457 19614 7812 1 20 . 1 1 76 76 GLU CB C 76 31.245 31.245 30.753 0.492 19614 7813 1 20 . 1 1 76 76 GLU H H 76 9.136 9.136 8.570 0.566 19614 7814 1 20 . 1 1 77 77 LYS N N 77 122.655 122.655 124.894 -2.239 19614 7815 1 20 . 1 1 77 77 LYS HA H 77 3.830 3.830 3.859 -0.029 19614 7816 1 20 . 1 1 77 77 LYS C C 77 177.908 177.908 178.215 -0.307 19614 7817 1 20 . 1 1 77 77 LYS CA C 77 61.105 61.105 60.166 0.938 19614 7818 1 20 . 1 1 77 77 LYS CB C 77 32.423 32.423 32.402 0.021 19614 7819 1 20 . 1 1 77 77 LYS H H 77 8.858 8.858 8.902 -0.044 19614 7820 1 20 . 1 1 78 78 ALA N N 78 118.008 118.008 118.763 -0.755 19614 7821 1 20 . 1 1 78 78 ALA HA H 78 3.892 3.892 4.173 -0.281 19614 7822 1 20 . 1 1 78 78 ALA C C 78 179.758 179.758 179.684 0.074 19614 7823 1 20 . 1 1 78 78 ALA CA C 78 55.456 55.456 54.778 0.679 19614 7824 1 20 . 1 1 78 78 ALA CB C 78 17.839 17.839 17.961 -0.122 19614 7825 1 20 . 1 1 78 78 ALA H H 78 9.131 9.131 8.399 0.732 19614 7826 1 20 . 1 1 79 79 ASP N N 79 114.744 114.744 119.277 -4.533 19614 7827 1 20 . 1 1 79 79 ASP HA H 79 4.346 4.346 4.565 -0.219 19614 7828 1 20 . 1 1 79 79 ASP C C 79 178.104 178.104 178.450 -0.346 19614 7829 1 20 . 1 1 79 79 ASP CA C 79 57.088 57.088 56.379 0.709 19614 7830 1 20 . 1 1 79 79 ASP CB C 79 41.728 41.728 40.874 0.854 19614 7831 1 20 . 1 1 79 79 ASP H H 79 7.052 7.052 7.747 -0.695 19614 7832 1 20 . 1 1 80 80 ILE N N 80 119.398 119.398 121.176 -1.778 19614 7833 1 20 . 1 1 80 80 ILE HA H 80 3.592 3.592 3.626 -0.034 19614 7834 1 20 . 1 1 80 80 ILE C C 80 179.567 179.567 178.116 1.451 19614 7835 1 20 . 1 1 80 80 ILE CA C 80 64.201 64.201 65.576 -1.375 19614 7836 1 20 . 1 1 80 80 ILE CB C 80 37.514 37.514 38.106 -0.592 19614 7837 1 20 . 1 1 80 80 ILE H H 80 7.983 7.983 8.080 -0.097 19614 7838 1 20 . 1 1 81 81 LEU N N 81 120.930 120.930 119.787 1.143 19614 7839 1 20 . 1 1 81 81 LEU HA H 81 3.931 3.931 3.822 0.109 19614 7840 1 20 . 1 1 81 81 LEU C C 81 178.312 178.312 178.859 -0.547 19614 7841 1 20 . 1 1 81 81 LEU CA C 81 58.588 58.588 58.429 0.159 19614 7842 1 20 . 1 1 81 81 LEU CB C 81 41.727 41.727 41.231 0.496 19614 7843 1 20 . 1 1 81 81 LEU H H 81 8.171 8.171 8.320 -0.149 19614 7844 1 20 . 1 1 82 82 GLU N N 82 119.314 119.314 119.031 0.283 19614 7845 1 20 . 1 1 82 82 GLU HA H 82 3.917 3.917 3.939 -0.022 19614 7846 1 20 . 1 1 82 82 GLU C C 82 180.151 180.151 178.903 1.248 19614 7847 1 20 . 1 1 82 82 GLU CA C 82 59.864 59.864 59.362 0.502 19614 7848 1 20 . 1 1 82 82 GLU CB C 82 29.364 29.364 29.490 -0.126 19614 7849 1 20 . 1 1 82 82 GLU H H 82 7.984 7.984 7.866 0.118 19614 7850 1 20 . 1 1 83 83 MET N N 83 118.669 118.669 119.389 -0.720 19614 7851 1 20 . 1 1 83 83 MET HA H 83 4.033 4.033 4.158 -0.125 19614 7852 1 20 . 1 1 83 83 MET C C 83 178.488 178.488 178.409 0.079 19614 7853 1 20 . 1 1 83 83 MET CA C 83 59.083 59.083 59.472 -0.389 19614 7854 1 20 . 1 1 83 83 MET CB C 83 33.883 33.883 32.619 1.264 19614 7855 1 20 . 1 1 83 83 MET H H 83 8.639 8.639 7.668 0.971 19614 7856 1 20 . 1 1 84 84 THR N N 84 118.733 118.733 117.168 1.565 19614 7857 1 20 . 1 1 84 84 THR HA H 84 3.853 3.853 4.023 -0.170 19614 7858 1 20 . 1 1 84 84 THR C C 84 175.659 175.659 176.701 -1.042 19614 7859 1 20 . 1 1 84 84 THR CA C 84 68.029 68.029 67.114 0.915 19614 7860 1 20 . 1 1 84 84 THR CB C 84 67.595 67.595 68.898 -1.303 19614 7861 1 20 . 1 1 84 84 THR H H 84 7.946 7.946 7.879 0.067 19614 7862 1 20 . 1 1 85 85 VAL N N 85 122.083 122.083 122.031 0.052 19614 7863 1 20 . 1 1 85 85 VAL HA H 85 3.311 3.311 3.594 -0.283 19614 7864 1 20 . 1 1 85 85 VAL C C 85 177.078 177.078 177.567 -0.489 19614 7865 1 20 . 1 1 85 85 VAL CA C 85 67.381 67.381 66.763 0.618 19614 7866 1 20 . 1 1 85 85 VAL CB C 85 32.168 32.168 31.437 0.731 19614 7867 1 20 . 1 1 85 85 VAL H H 85 8.089 8.089 8.225 -0.136 19614 7868 1 20 . 1 1 86 86 LYS N N 86 117.409 117.409 118.782 -1.373 19614 7869 1 20 . 1 1 86 86 LYS HA H 86 3.835 3.835 3.979 -0.144 19614 7870 1 20 . 1 1 86 86 LYS C C 86 178.617 178.617 178.842 -0.225 19614 7871 1 20 . 1 1 86 86 LYS CA C 86 60.014 60.014 59.758 0.256 19614 7872 1 20 . 1 1 86 86 LYS CB C 86 32.336 32.336 32.105 0.231 19614 7873 1 20 . 1 1 86 86 LYS H H 86 7.785 7.785 8.501 -0.716 19614 7874 1 20 . 1 1 87 87 HIS N N 87 118.731 118.731 119.804 -1.073 19614 7875 1 20 . 1 1 87 87 HIS HA H 87 4.513 4.513 4.383 0.130 19614 7876 1 20 . 1 1 87 87 HIS C C 87 177.356 177.356 177.229 0.127 19614 7877 1 20 . 1 1 87 87 HIS CA C 87 59.368 59.368 58.709 0.659 19614 7878 1 20 . 1 1 87 87 HIS CB C 87 32.047 32.047 30.654 1.393 19614 7879 1 20 . 1 1 87 87 HIS H H 87 8.055 8.055 8.058 -0.003 19614 7880 1 20 . 1 1 88 88 LEU N N 88 117.189 117.189 121.487 -4.298 19614 7881 1 20 . 1 1 88 88 LEU C C 88 180.158 180.158 178.716 1.442 19614 7882 1 20 . 1 1 88 88 LEU CA C 88 57.927 57.927 57.974 -0.048 19614 7883 1 20 . 1 1 88 88 LEU CB C 88 41.748 41.748 41.555 0.193 19614 7884 1 20 . 1 1 88 88 LEU H H 88 8.450 8.450 7.952 0.498 19614 7885 1 20 . 1 1 89 89 ARG N N 89 119.542 119.542 119.190 0.352 19614 7886 1 20 . 1 1 89 89 ARG HA H 89 3.901 3.901 3.885 0.016 19614 7887 1 20 . 1 1 89 89 ARG C C 89 178.875 178.875 178.829 0.046 19614 7888 1 20 . 1 1 89 89 ARG CA C 89 59.667 59.667 59.251 0.416 19614 7889 1 20 . 1 1 89 89 ARG CB C 89 29.542 29.542 29.412 0.130 19614 7890 1 20 . 1 1 89 89 ARG H H 89 8.616 8.616 8.017 0.599 19614 7891 1 20 . 1 1 90 90 ASN N N 90 118.676 118.676 118.320 0.356 19614 7892 1 20 . 1 1 90 90 ASN HA H 90 4.478 4.478 4.448 0.030 19614 7893 1 20 . 1 1 90 90 ASN C C 90 177.824 177.824 178.355 -0.531 19614 7894 1 20 . 1 1 90 90 ASN CA C 90 55.393 55.393 55.831 -0.438 19614 7895 1 20 . 1 1 90 90 ASN CB C 90 37.874 37.874 38.154 -0.280 19614 7896 1 20 . 1 1 90 90 ASN H H 90 7.935 7.935 7.801 0.134 19614 7897 1 20 . 1 1 91 91 LEU N N 91 119.885 119.885 120.359 -0.474 19614 7898 1 20 . 1 1 91 91 LEU HA H 91 4.045 4.045 3.920 0.125 19614 7899 1 20 . 1 1 91 91 LEU C C 91 178.707 178.707 179.108 -0.401 19614 7900 1 20 . 1 1 91 91 LEU CA C 91 56.705 56.705 57.636 -0.930 19614 7901 1 20 . 1 1 91 91 LEU CB C 91 41.918 41.918 41.367 0.551 19614 7902 1 20 . 1 1 91 91 LEU H H 91 7.890 7.890 8.410 -0.520 19614 7903 1 20 . 1 1 92 92 GLN N N 92 118.288 118.288 117.047 1.241 19614 7904 1 20 . 1 1 92 92 GLN HA H 92 4.149 4.149 4.128 0.021 19614 7905 1 20 . 1 1 92 92 GLN C C 92 176.562 176.562 177.226 -0.664 19614 7906 1 20 . 1 1 92 92 GLN CA C 92 57.055 57.055 58.091 -1.036 19614 7907 1 20 . 1 1 92 92 GLN CB C 92 28.937 28.937 28.627 0.310 19614 7908 1 20 . 1 1 92 92 GLN H H 92 7.683 7.683 8.146 -0.463 19614 7909 1 20 . 1 1 93 93 ARG N N 93 119.664 119.664 114.693 4.971 19614 7910 1 20 . 1 1 93 93 ARG HA H 93 4.238 4.238 4.532 -0.294 19614 7911 1 20 . 1 1 93 93 ARG C C 93 175.928 175.928 176.461 -0.533 19614 7912 1 20 . 1 1 93 93 ARG CA C 93 56.467 56.467 55.669 0.798 19614 7913 1 20 . 1 1 93 93 ARG CB C 93 30.459 30.459 29.889 0.570 19614 7914 1 20 . 1 1 93 93 ARG H H 93 7.786 7.786 7.504 0.282 19614 7915 1 20 . 1 1 94 94 ALA N N 94 124.562 124.562 123.343 1.219 19614 7916 1 20 . 1 1 94 94 ALA HA H 94 4.308 4.308 4.267 0.041 19614 7917 1 20 . 1 1 94 94 ALA C C 94 176.753 176.753 176.744 0.009 19614 7918 1 20 . 1 1 94 94 ALA CA C 94 52.465 52.465 52.908 -0.443 19614 7919 1 20 . 1 1 94 94 ALA CB C 94 19.023 19.023 18.669 0.354 19614 7920 1 20 . 1 1 94 94 ALA H H 94 8.017 8.017 7.444 0.573 19614 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 65 2.069 -0.007 2.085 19614 2 1 1 "Average Difference" HA 64 0.171 0.031 0.169 19614 3 1 1 "Average Difference" C 67 0.918 -0.106 0.919 19614 4 1 1 "Average Difference" CA 68 1.003 0.140 1.000 19614 5 1 1 "Average Difference" CB 67 0.757 -0.059 0.760 19614 6 1 1 "Average Difference" HN 65 0.437 -0.083 0.432 19614 7 1 2 "Average Difference" N 65 2.279 -0.185 2.289 19614 8 1 2 "Average Difference" HA 64 0.162 0.024 0.161 19614 9 1 2 "Average Difference" C 67 0.916 -0.026 0.922 19614 10 1 2 "Average Difference" CA 68 1.130 0.176 1.125 19614 11 1 2 "Average Difference" CB 67 0.818 -0.122 0.815 19614 12 1 2 "Average Difference" HN 65 0.399 -0.094 0.391 19614 13 1 3 "Average Difference" N 65 2.444 -0.553 2.400 19614 14 1 3 "Average Difference" HA 64 0.173 0.031 0.171 19614 15 1 3 "Average Difference" C 67 0.921 -0.012 0.927 19614 16 1 3 "Average Difference" CA 68 1.105 0.236 1.088 19614 17 1 3 "Average Difference" CB 67 0.832 -0.172 0.820 19614 18 1 3 "Average Difference" HN 65 0.467 -0.052 0.468 19614 19 1 4 "Average Difference" N 65 2.194 -0.339 2.185 19614 20 1 4 "Average Difference" HA 64 0.167 0.025 0.166 19614 21 1 4 "Average Difference" C 67 0.836 0.017 0.842 19614 22 1 4 "Average Difference" CA 68 1.138 0.244 1.120 19614 23 1 4 "Average Difference" CB 67 0.876 -0.097 0.877 19614 24 1 4 "Average Difference" HN 65 0.454 -0.070 0.452 19614 25 1 5 "Average Difference" N 65 2.128 -0.455 2.095 19614 26 1 5 "Average Difference" HA 64 0.159 0.025 0.158 19614 27 1 5 "Average Difference" C 67 0.878 0.001 0.884 19614 28 1 5 "Average Difference" CA 68 1.144 0.328 1.104 19614 29 1 5 "Average Difference" CB 67 0.834 -0.087 0.836 19614 30 1 5 "Average Difference" HN 65 0.416 -0.067 0.413 19614 31 1 6 "Average Difference" N 65 2.121 -0.584 2.055 19614 32 1 6 "Average Difference" HA 64 0.173 0.025 0.173 19614 33 1 6 "Average Difference" C 67 0.962 -0.045 0.969 19614 34 1 6 "Average Difference" CA 68 1.069 0.241 1.049 19614 35 1 6 "Average Difference" CB 67 0.886 -0.015 0.892 19614 36 1 6 "Average Difference" HN 65 0.441 -0.086 0.436 19614 37 1 7 "Average Difference" N 65 2.185 -0.257 2.187 19614 38 1 7 "Average Difference" HA 64 0.178 0.028 0.177 19614 39 1 7 "Average Difference" C 67 0.887 0.036 0.893 19614 40 1 7 "Average Difference" CA 68 1.172 0.181 1.166 19614 41 1 7 "Average Difference" CB 67 0.814 -0.170 0.802 19614 42 1 7 "Average Difference" HN 65 0.409 -0.069 0.406 19614 43 1 8 "Average Difference" N 65 2.347 -0.176 2.359 19614 44 1 8 "Average Difference" HA 64 0.177 0.009 0.178 19614 45 1 8 "Average Difference" C 67 0.843 -0.038 0.849 19614 46 1 8 "Average Difference" CA 68 1.038 0.179 1.030 19614 47 1 8 "Average Difference" CB 67 0.810 -0.070 0.813 19614 48 1 8 "Average Difference" HN 65 0.414 -0.085 0.408 19614 49 1 9 "Average Difference" N 65 1.992 -0.031 2.007 19614 50 1 9 "Average Difference" HA 64 0.176 0.022 0.176 19614 51 1 9 "Average Difference" C 67 0.804 -0.079 0.806 19614 52 1 9 "Average Difference" CA 68 1.066 0.138 1.065 19614 53 1 9 "Average Difference" CB 67 0.847 -0.161 0.837 19614 54 1 9 "Average Difference" HN 65 0.446 -0.120 0.432 19614 55 1 10 "Average Difference" N 65 2.449 -0.483 2.420 19614 56 1 10 "Average Difference" HA 64 0.162 0.018 0.163 19614 57 1 10 "Average Difference" C 67 0.972 -0.075 0.977 19614 58 1 10 "Average Difference" CA 68 1.083 0.171 1.078 19614 59 1 10 "Average Difference" CB 67 0.810 -0.065 0.813 19614 60 1 10 "Average Difference" HN 65 0.401 -0.092 0.394 19614 61 1 11 "Average Difference" N 65 2.105 -0.417 2.080 19614 62 1 11 "Average Difference" HA 64 0.158 0.031 0.156 19614 63 1 11 "Average Difference" C 67 0.944 -0.104 0.945 19614 64 1 11 "Average Difference" CA 68 1.085 0.156 1.082 19614 65 1 11 "Average Difference" CB 67 0.817 0.031 0.823 19614 66 1 11 "Average Difference" HN 65 0.471 -0.078 0.468 19614 67 1 12 "Average Difference" N 65 2.035 -0.356 2.020 19614 68 1 12 "Average Difference" HA 64 0.166 0.054 0.158 19614 69 1 12 "Average Difference" C 67 0.924 -0.013 0.931 19614 70 1 12 "Average Difference" CA 68 1.133 0.140 1.133 19614 71 1 12 "Average Difference" CB 67 0.833 -0.072 0.836 19614 72 1 12 "Average Difference" HN 65 0.427 -0.062 0.426 19614 73 1 13 "Average Difference" N 65 2.188 -0.576 2.127 19614 74 1 13 "Average Difference" HA 64 0.175 0.016 0.176 19614 75 1 13 "Average Difference" C 67 0.986 -0.044 0.992 19614 76 1 13 "Average Difference" CA 68 1.090 0.247 1.070 19614 77 1 13 "Average Difference" CB 67 0.850 -0.120 0.848 19614 78 1 13 "Average Difference" HN 65 0.394 -0.102 0.384 19614 79 1 14 "Average Difference" N 65 2.488 0.097 2.506 19614 80 1 14 "Average Difference" HA 64 0.151 0.017 0.151 19614 81 1 14 "Average Difference" C 67 0.827 0.022 0.833 19614 82 1 14 "Average Difference" CA 68 1.092 0.168 1.087 19614 83 1 14 "Average Difference" CB 67 0.819 -0.146 0.812 19614 84 1 14 "Average Difference" HN 65 0.413 -0.055 0.413 19614 85 1 15 "Average Difference" N 65 2.417 -0.213 2.426 19614 86 1 15 "Average Difference" HA 64 0.149 0.020 0.148 19614 87 1 15 "Average Difference" C 67 0.874 0.037 0.880 19614 88 1 15 "Average Difference" CA 68 1.097 0.312 1.060 19614 89 1 15 "Average Difference" CB 67 0.722 -0.158 0.710 19614 90 1 15 "Average Difference" HN 65 0.450 -0.048 0.451 19614 91 1 16 "Average Difference" N 65 2.213 -0.528 2.165 19614 92 1 16 "Average Difference" HA 64 0.148 0.015 0.148 19614 93 1 16 "Average Difference" C 67 0.808 -0.007 0.814 19614 94 1 16 "Average Difference" CA 68 1.105 0.231 1.089 19614 95 1 16 "Average Difference" CB 67 0.740 -0.166 0.726 19614 96 1 16 "Average Difference" HN 65 0.434 -0.105 0.424 19614 97 1 17 "Average Difference" N 65 2.051 -0.205 2.056 19614 98 1 17 "Average Difference" HA 64 0.182 0.033 0.180 19614 99 1 17 "Average Difference" C 67 0.848 -0.160 0.839 19614 100 1 17 "Average Difference" CA 68 1.047 0.119 1.048 19614 101 1 17 "Average Difference" CB 67 0.890 -0.026 0.896 19614 102 1 17 "Average Difference" HN 65 0.427 -0.089 0.421 19614 103 1 18 "Average Difference" N 65 2.209 -0.143 2.222 19614 104 1 18 "Average Difference" HA 64 0.168 0.024 0.168 19614 105 1 18 "Average Difference" C 67 0.895 -0.006 0.902 19614 106 1 18 "Average Difference" CA 68 1.095 0.221 1.080 19614 107 1 18 "Average Difference" CB 67 0.785 -0.091 0.786 19614 108 1 18 "Average Difference" HN 65 0.407 -0.060 0.406 19614 109 1 19 "Average Difference" N 65 2.591 -0.194 2.604 19614 110 1 19 "Average Difference" HA 64 0.175 0.026 0.174 19614 111 1 19 "Average Difference" C 67 0.917 0.028 0.924 19614 112 1 19 "Average Difference" CA 68 1.424 0.296 1.403 19614 113 1 19 "Average Difference" CB 67 1.009 -0.186 0.999 19614 114 1 19 "Average Difference" HN 65 0.408 -0.075 0.404 19614 115 1 20 "Average Difference" N 65 2.284 -0.075 2.300 19614 116 1 20 "Average Difference" HA 64 0.175 0.040 0.172 19614 117 1 20 "Average Difference" C 67 0.816 -0.114 0.814 19614 118 1 20 "Average Difference" CA 68 1.138 0.193 1.130 19614 119 1 20 "Average Difference" CB 67 0.829 0.020 0.835 19614 120 1 20 "Average Difference" HN 65 0.446 -0.054 0.446 19614 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 19614 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 27 27 LYS HA H 27 4.626 4.626 4.591 0.035 19614 2 1 . 1 1 27 27 LYS CA C 27 54.410 54.410 55.494 -1.084 19614 3 1 . 1 1 27 27 LYS CB C 27 32.346 32.346 32.619 -0.273 19614 4 1 . 1 1 28 28 PRO HA H 28 4.402 4.402 4.432 -0.030 19614 5 1 . 1 1 28 28 PRO C C 28 176.815 176.815 176.446 0.369 19614 6 1 . 1 1 28 28 PRO CA C 28 62.876 62.876 63.170 -0.294 19614 7 1 . 1 1 28 28 PRO CB C 28 32.162 32.162 32.007 0.155 19614 8 1 . 1 1 29 29 LYS N N 29 122.449 122.449 121.126 1.323 19614 9 1 . 1 1 29 29 LYS HA H 29 4.297 4.297 4.354 -0.057 19614 10 1 . 1 1 29 29 LYS C C 29 176.961 176.961 176.612 0.349 19614 11 1 . 1 1 29 29 LYS CA C 29 56.463 56.463 56.601 -0.138 19614 12 1 . 1 1 29 29 LYS CB C 29 32.816 32.816 32.698 0.118 19614 13 1 . 1 1 29 29 LYS H H 29 8.586 8.586 8.258 0.328 19614 14 1 . 1 1 30 30 THR N N 30 115.695 115.695 116.590 -0.895 19614 15 1 . 1 1 30 30 THR HA H 30 4.293 4.293 4.313 -0.020 19614 16 1 . 1 1 30 30 THR C C 30 174.354 174.354 174.097 0.257 19614 17 1 . 1 1 30 30 THR CA C 30 61.555 61.555 62.930 -1.375 19614 18 1 . 1 1 30 30 THR CB C 30 69.949 69.949 68.981 0.968 19614 19 1 . 1 1 30 30 THR H H 30 8.219 8.219 8.228 -0.009 19614 20 1 . 1 1 31 31 ALA N N 31 125.923 125.923 126.502 -0.579 19614 21 1 . 1 1 31 31 ALA HA H 31 4.312 4.312 4.462 -0.149 19614 22 1 . 1 1 31 31 ALA C C 31 178.014 178.014 176.740 1.274 19614 23 1 . 1 1 31 31 ALA CA C 31 52.781 52.781 52.059 0.722 19614 24 1 . 1 1 31 31 ALA CB C 31 19.125 19.125 19.213 -0.088 19614 25 1 . 1 1 31 31 ALA H H 31 8.505 8.505 8.210 0.295 19614 26 1 . 1 1 32 32 SER N N 32 115.249 115.249 116.406 -1.157 19614 27 1 . 1 1 32 32 SER HA H 32 4.338 4.338 4.402 -0.064 19614 28 1 . 1 1 32 32 SER C C 32 174.783 174.783 174.420 0.363 19614 29 1 . 1 1 32 32 SER CA C 32 58.633 58.633 58.359 0.274 19614 30 1 . 1 1 32 32 SER CB C 32 63.475 63.475 63.729 -0.254 19614 31 1 . 1 1 32 32 SER H H 32 8.365 8.365 8.079 0.286 19614 32 1 . 1 1 33 33 GLU N N 33 122.748 122.748 123.129 -0.381 19614 33 1 . 1 1 33 33 GLU HA H 33 4.205 4.205 4.172 0.033 19614 34 1 . 1 1 33 33 GLU C C 33 176.411 176.411 176.170 0.241 19614 35 1 . 1 1 33 33 GLU CA C 33 56.678 56.678 57.164 -0.486 19614 36 1 . 1 1 33 33 GLU CB C 33 30.241 30.241 29.594 0.647 19614 37 1 . 1 1 33 33 GLU H H 33 8.390 8.390 8.575 -0.185 19614 38 1 . 1 1 34 34 HIS N N 34 120.453 120.453 120.312 0.141 19614 39 1 . 1 1 34 34 HIS HA H 34 4.605 4.605 4.589 0.016 19614 40 1 . 1 1 34 34 HIS C C 34 175.167 175.167 175.095 0.072 19614 41 1 . 1 1 34 34 HIS CA C 34 56.035 56.035 56.322 -0.286 19614 42 1 . 1 1 34 34 HIS CB C 34 29.938 29.938 30.159 -0.221 19614 43 1 . 1 1 34 34 HIS H H 34 8.431 8.431 8.152 0.279 19614 44 1 . 1 1 35 35 ARG N N 35 122.797 122.797 122.368 0.429 19614 45 1 . 1 1 35 35 ARG HA H 35 4.261 4.261 4.333 -0.072 19614 46 1 . 1 1 35 35 ARG C C 35 176.411 176.411 175.613 0.798 19614 47 1 . 1 1 35 35 ARG CA C 35 56.306 56.306 56.451 -0.145 19614 48 1 . 1 1 35 35 ARG CB C 35 30.587 30.587 30.836 -0.250 19614 49 1 . 1 1 35 35 ARG H H 35 8.419 8.419 8.323 0.096 19614 50 1 . 1 1 36 36 LYS N N 36 122.974 122.974 122.279 0.695 19614 51 1 . 1 1 36 36 LYS HA H 36 4.288 4.288 4.498 -0.210 19614 52 1 . 1 1 36 36 LYS C C 36 176.738 176.738 175.309 1.429 19614 53 1 . 1 1 36 36 LYS CA C 36 56.514 56.514 55.993 0.521 19614 54 1 . 1 1 36 36 LYS CB C 36 32.857 32.857 33.198 -0.341 19614 55 1 . 1 1 36 36 LYS H H 36 8.482 8.482 8.232 0.249 19614 56 1 . 1 1 37 37 SER N N 37 117.137 117.137 119.713 -2.576 19614 57 1 . 1 1 37 37 SER HA H 37 4.469 4.469 4.673 -0.204 19614 58 1 . 1 1 37 37 SER C C 37 174.495 174.495 174.065 0.430 19614 59 1 . 1 1 37 37 SER CA C 37 58.115 58.115 58.349 -0.234 19614 60 1 . 1 1 37 37 SER CB C 37 63.627 63.627 63.905 -0.278 19614 61 1 . 1 1 37 37 SER H H 37 8.410 8.410 8.678 -0.267 19614 62 1 . 1 1 38 38 SER N N 38 118.622 118.622 116.641 1.981 19614 63 1 . 1 1 38 38 SER HA H 38 4.467 4.467 4.546 -0.079 19614 64 1 . 1 1 38 38 SER C C 38 174.332 174.332 173.453 0.879 19614 65 1 . 1 1 38 38 SER CA C 38 58.187 58.187 58.478 -0.291 19614 66 1 . 1 1 38 38 SER CB C 38 63.703 63.703 64.146 -0.443 19614 67 1 . 1 1 38 38 SER H H 38 8.456 8.456 8.244 0.212 19614 68 1 . 1 1 39 39 LYS N N 39 124.176 124.176 122.936 1.240 19614 69 1 . 1 1 39 39 LYS HA H 39 4.478 4.478 4.736 -0.258 19614 70 1 . 1 1 39 39 LYS C C 39 174.904 174.904 175.528 -0.624 19614 71 1 . 1 1 39 39 LYS CA C 39 56.707 56.707 53.419 3.288 19614 72 1 . 1 1 39 39 LYS CB C 39 31.595 31.595 32.677 -1.082 19614 73 1 . 1 1 39 39 LYS H H 39 8.489 8.489 8.135 0.354 19614 74 1 . 1 1 40 40 PRO HA H 40 4.401 4.401 4.335 0.066 19614 75 1 . 1 1 40 40 PRO C C 40 178.173 178.173 178.668 -0.495 19614 76 1 . 1 1 40 40 PRO CA C 40 64.315 64.315 65.323 -1.008 19614 77 1 . 1 1 40 40 PRO CB C 40 31.675 31.675 32.000 -0.325 19614 78 1 . 1 1 41 41 ILE N N 41 120.414 120.414 117.730 2.684 19614 79 1 . 1 1 41 41 ILE HA H 41 3.967 3.967 3.918 0.049 19614 80 1 . 1 1 41 41 ILE C C 41 177.393 177.393 177.448 -0.055 19614 81 1 . 1 1 41 41 ILE CA C 41 62.575 62.575 64.458 -1.882 19614 82 1 . 1 1 41 41 ILE CB C 41 37.900 37.900 37.818 0.082 19614 83 1 . 1 1 41 41 ILE H H 41 8.011 8.011 7.856 0.155 19614 84 1 . 1 1 42 42 MET N N 42 122.411 122.411 118.097 4.314 19614 85 1 . 1 1 42 42 MET HA H 42 4.330 4.330 4.216 0.114 19614 86 1 . 1 1 42 42 MET C C 42 178.050 178.050 178.626 -0.576 19614 87 1 . 1 1 42 42 MET CA C 42 56.959 56.959 57.915 -0.956 19614 88 1 . 1 1 42 42 MET CB C 42 32.024 32.024 31.133 0.891 19614 89 1 . 1 1 42 42 MET H H 42 8.335 8.335 7.998 0.338 19614 90 1 . 1 1 43 43 GLU N N 43 121.832 121.832 118.532 3.301 19614 91 1 . 1 1 43 43 GLU HA H 43 4.193 4.193 4.051 0.142 19614 92 1 . 1 1 43 43 GLU C C 43 177.835 177.835 178.796 -0.961 19614 93 1 . 1 1 43 43 GLU CA C 43 58.157 58.157 59.173 -1.016 19614 94 1 . 1 1 43 43 GLU CB C 43 29.543 29.543 28.878 0.664 19614 95 1 . 1 1 43 43 GLU H H 43 8.397 8.397 8.641 -0.244 19614 96 1 . 1 1 44 44 LYS N N 44 121.347 121.347 121.144 0.203 19614 97 1 . 1 1 44 44 LYS HA H 44 4.083 4.083 4.079 0.004 19614 98 1 . 1 1 44 44 LYS C C 44 178.745 178.745 178.953 -0.208 19614 99 1 . 1 1 44 44 LYS CA C 44 58.846 58.846 58.939 -0.093 19614 100 1 . 1 1 44 44 LYS CB C 44 32.493 32.493 32.323 0.170 19614 101 1 . 1 1 44 44 LYS H H 44 8.124 8.124 7.718 0.406 19614 102 1 . 1 1 45 45 ARG N N 45 120.603 120.603 119.015 1.588 19614 103 1 . 1 1 45 45 ARG HA H 45 4.247 4.247 3.987 0.260 19614 104 1 . 1 1 45 45 ARG C C 45 178.025 178.025 178.736 -0.711 19614 105 1 . 1 1 45 45 ARG CA C 45 58.201 58.201 59.718 -1.517 19614 106 1 . 1 1 45 45 ARG CB C 45 29.888 29.888 30.133 -0.245 19614 107 1 . 1 1 45 45 ARG H H 45 8.219 8.219 8.203 0.016 19614 108 1 . 1 1 46 46 ARG N N 46 121.714 121.714 119.777 1.937 19614 109 1 . 1 1 46 46 ARG HA H 46 3.908 3.908 4.004 -0.096 19614 110 1 . 1 1 46 46 ARG C C 46 177.855 177.855 178.224 -0.369 19614 111 1 . 1 1 46 46 ARG CA C 46 59.726 59.726 59.453 0.273 19614 112 1 . 1 1 46 46 ARG CB C 46 30.215 30.215 30.158 0.057 19614 113 1 . 1 1 46 46 ARG H H 46 8.245 8.245 8.273 -0.028 19614 114 1 . 1 1 47 47 ARG N N 47 118.469 118.469 119.371 -0.902 19614 115 1 . 1 1 47 47 ARG HA H 47 3.961 3.961 4.003 -0.042 19614 116 1 . 1 1 47 47 ARG C C 47 177.899 177.899 178.259 -0.360 19614 117 1 . 1 1 47 47 ARG CA C 47 58.541 58.541 59.362 -0.821 19614 118 1 . 1 1 47 47 ARG CB C 47 29.704 29.704 30.074 -0.370 19614 119 1 . 1 1 47 47 ARG H H 47 8.233 8.233 8.295 -0.062 19614 120 1 . 1 1 48 48 ALA N N 48 121.720 121.720 121.554 0.166 19614 121 1 . 1 1 48 48 ALA HA H 48 4.205 4.205 4.009 0.196 19614 122 1 . 1 1 48 48 ALA C C 48 180.284 180.284 179.603 0.681 19614 123 1 . 1 1 48 48 ALA CA C 48 54.815 54.815 55.242 -0.427 19614 124 1 . 1 1 48 48 ALA CB C 48 18.025 18.025 18.233 -0.209 19614 125 1 . 1 1 48 48 ALA H H 48 7.962 7.962 8.221 -0.259 19614 126 1 . 1 1 49 49 ARG N N 49 119.603 119.603 118.708 0.895 19614 127 1 . 1 1 49 49 ARG C C 49 179.589 179.589 178.986 0.603 19614 128 1 . 1 1 49 49 ARG CA C 49 59.291 59.291 58.938 0.353 19614 129 1 . 1 1 49 49 ARG CB C 49 30.993 30.993 29.997 0.996 19614 130 1 . 1 1 49 49 ARG H H 49 8.103 8.103 7.768 0.335 19614 131 1 . 1 1 50 50 ILE N N 50 121.545 121.545 121.407 0.138 19614 132 1 . 1 1 50 50 ILE HA H 50 3.662 3.662 3.555 0.107 19614 133 1 . 1 1 50 50 ILE C C 50 177.372 177.372 177.826 -0.454 19614 134 1 . 1 1 50 50 ILE CA C 50 65.302 65.302 65.684 -0.382 19614 135 1 . 1 1 50 50 ILE CB C 50 38.216 38.216 37.472 0.744 19614 136 1 . 1 1 50 50 ILE H H 50 8.145 8.145 8.565 -0.420 19614 137 1 . 1 1 51 51 ASN N N 51 117.894 117.894 118.110 -0.216 19614 138 1 . 1 1 51 51 ASN HA H 51 4.407 4.407 4.414 -0.007 19614 139 1 . 1 1 51 51 ASN C C 51 178.725 178.725 178.211 0.514 19614 140 1 . 1 1 51 51 ASN CA C 51 56.205 56.205 56.432 -0.227 19614 141 1 . 1 1 51 51 ASN CB C 51 37.594 37.594 38.003 -0.408 19614 142 1 . 1 1 51 51 ASN H H 51 8.431 8.431 8.231 0.200 19614 143 1 . 1 1 52 52 GLU N N 52 121.612 121.612 120.647 0.965 19614 144 1 . 1 1 52 52 GLU HA H 52 4.205 4.205 4.078 0.127 19614 145 1 . 1 1 52 52 GLU C C 52 179.243 179.243 179.209 0.034 19614 146 1 . 1 1 52 52 GLU CA C 52 59.291 59.291 59.388 -0.097 19614 147 1 . 1 1 52 52 GLU CB C 52 29.101 29.101 29.309 -0.208 19614 148 1 . 1 1 52 52 GLU H H 52 8.299 8.299 8.620 -0.321 19614 149 1 . 1 1 53 53 SER N N 53 116.604 116.604 116.189 0.415 19614 150 1 . 1 1 53 53 SER C C 53 176.283 176.283 176.651 -0.368 19614 151 1 . 1 1 53 53 SER CA C 53 63.032 63.032 61.856 1.176 19614 152 1 . 1 1 53 53 SER H H 53 8.254 8.254 8.185 0.069 19614 153 1 . 1 1 54 54 LEU N N 54 121.925 121.925 122.747 -0.822 19614 154 1 . 1 1 54 54 LEU HA H 54 3.962 3.962 4.031 -0.069 19614 155 1 . 1 1 54 54 LEU C C 54 178.897 178.897 178.128 0.769 19614 156 1 . 1 1 54 54 LEU CA C 54 58.116 58.116 57.932 0.184 19614 157 1 . 1 1 54 54 LEU CB C 54 41.576 41.576 41.935 -0.358 19614 158 1 . 1 1 54 54 LEU H H 54 8.693 8.693 8.468 0.225 19614 159 1 . 1 1 55 55 SER N N 55 114.515 114.515 115.066 -0.551 19614 160 1 . 1 1 55 55 SER HA H 55 4.181 4.181 4.087 0.094 19614 161 1 . 1 1 55 55 SER C C 55 177.381 177.381 176.691 0.690 19614 162 1 . 1 1 55 55 SER CA C 55 61.568 61.568 62.343 -0.775 19614 163 1 . 1 1 55 55 SER CB C 55 62.527 62.527 63.072 -0.545 19614 164 1 . 1 1 55 55 SER H H 55 7.823 7.823 8.388 -0.565 19614 165 1 . 1 1 56 56 GLN N N 56 120.605 120.605 121.306 -0.701 19614 166 1 . 1 1 56 56 GLN HA H 56 4.087 4.087 4.150 -0.063 19614 167 1 . 1 1 56 56 GLN C C 56 178.904 178.904 178.084 0.820 19614 168 1 . 1 1 56 56 GLN CA C 56 58.679 58.679 58.275 0.404 19614 169 1 . 1 1 56 56 GLN CB C 56 28.669 28.669 28.304 0.365 19614 170 1 . 1 1 56 56 GLN H H 56 7.886 7.886 7.820 0.066 19614 171 1 . 1 1 57 57 LEU N N 57 120.488 120.488 122.969 -2.481 19614 172 1 . 1 1 57 57 LEU HA H 57 3.953 3.953 3.924 0.029 19614 173 1 . 1 1 57 57 LEU C C 57 177.406 177.406 178.335 -0.929 19614 174 1 . 1 1 57 57 LEU CA C 57 57.957 57.957 58.356 -0.399 19614 175 1 . 1 1 57 57 LEU CB C 57 41.486 41.486 41.887 -0.401 19614 176 1 . 1 1 57 57 LEU H H 57 8.845 8.845 8.306 0.539 19614 177 1 . 1 1 58 58 LYS N N 58 118.053 118.053 117.178 0.875 19614 178 1 . 1 1 58 58 LYS C C 58 176.891 176.891 179.086 -2.195 19614 179 1 . 1 1 58 58 LYS CA C 58 60.535 60.535 59.333 1.202 19614 180 1 . 1 1 58 58 LYS CB C 58 31.903 31.903 31.835 0.068 19614 181 1 . 1 1 58 58 LYS H H 58 8.145 8.145 8.153 -0.008 19614 182 1 . 1 1 59 59 THR N N 59 112.948 112.948 117.797 -4.849 19614 183 1 . 1 1 59 59 THR HA H 59 3.812 3.812 4.092 -0.280 19614 184 1 . 1 1 59 59 THR C C 59 176.273 176.273 176.659 -0.386 19614 185 1 . 1 1 59 59 THR CA C 59 66.367 66.367 66.728 -0.361 19614 186 1 . 1 1 59 59 THR CB C 59 68.902 68.902 68.755 0.147 19614 187 1 . 1 1 59 59 THR H H 59 7.393 7.393 7.714 -0.321 19614 188 1 . 1 1 60 60 LEU N N 60 120.435 120.435 121.564 -1.129 19614 189 1 . 1 1 60 60 LEU HA H 60 4.066 4.066 4.092 -0.026 19614 190 1 . 1 1 60 60 LEU C C 60 179.994 179.994 179.089 0.905 19614 191 1 . 1 1 60 60 LEU CA C 60 58.096 58.096 57.798 0.298 19614 192 1 . 1 1 60 60 LEU CB C 60 43.107 43.107 41.057 2.050 19614 193 1 . 1 1 60 60 LEU H H 60 8.005 8.005 8.449 -0.444 19614 194 1 . 1 1 61 61 ILE N N 61 120.041 120.041 119.863 0.178 19614 195 1 . 1 1 61 61 ILE HA H 61 3.934 3.934 3.675 0.259 19614 196 1 . 1 1 61 61 ILE C C 61 176.957 176.957 178.203 -1.246 19614 197 1 . 1 1 61 61 ILE CA C 61 60.979 60.979 63.805 -2.826 19614 198 1 . 1 1 61 61 ILE CB C 61 37.229 37.229 36.850 0.379 19614 199 1 . 1 1 61 61 ILE H H 61 8.847 8.847 8.181 0.666 19614 200 1 . 1 1 62 62 LEU N N 62 121.236 121.236 120.791 0.445 19614 201 1 . 1 1 62 62 LEU HA H 62 3.909 3.909 3.947 -0.038 19614 202 1 . 1 1 62 62 LEU C C 62 179.562 179.562 178.636 0.926 19614 203 1 . 1 1 62 62 LEU CA C 62 58.035 58.035 57.832 0.203 19614 204 1 . 1 1 62 62 LEU CB C 62 40.219 40.219 40.898 -0.679 19614 205 1 . 1 1 62 62 LEU H H 62 7.944 7.944 8.120 -0.176 19614 206 1 . 1 1 63 63 ASP N N 63 117.983 117.983 119.171 -1.188 19614 207 1 . 1 1 63 63 ASP HA H 63 4.458 4.458 4.392 0.066 19614 208 1 . 1 1 63 63 ASP C C 63 178.858 178.858 177.182 1.676 19614 209 1 . 1 1 63 63 ASP CA C 63 56.964 56.964 56.885 0.079 19614 210 1 . 1 1 63 63 ASP CB C 63 40.822 40.822 41.071 -0.249 19614 211 1 . 1 1 63 63 ASP H H 63 7.844 7.844 8.026 -0.182 19614 212 1 . 1 1 64 64 ALA N N 64 122.425 122.425 120.095 2.330 19614 213 1 . 1 1 64 64 ALA HA H 64 4.086 4.086 4.223 -0.137 19614 214 1 . 1 1 64 64 ALA C C 64 179.354 179.354 179.012 0.341 19614 215 1 . 1 1 64 64 ALA CA C 64 54.396 54.396 54.262 0.134 19614 216 1 . 1 1 64 64 ALA CB C 64 17.785 17.785 19.255 -1.470 19614 217 1 . 1 1 64 64 ALA H H 64 7.869 7.869 7.644 0.225 19614 218 1 . 1 1 65 65 LEU N N 65 116.489 116.489 115.760 0.729 19614 219 1 . 1 1 65 65 LEU HA H 65 4.222 4.222 4.256 -0.034 19614 220 1 . 1 1 65 65 LEU C C 65 176.661 176.661 176.646 0.015 19614 221 1 . 1 1 65 65 LEU CA C 65 54.642 54.642 55.107 -0.465 19614 222 1 . 1 1 65 65 LEU CB C 65 41.957 41.957 42.782 -0.825 19614 223 1 . 1 1 65 65 LEU H H 65 7.669 7.669 7.498 0.171 19614 224 1 . 1 1 66 66 LYS N N 66 118.229 118.229 116.675 1.554 19614 225 1 . 1 1 66 66 LYS HA H 66 4.058 4.058 4.004 0.054 19614 226 1 . 1 1 66 66 LYS C C 66 176.651 176.651 176.202 0.449 19614 227 1 . 1 1 66 66 LYS CA C 66 57.100 57.100 57.109 -0.009 19614 228 1 . 1 1 66 66 LYS CB C 66 30.249 30.249 29.490 0.759 19614 229 1 . 1 1 66 66 LYS H H 66 7.806 7.806 7.973 -0.167 19614 230 1 . 1 1 67 67 LYS N N 67 119.380 119.380 118.903 0.477 19614 231 1 . 1 1 67 67 LYS HA H 67 4.278 4.278 4.127 0.151 19614 232 1 . 1 1 67 67 LYS C C 67 176.163 176.163 176.580 -0.417 19614 233 1 . 1 1 67 67 LYS CA C 67 55.658 55.658 58.154 -2.496 19614 234 1 . 1 1 67 67 LYS CB C 67 33.462 33.462 33.075 0.387 19614 235 1 . 1 1 67 67 LYS H H 67 8.249 8.249 8.148 0.101 19614 236 1 . 1 1 68 68 ASP N N 68 120.812 120.812 114.895 5.917 19614 237 1 . 1 1 68 68 ASP HA H 68 4.601 4.601 4.693 -0.092 19614 238 1 . 1 1 68 68 ASP C C 68 177.001 177.001 175.354 1.647 19614 239 1 . 1 1 68 68 ASP CA C 68 54.192 54.192 53.847 0.345 19614 240 1 . 1 1 68 68 ASP CB C 68 41.383 41.383 42.929 -1.546 19614 241 1 . 1 1 68 68 ASP H H 68 8.350 8.350 7.821 0.529 19614 242 1 . 1 1 69 69 SER N N 69 119.061 119.061 118.049 1.012 19614 243 1 . 1 1 69 69 SER HA H 69 4.199 4.199 4.460 -0.261 19614 244 1 . 1 1 69 69 SER C C 69 175.643 175.643 175.842 -0.199 19614 245 1 . 1 1 69 69 SER CA C 69 59.636 59.636 60.174 -0.538 19614 246 1 . 1 1 69 69 SER CB C 69 63.237 63.237 63.713 -0.476 19614 247 1 . 1 1 69 69 SER H H 69 8.608 8.608 8.624 -0.016 19614 248 1 . 1 1 70 70 SER N N 70 118.325 118.325 117.979 0.346 19614 249 1 . 1 1 70 70 SER HA H 70 4.335 4.335 4.322 0.013 19614 250 1 . 1 1 70 70 SER C C 70 175.275 175.275 175.948 -0.673 19614 251 1 . 1 1 70 70 SER CA C 70 59.700 59.700 61.474 -1.774 19614 252 1 . 1 1 70 70 SER CB C 70 63.243 63.243 63.229 0.015 19614 253 1 . 1 1 70 70 SER H H 70 8.514 8.514 8.772 -0.258 19614 254 1 . 1 1 71 71 ARG N N 71 121.317 121.317 119.029 2.288 19614 255 1 . 1 1 71 71 ARG HA H 71 4.231 4.231 4.222 0.009 19614 256 1 . 1 1 71 71 ARG C C 71 176.223 176.223 177.828 -1.605 19614 257 1 . 1 1 71 71 ARG CA C 71 56.368 56.368 57.735 -1.367 19614 258 1 . 1 1 71 71 ARG CB C 71 30.148 30.148 29.325 0.823 19614 259 1 . 1 1 71 71 ARG H H 71 7.965 7.965 8.320 -0.355 19614 260 1 . 1 1 72 72 HIS N N 72 118.894 118.894 119.082 -0.188 19614 261 1 . 1 1 72 72 HIS HA H 72 4.663 4.663 4.425 0.238 19614 262 1 . 1 1 72 72 HIS C C 72 175.122 175.122 176.202 -1.080 19614 263 1 . 1 1 72 72 HIS CA C 72 55.935 55.935 58.447 -2.512 19614 264 1 . 1 1 72 72 HIS CB C 72 29.974 29.974 30.123 -0.149 19614 265 1 . 1 1 72 72 HIS H H 72 8.036 8.036 7.775 0.261 19614 266 1 . 1 1 73 73 SER N N 73 116.302 116.302 113.954 2.348 19614 267 1 . 1 1 73 73 SER HA H 73 4.313 4.313 4.341 -0.028 19614 268 1 . 1 1 73 73 SER C C 73 174.559 174.559 174.553 0.006 19614 269 1 . 1 1 73 73 SER CA C 73 59.297 59.297 59.792 -0.495 19614 270 1 . 1 1 73 73 SER CB C 73 63.522 63.522 63.103 0.419 19614 271 1 . 1 1 73 73 SER H H 73 8.029 8.029 7.906 0.123 19614 272 1 . 1 1 74 74 LYS N N 74 122.545 122.545 121.142 1.403 19614 273 1 . 1 1 74 74 LYS HA H 74 4.336 4.336 4.458 -0.122 19614 274 1 . 1 1 74 74 LYS C C 74 175.929 175.929 175.137 0.792 19614 275 1 . 1 1 74 74 LYS CA C 74 55.918 55.918 54.982 0.936 19614 276 1 . 1 1 74 74 LYS CB C 74 32.143 32.143 32.686 -0.543 19614 277 1 . 1 1 74 74 LYS H H 74 8.394 8.394 7.480 0.914 19614 278 1 . 1 1 75 75 LEU N N 75 123.393 123.393 122.704 0.689 19614 279 1 . 1 1 75 75 LEU HA H 75 4.402 4.402 4.358 0.044 19614 280 1 . 1 1 75 75 LEU C C 75 176.575 176.575 176.545 0.030 19614 281 1 . 1 1 75 75 LEU CA C 75 54.697 54.697 54.549 0.148 19614 282 1 . 1 1 75 75 LEU CB C 75 43.481 43.481 42.351 1.130 19614 283 1 . 1 1 75 75 LEU H H 75 7.943 7.943 7.599 0.344 19614 284 1 . 1 1 76 76 GLU N N 76 123.357 123.357 124.207 -0.850 19614 285 1 . 1 1 76 76 GLU HA H 76 4.551 4.551 4.422 0.129 19614 286 1 . 1 1 76 76 GLU C C 76 177.445 177.445 176.963 0.482 19614 287 1 . 1 1 76 76 GLU CA C 76 54.962 54.962 55.386 -0.424 19614 288 1 . 1 1 76 76 GLU CB C 76 31.245 31.245 30.869 0.376 19614 289 1 . 1 1 76 76 GLU H H 76 9.136 9.136 8.432 0.704 19614 290 1 . 1 1 77 77 LYS N N 77 122.655 122.655 123.931 -1.276 19614 291 1 . 1 1 77 77 LYS HA H 77 3.830 3.830 3.893 -0.063 19614 292 1 . 1 1 77 77 LYS C C 77 177.908 177.908 178.279 -0.371 19614 293 1 . 1 1 77 77 LYS CA C 77 61.105 61.105 60.221 0.884 19614 294 1 . 1 1 77 77 LYS CB C 77 32.423 32.423 32.275 0.148 19614 295 1 . 1 1 77 77 LYS H H 77 8.858 8.858 8.836 0.022 19614 296 1 . 1 1 78 78 ALA N N 78 118.008 118.008 118.880 -0.872 19614 297 1 . 1 1 78 78 ALA HA H 78 3.892 3.892 4.153 -0.261 19614 298 1 . 1 1 78 78 ALA C C 78 179.758 179.758 179.678 0.080 19614 299 1 . 1 1 78 78 ALA CA C 78 55.456 55.456 54.768 0.688 19614 300 1 . 1 1 78 78 ALA CB C 78 17.839 17.839 17.980 -0.141 19614 301 1 . 1 1 78 78 ALA H H 78 9.131 9.131 8.414 0.717 19614 302 1 . 1 1 79 79 ASP N N 79 114.744 114.744 119.437 -4.693 19614 303 1 . 1 1 79 79 ASP HA H 79 4.346 4.346 4.530 -0.184 19614 304 1 . 1 1 79 79 ASP C C 79 178.104 178.104 178.474 -0.370 19614 305 1 . 1 1 79 79 ASP CA C 79 57.088 57.088 56.940 0.148 19614 306 1 . 1 1 79 79 ASP CB C 79 41.728 41.728 41.029 0.699 19614 307 1 . 1 1 79 79 ASP H H 79 7.052 7.052 7.769 -0.717 19614 308 1 . 1 1 80 80 ILE N N 80 119.398 119.398 120.977 -1.579 19614 309 1 . 1 1 80 80 ILE HA H 80 3.592 3.592 3.636 -0.044 19614 310 1 . 1 1 80 80 ILE C C 80 179.567 179.567 178.062 1.505 19614 311 1 . 1 1 80 80 ILE CA C 80 64.201 64.201 65.632 -1.432 19614 312 1 . 1 1 80 80 ILE CB C 80 37.514 37.514 38.004 -0.490 19614 313 1 . 1 1 80 80 ILE H H 80 7.983 7.983 8.130 -0.147 19614 314 1 . 1 1 81 81 LEU N N 81 120.930 120.930 119.849 1.081 19614 315 1 . 1 1 81 81 LEU HA H 81 3.931 3.931 3.880 0.051 19614 316 1 . 1 1 81 81 LEU C C 81 178.312 178.312 178.983 -0.671 19614 317 1 . 1 1 81 81 LEU CA C 81 58.588 58.588 58.442 0.146 19614 318 1 . 1 1 81 81 LEU CB C 81 41.727 41.727 41.215 0.512 19614 319 1 . 1 1 81 81 LEU H H 81 8.171 8.171 8.226 -0.055 19614 320 1 . 1 1 82 82 GLU N N 82 119.314 119.314 119.308 0.006 19614 321 1 . 1 1 82 82 GLU HA H 82 3.917 3.917 3.938 -0.021 19614 322 1 . 1 1 82 82 GLU C C 82 180.151 180.151 178.859 1.292 19614 323 1 . 1 1 82 82 GLU CA C 82 59.864 59.864 59.324 0.540 19614 324 1 . 1 1 82 82 GLU CB C 82 29.364 29.364 29.536 -0.172 19614 325 1 . 1 1 82 82 GLU H H 82 7.984 7.984 7.851 0.133 19614 326 1 . 1 1 83 83 MET N N 83 118.669 118.669 119.318 -0.649 19614 327 1 . 1 1 83 83 MET HA H 83 4.033 4.033 4.183 -0.150 19614 328 1 . 1 1 83 83 MET C C 83 178.488 178.488 178.336 0.152 19614 329 1 . 1 1 83 83 MET CA C 83 59.083 59.083 58.598 0.485 19614 330 1 . 1 1 83 83 MET CB C 83 33.883 33.883 32.424 1.459 19614 331 1 . 1 1 83 83 MET H H 83 8.639 8.639 7.919 0.720 19614 332 1 . 1 1 84 84 THR N N 84 118.733 118.733 116.750 1.983 19614 333 1 . 1 1 84 84 THR HA H 84 3.853 3.853 4.068 -0.215 19614 334 1 . 1 1 84 84 THR C C 84 175.659 175.659 176.698 -1.039 19614 335 1 . 1 1 84 84 THR CA C 84 68.029 68.029 66.927 1.102 19614 336 1 . 1 1 84 84 THR CB C 84 67.595 67.595 68.617 -1.022 19614 337 1 . 1 1 84 84 THR H H 84 7.946 7.946 7.784 0.162 19614 338 1 . 1 1 85 85 VAL N N 85 122.083 122.083 121.829 0.254 19614 339 1 . 1 1 85 85 VAL HA H 85 3.311 3.311 3.624 -0.313 19614 340 1 . 1 1 85 85 VAL C C 85 177.078 177.078 177.686 -0.608 19614 341 1 . 1 1 85 85 VAL CA C 85 67.381 67.381 66.620 0.761 19614 342 1 . 1 1 85 85 VAL CB C 85 32.168 32.168 31.242 0.926 19614 343 1 . 1 1 85 85 VAL H H 85 8.089 8.089 7.850 0.239 19614 344 1 . 1 1 86 86 LYS N N 86 117.409 117.409 118.931 -1.522 19614 345 1 . 1 1 86 86 LYS HA H 86 3.835 3.835 3.982 -0.147 19614 346 1 . 1 1 86 86 LYS C C 86 178.617 178.617 179.006 -0.389 19614 347 1 . 1 1 86 86 LYS CA C 86 60.014 60.014 59.674 0.340 19614 348 1 . 1 1 86 86 LYS CB C 86 32.336 32.336 32.113 0.223 19614 349 1 . 1 1 86 86 LYS H H 86 7.785 7.785 8.504 -0.719 19614 350 1 . 1 1 87 87 HIS N N 87 118.731 118.731 119.294 -0.563 19614 351 1 . 1 1 87 87 HIS HA H 87 4.513 4.513 4.393 0.120 19614 352 1 . 1 1 87 87 HIS C C 87 177.356 177.356 177.259 0.097 19614 353 1 . 1 1 87 87 HIS CA C 87 59.368 59.368 58.787 0.581 19614 354 1 . 1 1 87 87 HIS CB C 87 32.047 32.047 30.077 1.970 19614 355 1 . 1 1 87 87 HIS H H 87 8.055 8.055 8.095 -0.040 19614 356 1 . 1 1 88 88 LEU N N 88 117.189 117.189 120.459 -3.270 19614 357 1 . 1 1 88 88 LEU C C 88 180.158 180.158 178.636 1.522 19614 358 1 . 1 1 88 88 LEU CA C 88 57.927 57.927 57.983 -0.056 19614 359 1 . 1 1 88 88 LEU CB C 88 41.748 41.748 41.411 0.338 19614 360 1 . 1 1 88 88 LEU H H 88 8.450 8.450 7.946 0.504 19614 361 1 . 1 1 89 89 ARG N N 89 119.542 119.542 119.265 0.277 19614 362 1 . 1 1 89 89 ARG HA H 89 3.901 3.901 3.954 -0.053 19614 363 1 . 1 1 89 89 ARG C C 89 178.875 178.875 178.846 0.029 19614 364 1 . 1 1 89 89 ARG CA C 89 59.667 59.667 58.604 1.063 19614 365 1 . 1 1 89 89 ARG CB C 89 29.542 29.542 29.058 0.484 19614 366 1 . 1 1 89 89 ARG H H 89 8.616 8.616 7.909 0.707 19614 367 1 . 1 1 90 90 ASN N N 90 118.676 118.676 118.840 -0.164 19614 368 1 . 1 1 90 90 ASN HA H 90 4.478 4.478 4.469 0.009 19614 369 1 . 1 1 90 90 ASN C C 90 177.824 177.824 177.906 -0.082 19614 370 1 . 1 1 90 90 ASN CA C 90 55.393 55.393 55.835 -0.442 19614 371 1 . 1 1 90 90 ASN CB C 90 37.874 37.874 38.088 -0.214 19614 372 1 . 1 1 90 90 ASN H H 90 7.935 7.935 7.811 0.124 19614 373 1 . 1 1 91 91 LEU N N 91 119.885 119.885 120.240 -0.355 19614 374 1 . 1 1 91 91 LEU HA H 91 4.045 4.045 4.016 0.029 19614 375 1 . 1 1 91 91 LEU C C 91 178.707 178.707 179.229 -0.522 19614 376 1 . 1 1 91 91 LEU CA C 91 56.705 56.705 57.599 -0.894 19614 377 1 . 1 1 91 91 LEU CB C 91 41.918 41.918 41.634 0.284 19614 378 1 . 1 1 91 91 LEU H H 91 7.890 7.890 8.269 -0.379 19614 379 1 . 1 1 92 92 GLN N N 92 118.288 118.288 117.807 0.481 19614 380 1 . 1 1 92 92 GLN HA H 92 4.149 4.149 4.116 0.033 19614 381 1 . 1 1 92 92 GLN C C 92 176.562 176.562 177.938 -1.375 19614 382 1 . 1 1 92 92 GLN CA C 92 57.055 57.055 58.297 -1.242 19614 383 1 . 1 1 92 92 GLN CB C 92 28.937 28.937 28.661 0.276 19614 384 1 . 1 1 92 92 GLN H H 92 7.683 7.683 8.175 -0.492 19614 385 1 . 1 1 93 93 ARG N N 93 119.664 119.664 116.179 3.485 19614 386 1 . 1 1 93 93 ARG HA H 93 4.238 4.238 4.481 -0.243 19614 387 1 . 1 1 93 93 ARG C C 93 175.928 175.928 176.607 -0.679 19614 388 1 . 1 1 93 93 ARG CA C 93 56.467 56.467 56.047 0.420 19614 389 1 . 1 1 93 93 ARG CB C 93 30.459 30.459 29.510 0.949 19614 390 1 . 1 1 93 93 ARG H H 93 7.786 7.786 7.887 -0.101 19614 391 1 . 1 1 94 94 ALA N N 94 124.562 124.562 122.280 2.282 19614 392 1 . 1 1 94 94 ALA HA H 94 4.308 4.308 4.294 0.014 19614 393 1 . 1 1 94 94 ALA C C 94 176.753 176.753 176.953 -0.200 19614 394 1 . 1 1 94 94 ALA CA C 94 52.465 52.465 52.901 -0.436 19614 395 1 . 1 1 94 94 ALA CB C 94 19.023 19.023 18.959 0.064 19614 396 1 . 1 1 94 94 ALA H H 94 8.017 8.017 7.863 0.154 19614 stop_ save_